#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg5 s ILE 37 N 0.00 4.19 -0.11 -0.39 1.01 -1.26 -4.94 121.20 119.70 3bg5 s ILE 37 Ca 0.00 -1.91 -0.26 0.00 0.00 0.00 0.00 60.65 58.48 3bg5 s ILE 37 Cb 0.00 -3.75 -0.28 0.00 0.01 0.00 0.00 42.46 38.44 3bg5 s ILE 37 CO 0.00 -0.79 0.80 0.11 0.00 0.00 0.00 174.94 175.06 3bg5 h LYS 38 N 8.31 0.11 -5.67 2.79 1.79 -1.95 -3.46 116.57 118.49 3bg5 h LYS 38 Ca -0.18 -0.19 -0.51 0.00 -2.18 0.00 0.00 60.65 57.59 3bg5 h LYS 38 Cb 1.06 0.07 -0.26 0.00 -1.58 0.00 0.00 32.23 31.52 3bg5 h LYS 38 CO 0.84 1.09 -0.82 0.21 -1.08 0.00 0.00 179.45 179.69 3bg5 s LYS 39 N -2.30 1.18 -0.02 3.15 2.20 -1.26 -1.46 119.74 121.23 3bg5 s LYS 39 Ca -0.17 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.64 3bg5 s LYS 39 Cb -0.01 -1.23 0.01 0.00 -1.51 0.00 0.00 37.83 35.09 3bg5 s LYS 39 CO 0.74 0.31 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.85 3bg5 s LEU 40 N -1.03 1.66 -0.03 5.43 0.20 0.14 -1.48 118.68 123.58 3bg5 s LEU 40 Ca 0.05 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.84 3bg5 s LEU 40 Cb -0.08 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.43 3bg5 s LEU 40 CO 0.01 -0.01 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.73 3bg5 s LEU 41 N 0.38 2.93 -0.35 -0.68 0.20 -0.40 -0.21 118.68 120.54 3bg5 s LEU 41 Ca -0.04 -0.17 -0.06 0.00 0.69 0.00 0.00 54.13 54.55 3bg5 s LEU 41 Cb -0.07 -1.65 0.05 0.00 -0.43 0.00 0.00 46.19 44.09 3bg5 s LEU 41 CO -0.01 0.32 0.13 -0.69 -0.29 0.00 0.00 176.35 175.81 3bg5 s VAL 42 N -0.84 3.79 -1.50 1.68 1.01 -0.79 -0.99 120.40 122.75 3bg5 s VAL 42 Ca 0.14 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 3bg5 s VAL 42 Cb -0.11 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 3bg5 s VAL 42 CO 0.03 -0.25 2.95 0.00 0.00 0.00 0.00 175.10 177.84 3bg5 n ALA 43 N 4.81 7.44 -3.00 5.51 0.00 -0.97 -3.97 120.51 130.33 3bg5 n ALA 43 Ca -0.12 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3bg5 n ALA 43 Cb 0.44 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.64 3bg5 n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bg5 n ASN 44 N 3.32 0.00 -3.58 0.00 5.15 -1.26 -4.69 115.26 114.21 3bg5 n ASN 44 Ca 0.75 -0.74 -0.12 0.00 -0.60 0.00 0.00 54.58 53.87 3bg5 n ASN 44 Cb 0.27 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.47 3bg5 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bg5 s ARG 45 N -1.21 1.73 3.23 1.20 1.70 -1.26 -4.60 118.95 119.74 3bg5 s ARG 45 Ca 0.00 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 53.69 3bg5 s ARG 45 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 3bg5 s ARG 45 CO 0.00 -0.71 0.00 0.41 -1.08 0.00 0.00 175.30 173.92 3bg5 n GLY 46 N -0.47 0.30 0.34 3.88 0.00 -1.26 -3.29 105.19 104.69 3bg5 n GLY 46 Ca -0.00 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.20 3bg5 n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bg5 h GLU 47 N 0.00 0.87 -0.38 1.61 -0.00 -1.87 -2.22 114.58 112.60 3bg5 h GLU 47 Ca 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 59.36 59.20 3bg5 h GLU 47 Cb 0.00 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 28.54 3bg5 h GLU 47 CO 0.00 0.58 -0.19 0.97 -0.00 0.00 0.00 179.01 180.37 3bg5 h ILE 48 N 0.90 1.26 -0.52 -1.06 6.09 -1.89 0.14 117.51 122.43 3bg5 h ILE 48 Ca 0.46 -1.26 -0.04 0.00 -1.37 0.00 0.00 64.86 62.65 3bg5 h ILE 48 Cb 0.46 1.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.91 3bg5 h ILE 48 CO -0.27 0.42 0.17 0.00 -3.07 0.00 0.00 178.15 175.41 3bg5 h ALA 49 N 1.15 0.68 -0.06 0.18 0.00 -1.41 -0.94 119.26 118.86 3bg5 h ALA 49 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bg5 h ALA 49 Cb 0.67 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3bg5 h ALA 49 CO 0.05 0.33 0.04 0.82 0.00 0.00 0.00 179.25 180.48 3bg5 h ILE 50 N 0.71 1.07 -0.37 0.00 2.04 -0.86 -0.79 117.51 119.30 3bg5 h ILE 50 Ca 0.17 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3bg5 h ILE 50 Cb 0.26 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3bg5 h ILE 50 CO -0.01 0.06 0.13 -0.09 0.00 0.00 0.00 178.15 178.24 3bg5 h ARG 51 N 0.03 0.27 -0.26 2.37 9.65 -0.60 -1.72 114.38 124.11 3bg5 h ARG 51 Ca 0.02 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3bg5 h ARG 51 Cb 0.06 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3bg5 h ARG 51 CO -0.00 0.18 0.14 0.82 2.80 0.00 0.00 179.97 183.90 3bg5 h ILE 52 N 0.28 1.13 -0.78 1.20 2.04 -1.03 -1.37 117.51 118.98 3bg5 h ILE 52 Ca 0.17 -0.37 0.13 0.00 1.00 0.00 0.00 64.86 65.79 3bg5 h ILE 52 Cb 0.15 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 3bg5 h ILE 52 CO -0.18 0.13 0.37 -0.26 0.00 0.00 0.00 178.15 178.22 3bg5 h PHE 53 N 0.30 0.65 -0.55 1.37 0.05 -0.73 0.63 116.94 118.66 3bg5 h PHE 53 Ca 0.09 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.88 3bg5 h PHE 53 Cb 0.09 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 37.85 3bg5 h PHE 53 CO -0.03 0.16 0.22 0.00 -0.18 0.00 0.00 178.31 178.48 3bg5 h ARG 54 N 0.56 0.83 0.04 1.51 3.08 -0.88 0.14 114.38 119.66 3bg5 h ARG 54 Ca 0.42 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3bg5 h ARG 54 Cb 0.57 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3bg5 h ARG 54 CO -0.35 0.72 -0.02 0.00 -1.07 0.00 0.00 179.97 179.25 3bg5 h ALA 55 N 1.07 -0.06 -0.79 0.04 0.00 -0.07 -2.24 119.26 117.21 3bg5 h ALA 55 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3bg5 h ALA 55 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3bg5 h ALA 55 CO -0.01 -0.52 0.43 0.00 0.00 0.00 0.00 179.25 179.15 3bg5 h ALA 56 N 0.87 1.02 -0.19 0.00 0.00 -0.76 -2.83 119.26 117.37 3bg5 h ALA 56 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3bg5 h ALA 56 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3bg5 h ALA 56 CO 0.01 0.53 0.01 0.00 0.00 0.00 0.00 179.25 179.80 3bg5 h ALA 57 N 1.23 0.17 -0.06 0.00 0.00 -0.53 -0.28 119.26 119.79 3bg5 h ALA 57 Ca 0.28 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3bg5 h ALA 57 Cb 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3bg5 h ALA 57 CO -0.04 -0.43 0.20 0.93 0.00 0.00 0.00 179.25 179.91 3bg5 h GLU 58 N 0.07 0.00 -0.65 0.00 5.08 -1.21 0.16 114.58 118.03 3bg5 h GLU 58 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bg5 h GLU 58 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3bg5 h GLU 58 CO -0.14 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.15 3bg5 n LEU 59 N -3.19 4.25 -4.02 1.33 4.77 -0.43 -4.93 117.00 114.78 3bg5 n LEU 59 Ca -0.01 -2.14 -0.31 0.00 -0.03 0.00 0.00 56.01 53.52 3bg5 n LEU 59 Cb 0.27 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3bg5 n LEU 59 CO 0.19 0.76 -0.01 0.47 -1.33 0.00 0.00 177.39 177.47 3bg5 n ASP 60 N 1.06 -3.29 -4.50 -1.43 9.92 0.56 -4.97 116.55 113.90 3bg5 n ASP 60 Ca 0.23 -0.90 -0.35 0.00 -0.53 0.00 0.00 54.79 53.24 3bg5 n ASP 60 Cb 0.79 -3.36 -0.12 0.00 -0.64 0.00 0.00 41.12 37.79 3bg5 n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3bg5 s ILE 61 N -3.43 4.14 0.38 0.53 1.01 -0.25 -5.02 121.20 118.57 3bg5 s ILE 61 Ca 0.54 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.67 3bg5 s ILE 61 Cb -0.28 -2.86 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 3bg5 s ILE 61 CO 0.87 0.45 1.23 -0.55 0.00 0.00 0.00 174.94 176.94 3bg5 s SER 62 N 0.74 6.54 0.16 3.58 0.15 -0.54 -3.94 113.70 120.40 3bg5 s SER 62 Ca 0.01 2.50 0.11 0.00 0.70 0.00 0.00 55.95 59.27 3bg5 s SER 62 Cb -0.14 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 3bg5 s SER 62 CO 0.02 -0.68 -0.24 0.42 1.20 0.00 0.00 173.24 173.96 3bg5 s THR 63 N -1.30 2.20 -0.04 6.45 -4.23 -1.26 0.26 115.64 117.73 3bg5 s THR 63 Ca 0.55 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3bg5 s THR 63 Cb -0.35 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.52 3bg5 s THR 63 CO 0.45 -0.07 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.74 3bg5 s VAL 64 N -1.49 0.41 0.24 2.29 1.01 0.71 -1.78 120.40 121.79 3bg5 s VAL 64 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.16 3bg5 s VAL 64 Cb -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3bg5 s VAL 64 CO 0.08 0.20 0.29 0.00 0.00 0.00 0.00 175.10 175.67 3bg5 s ALA 65 N 1.00 3.79 0.08 5.51 0.00 0.32 -1.89 121.76 130.56 3bg5 s ALA 65 Ca -0.10 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 50.65 3bg5 s ALA 65 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3bg5 s ALA 65 CO -0.01 0.26 -0.25 0.96 0.00 0.00 0.00 175.76 176.72 3bg5 s ILE 66 N -2.03 2.05 0.04 0.00 -4.36 -1.25 -1.93 121.20 113.72 3bg5 s ILE 66 Ca 0.33 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 3bg5 s ILE 66 Cb -0.09 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 3bg5 s ILE 66 CO 0.27 0.21 -0.04 -0.72 0.24 0.00 0.00 174.94 174.90 3bg5 s TYR 67 N -0.92 0.44 0.65 1.37 1.13 -0.89 -4.86 117.35 114.27 3bg5 s TYR 67 Ca 0.11 -0.65 -0.00 0.00 -1.41 0.00 0.00 57.07 55.12 3bg5 s TYR 67 Cb -0.10 -0.29 0.08 0.00 -1.10 0.00 0.00 41.96 40.55 3bg5 s TYR 67 CO 0.03 -0.20 0.90 -1.54 -2.51 0.00 0.00 175.55 172.24 3bg5 s SER 68 N -1.86 4.79 0.15 -0.18 1.04 -1.26 -1.59 113.70 114.79 3bg5 s SER 68 Ca -0.09 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.04 3bg5 s SER 68 Cb -0.06 -0.47 0.06 0.00 0.10 0.00 0.00 66.02 65.65 3bg5 s SER 68 CO -0.03 -1.53 1.76 0.78 0.98 0.00 0.00 173.24 175.20 3bg5 h ASN 69 N -0.28 0.17 0.53 7.02 -0.26 -1.89 -1.57 115.58 119.30 3bg5 h ASN 69 Ca -0.39 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 3bg5 h ASN 69 Cb 1.28 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 3bg5 h ASN 69 CO 0.47 0.13 0.00 -0.33 -1.06 0.00 0.00 177.43 176.64 3bg5 h GLU 70 N 0.30 0.00 -0.41 0.81 4.39 -1.97 -2.54 114.58 115.15 3bg5 h GLU 70 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3bg5 h GLU 70 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3bg5 h GLU 70 CO -0.15 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.45 3bg5 n ASP 71 N -2.52 3.09 -0.53 1.42 8.00 -0.61 -4.59 116.55 120.82 3bg5 n ASP 71 Ca 0.00 -1.95 0.43 0.00 0.71 0.00 0.00 54.79 53.99 3bg5 n ASP 71 Cb 0.18 -0.27 0.70 0.00 -0.02 0.00 0.00 41.12 41.71 3bg5 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bg5 n LYS 72 N 1.23 -0.02 -1.17 -1.24 4.76 -0.96 -0.07 118.16 120.69 3bg5 n LYS 72 Ca 0.19 1.16 -0.01 0.00 -2.87 0.00 0.00 58.31 56.78 3bg5 n LYS 72 Cb 0.53 -2.40 0.13 0.00 -1.84 0.00 0.00 35.03 31.46 3bg5 n LYS 72 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3bg5 n SER 73 N -4.40 2.31 -4.76 4.39 7.64 -1.26 -5.03 113.62 112.50 3bg5 n SER 73 Ca 0.40 -3.49 -0.40 0.00 1.01 0.00 0.00 58.87 56.39 3bg5 n SER 73 Cb 1.65 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 64.34 3bg5 n SER 73 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3bg5 s SER 74 N -3.17 7.53 0.25 6.43 0.15 0.90 -4.87 113.70 120.92 3bg5 s SER 74 Ca 0.40 1.81 -0.05 0.00 0.70 0.00 0.00 55.95 58.81 3bg5 s SER 74 Cb 0.38 -2.56 0.28 0.00 -1.71 0.00 0.00 66.02 62.40 3bg5 s SER 74 CO -0.06 0.17 1.87 -0.07 1.20 0.00 0.00 173.24 176.35 3bg5 h LEU 75 N 4.29 1.06 -1.94 3.45 3.38 -1.89 -2.63 115.31 121.02 3bg5 h LEU 75 Ca -0.46 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 57.59 3bg5 h LEU 75 Cb 1.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3bg5 h LEU 75 CO 0.67 0.85 0.53 1.12 0.09 0.00 0.00 178.44 181.71 3bg5 h HIS 76 N 1.18 0.00 -0.09 1.13 2.07 -1.91 0.93 115.15 118.47 3bg5 h HIS 76 Ca 0.30 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.81 3bg5 h HIS 76 Cb 0.04 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.01 3bg5 h HIS 76 CO 0.01 0.00 0.03 -0.09 -3.07 0.00 0.00 177.93 174.81 3bg5 h ARG 77 N 0.00 0.12 -0.02 5.12 2.43 -1.82 -2.75 114.38 117.46 3bg5 h ARG 77 Ca 0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3bg5 h ARG 77 Cb 1.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3bg5 h ARG 77 CO -0.00 0.11 -0.30 0.66 -1.51 0.00 0.00 179.97 178.92 3bg5 n TYR 78 N -4.49 0.00 0.35 2.20 4.02 0.32 -4.28 117.16 115.28 3bg5 n TYR 78 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.99 3bg5 n TYR 78 Cb 0.11 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3bg5 n TYR 78 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3bg5 n LYS 79 N 0.07 0.43 -2.45 -0.72 4.76 -1.04 -4.92 118.16 114.29 3bg5 n LYS 79 Ca 0.12 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.33 3bg5 n LYS 79 Cb 0.45 -1.65 0.05 0.00 -1.84 0.00 0.00 35.03 32.04 3bg5 n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bg5 s ALA 80 N -3.29 3.58 0.19 7.82 0.00 -1.25 -4.93 121.76 123.87 3bg5 s ALA 80 Ca 0.01 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.82 3bg5 s ALA 80 Cb 0.13 -2.30 0.08 0.00 0.00 0.00 0.00 23.12 21.03 3bg5 s ALA 80 CO 0.81 -1.00 1.44 -0.44 0.00 0.00 0.00 175.76 176.57 3bg5 h ASP 81 N -0.23 0.34 -4.45 0.00 3.32 -1.84 -3.46 116.42 110.11 3bg5 h ASP 81 Ca -0.43 -0.24 -0.31 0.00 0.02 0.00 0.00 57.03 56.07 3bg5 h ASP 81 Cb 1.30 -0.10 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 3bg5 h ASP 81 CO 0.55 0.98 -0.73 -1.61 -1.72 0.00 0.00 179.24 176.71 3bg5 s GLU 82 N -3.50 0.81 0.00 3.56 2.02 -0.74 -5.02 118.70 115.83 3bg5 s GLU 82 Ca -0.04 -1.11 -0.07 0.00 0.02 0.00 0.00 54.97 53.77 3bg5 s GLU 82 Cb 0.11 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.84 3bg5 s GLU 82 CO 0.82 0.08 0.13 -1.54 0.02 0.00 0.00 175.26 174.78 3bg5 s SER 83 N -2.34 0.02 -0.01 -0.19 1.04 -1.26 -0.53 113.70 110.44 3bg5 s SER 83 Ca 0.04 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.28 3bg5 s SER 83 Cb -0.04 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3bg5 s SER 83 CO -0.00 -0.35 -0.02 -0.31 0.98 0.00 0.00 173.24 173.54 3bg5 s TYR 84 N -1.32 0.29 0.17 5.02 1.51 -0.81 -4.94 117.35 117.27 3bg5 s TYR 84 Ca -0.14 -0.03 -0.31 0.00 -1.01 0.00 0.00 57.07 55.57 3bg5 s TYR 84 Cb -0.07 -0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.42 3bg5 s TYR 84 CO 0.01 -0.05 1.48 -1.17 -1.11 0.00 0.00 175.55 174.71 3bg5 s LEU 85 N 0.32 4.38 0.35 -1.29 2.96 -1.26 -2.09 118.68 122.05 3bg5 s LEU 85 Ca -0.03 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 3bg5 s LEU 85 Cb -0.06 -3.60 0.65 0.00 0.50 0.00 0.00 46.19 43.68 3bg5 s LEU 85 CO -0.01 -0.74 1.96 0.58 -1.32 0.00 0.00 176.35 176.82 3bg5 h VAL 86 N 3.95 1.17 0.00 1.68 2.07 -1.65 -3.47 116.25 119.99 3bg5 h VAL 86 Ca -0.43 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3bg5 h VAL 86 Cb 1.21 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3bg5 h VAL 86 CO 0.86 0.20 0.00 0.61 0.02 0.00 0.00 177.57 179.26 3bg5 n GLY 87 N -1.20 4.32 3.47 2.17 0.00 -1.26 -4.94 105.19 107.75 3bg5 n GLY 87 Ca 0.04 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 3bg5 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bg5 s SER 88 N 0.00 6.85 0.00 1.61 0.01 -1.26 -4.02 113.70 116.90 3bg5 s SER 88 Ca 0.00 -2.50 0.00 0.00 1.31 0.00 0.00 55.95 54.76 3bg5 s SER 88 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3bg5 s SER 88 CO 0.00 -0.95 0.00 -0.90 0.41 0.00 0.00 173.24 171.80 3bg5 n ASP 89 N 6.41 0.00 -4.21 2.44 5.75 -1.26 -5.13 116.55 120.56 3bg5 n ASP 89 Ca 0.33 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.87 3bg5 n ASP 89 Cb 0.46 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.41 3bg5 n ASP 89 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3bg5 s LEU 90 N -1.06 2.15 0.98 -2.12 1.43 -1.26 -5.16 118.68 113.65 3bg5 s LEU 90 Ca 0.00 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3bg5 s LEU 90 Cb 0.00 -0.85 0.19 0.00 0.03 0.00 0.00 46.19 45.57 3bg5 s LEU 90 CO 0.00 0.13 1.26 -0.83 0.23 0.00 0.00 176.35 177.14 3bg5 s GLY 91 N -1.09 1.72 0.42 -3.19 0.00 -1.26 -4.74 107.32 99.18 3bg5 s GLY 91 Ca 0.06 -1.05 0.20 0.00 0.00 0.00 0.00 44.72 43.92 3bg5 s GLY 91 CO 0.01 -0.31 1.82 -0.56 0.00 0.00 0.00 173.10 174.06 3bg5 h PRO 92 N -1.70 0.35 0.04 2.90 0.13 -1.98 -2.21 132.00 129.52 3bg5 h PRO 92 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3bg5 h PRO 92 Cb 1.26 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3bg5 h PRO 92 CO 0.42 0.23 -0.14 0.00 -0.23 0.00 0.00 178.00 178.28 3bg5 h ALA 93 N 1.60 -0.69 -0.37 -0.56 0.00 -1.92 -3.18 119.26 114.14 3bg5 h ALA 93 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3bg5 h ALA 93 Cb 1.38 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3bg5 h ALA 93 CO -0.20 -0.72 0.00 -1.91 0.00 0.00 0.00 179.25 176.42 3bg5 n GLU 94 N -3.25 2.29 0.02 0.00 4.07 -1.03 -4.35 120.64 118.39 3bg5 n GLU 94 Ca -0.02 -1.52 -0.13 0.00 -0.06 0.00 0.00 57.16 55.42 3bg5 n GLU 94 Cb 0.11 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 3bg5 n GLU 94 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3bg5 h SER 95 N 2.29 0.67 -0.37 4.31 0.87 -1.39 -2.34 113.55 117.59 3bg5 h SER 95 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3bg5 h SER 95 Cb 0.77 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3bg5 h SER 95 CO 0.08 1.21 0.00 -1.22 -0.53 0.00 0.00 176.83 176.38 3bg5 n TYR 96 N -3.87 0.48 0.22 2.24 4.02 -1.26 -4.17 117.16 114.82 3bg5 n TYR 96 Ca -0.06 -0.24 0.02 0.00 -0.01 0.00 0.00 57.90 57.62 3bg5 n TYR 96 Cb 0.73 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.05 3bg5 n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3bg5 n LEU 97 N 1.32 0.86 -4.56 7.72 4.32 -1.17 -4.51 117.00 120.98 3bg5 n LEU 97 Ca 0.19 -0.76 -0.42 0.00 -0.02 0.00 0.00 56.01 55.00 3bg5 n LEU 97 Cb 0.56 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 3bg5 n LEU 97 CO 0.15 0.19 1.54 0.21 -1.22 0.00 0.00 177.39 178.26 3bg5 s ASN 98 N -0.93 6.57 0.19 -1.43 3.04 -0.89 -4.89 114.94 116.60 3bg5 s ASN 98 Ca 0.04 -1.67 -0.21 0.00 0.04 0.00 0.00 52.86 51.07 3bg5 s ASN 98 Cb 0.04 -2.56 0.12 0.00 -1.54 0.00 0.00 41.25 37.31 3bg5 s ASN 98 CO 0.13 -1.42 1.59 0.40 -3.04 0.00 0.00 177.10 174.76 3bg5 h ILE 99 N 6.52 0.19 -0.21 -5.21 2.04 -1.90 -2.75 117.51 116.18 3bg5 h ILE 99 Ca 0.24 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.96 3bg5 h ILE 99 Cb 0.98 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3bg5 h ILE 99 CO 1.42 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 178.76 3bg5 h GLU 100 N -0.16 0.56 0.00 2.37 4.39 -2.00 -2.54 114.58 117.19 3bg5 h GLU 100 Ca 0.23 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3bg5 h GLU 100 Cb 0.54 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3bg5 h GLU 100 CO -0.66 0.91 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.01 3bg5 h ARG 101 N 0.44 0.00 -0.10 2.33 2.43 -1.92 -2.08 114.38 115.48 3bg5 h ARG 101 Ca 0.02 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.97 3bg5 h ARG 101 Cb 1.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3bg5 h ARG 101 CO 0.09 0.00 -0.81 0.82 -1.51 0.00 0.00 179.97 178.56 3bg5 h ILE 102 N 0.00 1.29 -0.80 1.20 2.04 -1.28 -2.64 117.51 117.32 3bg5 h ILE 102 Ca 0.00 -2.03 0.01 0.00 1.00 0.00 0.00 64.86 63.85 3bg5 h ILE 102 Cb 0.98 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 3bg5 h ILE 102 CO 0.00 0.63 0.53 0.40 0.00 0.00 0.00 178.15 179.71 3bg5 h ILE 103 N 0.44 1.20 -0.38 -0.67 1.08 -1.42 -1.45 117.51 116.30 3bg5 h ILE 103 Ca -0.07 -0.37 0.03 0.00 -0.39 0.00 0.00 64.86 64.06 3bg5 h ILE 103 Cb 1.45 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 3bg5 h ILE 103 CO 0.16 0.20 0.19 0.44 -0.69 0.00 0.00 178.15 178.45 3bg5 h ASP 104 N 1.08 0.28 -0.76 1.72 3.32 -1.36 0.19 116.42 120.88 3bg5 h ASP 104 Ca 0.30 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3bg5 h ASP 104 Cb -0.11 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3bg5 h ASP 104 CO -0.07 0.20 0.40 0.58 -1.72 0.00 0.00 179.24 178.64 3bg5 h VAL 105 N 0.39 1.23 -0.61 -1.35 2.07 -1.30 -1.48 116.25 115.20 3bg5 h VAL 105 Ca 0.16 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 3bg5 h VAL 105 Cb 0.07 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3bg5 h VAL 105 CO -0.11 0.26 0.18 0.00 0.02 0.00 0.00 177.57 177.92 3bg5 h ALA 106 N 1.21 0.80 -0.24 1.67 0.00 -0.62 -1.20 119.26 120.88 3bg5 h ALA 106 Ca 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3bg5 h ALA 106 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3bg5 h ALA 106 CO -0.04 0.48 0.04 0.87 0.00 0.00 0.00 179.25 180.60 3bg5 h LYS 107 N 0.88 0.40 -0.50 0.00 1.57 -0.44 -1.11 116.57 117.37 3bg5 h LYS 107 Ca 0.20 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3bg5 h LYS 107 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3bg5 h LYS 107 CO -0.00 0.52 0.26 0.37 -0.57 0.00 0.00 179.45 180.03 3bg5 h GLN 108 N 0.21 0.68 -0.04 3.15 4.15 -1.15 -2.33 115.11 119.78 3bg5 h GLN 108 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3bg5 h GLN 108 Cb 0.31 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3bg5 h GLN 108 CO 0.00 0.51 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 3bg5 n ALA 109 N -2.46 2.60 -3.49 3.38 0.00 -0.46 -4.95 120.51 115.12 3bg5 n ALA 109 Ca 0.04 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 3bg5 n ALA 109 Cb 0.10 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.34 3bg5 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bg5 n ASN 110 N -0.24 -5.94 -4.77 0.00 4.13 -0.88 -4.98 115.26 102.58 3bg5 n ASN 110 Ca 0.19 -0.88 -0.38 0.00 1.68 0.00 0.00 54.58 55.19 3bg5 n ASN 110 Cb 0.25 -4.20 -0.06 0.00 -1.54 0.00 0.00 39.78 34.23 3bg5 n ASN 110 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bg5 s VAL 111 N -3.43 5.10 -0.03 2.41 1.01 -0.45 -4.69 120.40 120.33 3bg5 s VAL 111 Ca 0.47 0.91 0.01 0.00 0.00 0.00 0.00 61.98 63.38 3bg5 s VAL 111 Cb -0.12 -3.78 -0.26 0.00 0.00 0.00 0.00 36.38 32.22 3bg5 s VAL 111 CO 0.81 0.43 0.73 0.44 0.00 0.00 0.00 175.10 177.51 3bg5 h ASP 112 N 5.86 0.26 -4.78 3.32 3.45 -1.60 -3.45 116.42 119.48 3bg5 h ASP 112 Ca -0.45 -0.44 -0.13 0.00 0.43 0.00 0.00 57.03 56.44 3bg5 h ASP 112 Cb 1.19 -0.09 -0.21 0.00 -0.56 0.00 0.00 39.33 39.67 3bg5 h ASP 112 CO 0.70 1.38 -0.31 0.00 -1.57 0.00 0.00 179.24 179.44 3bg5 s ALA 113 N -2.61 -0.73 -0.13 3.45 0.00 -1.20 -0.34 121.76 120.20 3bg5 s ALA 113 Ca -0.10 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3bg5 s ALA 113 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 3bg5 s ALA 113 CO 0.83 -0.23 -0.18 0.42 0.00 0.00 0.00 175.76 176.59 3bg5 s ILE 114 N -1.07 2.52 -0.30 0.00 1.01 -0.20 -1.27 121.20 121.90 3bg5 s ILE 114 Ca -0.11 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 3bg5 s ILE 114 Cb -0.05 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3bg5 s ILE 114 CO 0.03 0.54 0.33 -2.28 0.00 0.00 0.00 174.94 173.56 3bg5 s HIS 115 N 0.53 3.23 -2.16 3.97 2.46 -0.16 -1.45 115.29 121.71 3bg5 s HIS 115 Ca -0.12 0.20 0.17 0.00 0.47 0.00 0.00 55.06 55.79 3bg5 s HIS 115 Cb -0.16 -2.56 0.69 0.00 -0.13 0.00 0.00 32.58 30.42 3bg5 s HIS 115 CO 0.04 -0.28 1.49 -0.35 -2.47 0.00 0.00 174.74 173.18 3bg5 n PRO 116 N 5.29 1.57 0.00 2.88 -0.04 -1.26 -2.28 135.00 141.16 3bg5 n PRO 116 Ca -0.10 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 3bg5 n PRO 116 Cb 0.51 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 3bg5 n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bg5 n GLY 117 N 1.02 3.28 2.95 0.55 0.00 -1.26 -4.19 105.19 107.55 3bg5 n GLY 117 Ca 0.14 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 3bg5 n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bg5 s TYR 118 N 0.00 0.16 -0.69 1.61 -0.85 -1.26 -4.32 117.35 112.00 3bg5 s TYR 118 Ca 0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 56.20 3bg5 s TYR 118 Cb 0.00 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.22 3bg5 s TYR 118 CO 0.00 -0.13 0.25 0.41 -1.52 0.00 0.00 175.55 174.56 3bg5 n GLY 119 N 2.09 0.15 0.00 5.49 0.00 -1.26 -4.87 105.19 106.78 3bg5 n GLY 119 Ca -0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3bg5 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bg5 n PHE 120 N -3.81 0.00 0.42 1.61 3.72 -1.26 -4.92 117.46 113.23 3bg5 n PHE 120 Ca -0.05 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.45 3bg5 n PHE 120 Cb 0.55 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.36 3bg5 n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3bg5 n LEU 121 N 0.00 2.95 0.24 4.37 4.77 -1.26 -4.57 117.00 123.50 3bg5 n LEU 121 Ca 0.00 -1.36 0.16 0.00 -0.03 0.00 0.00 56.01 54.78 3bg5 n LEU 121 Cb 0.00 -0.28 0.86 0.00 -2.33 0.00 0.00 43.42 41.67 3bg5 n LEU 121 CO 0.00 0.68 0.99 0.77 -1.33 0.00 0.00 177.39 178.50 3bg5 h SER 122 N 3.55 0.00 0.00 -1.43 4.64 -1.88 -1.51 113.55 116.93 3bg5 h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bg5 h SER 122 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3bg5 h SER 122 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3bg5 n GLU 123 N -2.64 2.41 -2.76 4.77 1.02 -1.26 -4.77 120.64 117.42 3bg5 n GLU 123 Ca -0.02 -1.32 -0.43 0.00 -0.02 0.00 0.00 57.16 55.37 3bg5 n GLU 123 Cb 0.07 -0.95 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 3bg5 n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3bg5 s ASN 124 N -0.83 6.34 0.24 1.62 3.84 -0.57 -4.90 114.94 120.68 3bg5 s ASN 124 Ca 0.00 -0.29 -0.06 0.00 0.21 0.00 0.00 52.86 52.72 3bg5 s ASN 124 Cb 0.00 -2.47 0.43 0.00 -0.55 0.00 0.00 41.25 38.66 3bg5 s ASN 124 CO 0.00 -1.34 1.69 -0.33 -2.79 0.00 0.00 177.10 174.33 3bg5 h GLU 125 N 9.42 0.27 -0.38 0.43 3.07 -1.87 -2.75 114.58 122.76 3bg5 h GLU 125 Ca -0.26 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.65 3bg5 h GLU 125 Cb 1.07 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.86 3bg5 h GLU 125 CO 1.13 0.18 0.01 1.96 -1.40 0.00 0.00 179.01 180.89 3bg5 h GLN 126 N 0.28 0.12 -0.51 2.33 1.08 -1.96 -1.07 115.11 115.37 3bg5 h GLN 126 Ca 0.40 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.55 3bg5 h GLN 126 Cb 0.66 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 3bg5 h GLN 126 CO -0.49 0.08 0.18 0.35 -0.95 0.00 0.00 178.83 178.00 3bg5 h PHE 127 N 0.12 0.80 -0.17 2.96 3.57 -1.84 -0.57 116.94 121.82 3bg5 h PHE 127 Ca 0.19 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3bg5 h PHE 127 Cb 0.26 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3bg5 h PHE 127 CO -0.25 0.69 -0.15 0.00 -2.23 0.00 0.00 178.31 176.37 3bg5 h ALA 128 N 1.03 1.45 -0.04 2.41 0.00 -1.29 -1.01 119.26 121.80 3bg5 h ALA 128 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3bg5 h ALA 128 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bg5 h ALA 128 CO -0.01 0.39 -0.04 -0.09 0.00 0.00 0.00 179.25 179.50 3bg5 h ARG 129 N 0.25 0.10 -0.94 0.00 2.43 -0.86 -2.88 114.38 112.48 3bg5 h ARG 129 Ca 0.05 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bg5 h ARG 129 Cb 0.42 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 3bg5 h ARG 129 CO 0.03 0.54 0.58 0.00 -1.51 0.00 0.00 179.97 179.60 3bg5 h ARG 130 N -0.33 1.27 0.18 0.20 2.47 -0.84 -0.75 114.38 116.58 3bg5 h ARG 130 Ca 0.01 -0.11 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3bg5 h ARG 130 Cb 0.51 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 3bg5 h ARG 130 CO 0.01 0.88 -0.32 0.00 0.56 0.00 0.00 179.97 181.10 3bg5 h ALA 132 N 0.05 1.12 0.00 0.00 0.00 -1.26 0.08 119.26 119.25 3bg5 h ALA 132 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bg5 h ALA 132 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bg5 h ALA 132 CO -0.15 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3bg5 n GLU 133 N -4.71 0.01 0.00 0.00 1.02 -0.31 -2.14 120.64 114.51 3bg5 n GLU 133 Ca 0.12 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3bg5 n GLU 133 Cb 0.22 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3bg5 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3bg5 n GLU 134 N -1.57 2.78 -1.72 3.49 -0.58 -0.23 -4.98 120.64 117.82 3bg5 n GLU 134 Ca 0.00 -1.44 -0.03 0.00 -0.42 0.00 0.00 57.16 55.27 3bg5 n GLU 134 Cb 0.01 -0.98 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 3bg5 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg5 n GLY 135 N -0.47 0.37 3.40 0.62 0.00 -0.91 -5.04 105.19 103.17 3bg5 n GLY 135 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3bg5 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 136 N -2.15 3.22 -0.25 -0.61 1.01 -0.15 -4.89 121.20 117.38 3bg5 s ILE 136 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 3bg5 s ILE 136 Cb 0.00 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 40.12 3bg5 s ILE 136 CO 0.00 0.52 1.07 -0.75 0.00 0.00 0.00 174.94 175.79 3bg5 s LYS 137 N 0.26 4.20 -0.31 2.79 2.47 0.53 -3.02 119.74 126.66 3bg5 s LYS 137 Ca -0.08 1.31 -0.29 0.00 -1.56 0.00 0.00 55.97 55.35 3bg5 s LYS 137 Cb -0.15 -3.68 0.01 0.00 -1.46 0.00 0.00 37.83 32.55 3bg5 s LYS 137 CO 0.05 -0.71 1.20 0.12 0.16 0.00 0.00 175.35 176.17 3bg5 s PHE 138 N 3.36 2.88 -0.90 4.03 2.19 -1.26 -1.03 117.98 127.25 3bg5 s PHE 138 Ca 0.45 0.99 -0.24 0.00 0.33 0.00 0.00 56.93 58.46 3bg5 s PHE 138 Cb -0.15 -3.84 0.01 0.00 -1.31 0.00 0.00 43.02 37.73 3bg5 s PHE 138 CO 0.09 -1.31 1.62 0.42 1.83 0.00 0.00 175.22 177.87 3bg5 s ILE 139 N 4.06 3.69 -3.49 3.12 1.01 -0.53 -4.76 121.20 124.30 3bg5 s ILE 139 Ca 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3bg5 s ILE 139 Cb -0.14 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3bg5 s ILE 139 CO 0.20 -1.52 0.00 0.61 0.00 0.00 0.00 174.94 174.24 3bg5 n GLY 140 N 6.53 -1.68 3.61 6.18 0.00 -1.26 -4.54 105.19 114.03 3bg5 n GLY 140 Ca 0.29 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 3bg5 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 141 N -1.59 -0.96 0.71 1.61 0.04 -1.22 -4.73 135.00 128.85 3bg5 s PRO 141 Ca 0.00 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.93 3bg5 s PRO 141 Cb 0.00 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.94 3bg5 s PRO 141 CO 0.00 -3.56 1.10 -1.01 0.04 0.00 0.00 177.00 173.57 3bg5 s HIS 142 N -3.01 2.66 0.30 0.56 3.76 -1.26 -4.85 115.29 113.44 3bg5 s HIS 142 Ca 0.70 1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 57.12 3bg5 s HIS 142 Cb -0.11 -3.09 0.61 0.00 1.11 0.00 0.00 32.58 31.10 3bg5 s HIS 142 CO 0.56 -1.67 1.56 -0.07 -0.85 0.00 0.00 174.74 174.27 3bg5 h LEU 143 N -0.48 -0.71 -1.24 0.89 4.07 -1.95 0.02 115.31 115.91 3bg5 h LEU 143 Ca -0.45 0.29 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 3bg5 h LEU 143 Cb 1.24 0.56 -0.03 0.00 1.08 0.00 0.00 40.66 43.50 3bg5 h LEU 143 CO 0.53 -0.35 0.41 1.05 -1.08 0.00 0.00 178.44 179.00 3bg5 h GLU 144 N 0.00 0.93 -0.45 1.13 9.09 -1.99 -1.59 114.58 121.70 3bg5 h GLU 144 Ca 0.54 -0.08 -0.13 0.00 0.05 0.00 0.00 59.36 59.74 3bg5 h GLU 144 Cb 0.99 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 27.88 3bg5 h GLU 144 CO -0.99 0.65 -0.24 0.45 0.05 0.00 0.00 179.01 178.94 3bg5 h HIS 145 N 0.94 1.08 -0.08 2.06 3.86 -1.37 -0.36 115.15 121.27 3bg5 h HIS 145 Ca 0.25 -0.27 -0.10 0.00 -1.16 0.00 0.00 60.37 59.09 3bg5 h HIS 145 Cb -0.03 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 3bg5 h HIS 145 CO 0.00 1.07 -0.42 -0.07 0.86 0.00 0.00 177.93 179.37 3bg5 h LEU 146 N 0.80 0.18 0.04 2.43 3.38 -0.95 -0.73 115.31 120.47 3bg5 h LEU 146 Ca 0.10 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bg5 h LEU 146 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3bg5 h LEU 146 CO 0.07 0.59 -0.02 -0.78 0.09 0.00 0.00 178.44 178.39 3bg5 h ASP 147 N 0.15 -0.04 -0.93 -0.43 -0.00 -1.27 -0.72 116.42 113.17 3bg5 h ASP 147 Ca 0.01 -0.65 0.10 0.00 -0.00 0.00 0.00 57.03 56.50 3bg5 h ASP 147 Cb 0.81 0.01 -0.12 0.00 -0.00 0.00 0.00 39.33 40.03 3bg5 h ASP 147 CO 0.06 0.71 -0.49 0.80 -0.00 0.00 0.00 179.24 180.33 3bg5 n MET 148 N -4.74 -0.35 0.00 0.28 1.56 -0.15 -2.98 117.12 110.73 3bg5 n MET 148 Ca -0.08 1.41 0.10 0.00 -0.27 0.00 0.00 57.70 58.86 3bg5 n MET 148 Cb 0.33 -2.08 0.02 0.00 2.15 0.00 0.00 33.22 33.64 3bg5 n MET 148 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3bg5 n PHE 149 N -5.23 0.00 0.73 1.12 3.01 -0.28 -2.43 117.46 114.38 3bg5 n PHE 149 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.61 3bg5 n PHE 149 Cb 0.28 0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.22 3bg5 n PHE 149 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 150 N 1.30 -1.28 3.14 1.37 0.00 -0.28 -4.60 105.19 104.84 3bg5 n GLY 150 Ca 0.09 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3bg5 n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bg5 s ASP 151 N -3.14 2.72 0.00 1.61 -1.08 -1.25 -4.83 116.67 110.70 3bg5 s ASP 151 Ca 0.10 -0.49 0.17 0.00 -0.52 0.00 0.00 52.55 51.81 3bg5 s ASP 151 Cb 0.14 -1.24 1.02 0.00 -1.46 0.00 0.00 42.92 41.38 3bg5 s ASP 151 CO 0.41 0.09 1.53 0.29 0.52 0.00 0.00 175.17 178.01 3bg5 n LYS 152 N 3.85 0.81 -0.12 4.34 5.02 -1.26 -0.85 118.16 129.95 3bg5 n LYS 152 Ca -0.20 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.88 3bg5 n LYS 152 Cb 0.52 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 3bg5 n LYS 152 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3bg5 n VAL 153 N -0.83 1.33 -0.22 -0.18 0.31 -1.26 -4.03 118.33 113.45 3bg5 n VAL 153 Ca 0.13 -0.42 -0.02 0.00 -0.01 0.00 0.00 64.34 64.02 3bg5 n VAL 153 Cb 0.06 -1.57 0.09 0.00 -0.91 0.00 0.00 33.84 31.51 3bg5 n VAL 153 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3bg5 h LYS 154 N -0.44 0.62 -0.96 5.55 1.79 -1.76 0.18 116.57 121.55 3bg5 h LYS 154 Ca -0.57 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 57.88 3bg5 h LYS 154 Cb 1.67 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 32.13 3bg5 h LYS 154 CO -0.23 0.41 0.63 0.00 -1.08 0.00 0.00 179.45 179.18 3bg5 h ALA 155 N 1.34 1.32 -0.34 3.86 0.00 -0.64 0.79 119.26 125.59 3bg5 h ALA 155 Ca 0.29 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3bg5 h ALA 155 Cb 0.20 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3bg5 h ALA 155 CO -0.19 0.63 -0.40 0.00 0.00 0.00 0.00 179.25 179.29 3bg5 h ARG 156 N 1.29 0.87 -0.68 0.00 3.08 -1.55 -0.96 114.38 116.43 3bg5 h ARG 156 Ca 0.35 -0.48 0.03 0.00 0.07 0.00 0.00 59.98 59.95 3bg5 h ARG 156 Cb -0.14 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3bg5 h ARG 156 CO -0.08 1.13 0.42 1.15 -1.07 0.00 0.00 179.97 181.52 3bg5 h THR 157 N 0.67 1.09 -0.51 2.04 2.02 -0.53 -1.41 112.91 116.29 3bg5 h THR 157 Ca 0.05 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3bg5 h THR 157 Cb 0.99 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3bg5 h THR 157 CO 0.10 0.15 0.27 0.74 0.37 0.00 0.00 175.52 177.15 3bg5 h THR 158 N 0.83 1.18 -0.54 3.16 2.02 -0.67 -0.20 112.91 118.69 3bg5 h THR 158 Ca 0.27 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3bg5 h THR 158 Cb 0.02 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3bg5 h THR 158 CO -0.11 0.20 0.14 0.00 0.37 0.00 0.00 175.52 176.12 3bg5 h ALA 159 N 1.11 0.70 -0.14 6.16 0.00 -0.87 -1.11 119.26 125.11 3bg5 h ALA 159 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bg5 h ALA 159 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3bg5 h ALA 159 CO -0.03 0.39 0.06 0.82 0.00 0.00 0.00 179.25 180.50 3bg5 h ILE 160 N 0.75 1.14 -0.06 0.00 2.04 -1.15 -0.66 117.51 119.57 3bg5 h ILE 160 Ca 0.17 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3bg5 h ILE 160 Cb 0.32 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3bg5 h ILE 160 CO -0.00 0.13 0.11 0.50 0.00 0.00 0.00 178.15 178.88 3bg5 h LYS 161 N 0.08 0.00 -0.39 2.37 1.63 -0.82 0.45 116.57 119.89 3bg5 h LYS 161 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3bg5 h LYS 161 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3bg5 h LYS 161 CO -0.00 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.00 3bg5 n ALA 162 N -2.19 2.42 -3.19 5.00 0.00 -0.44 -5.00 120.51 117.11 3bg5 n ALA 162 Ca -0.01 -1.00 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 3bg5 n ALA 162 Cb 0.19 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 18.85 3bg5 n ALA 162 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3bg5 n ASP 163 N 1.50 -5.17 -4.38 0.00 2.03 0.16 -4.79 116.55 105.90 3bg5 n ASP 163 Ca 0.19 -0.64 -0.31 0.00 0.52 0.00 0.00 54.79 54.55 3bg5 n ASP 163 Cb 0.61 -4.88 -0.15 0.00 -0.72 0.00 0.00 41.12 35.98 3bg5 n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bg5 s LEU 164 N -5.46 2.32 -0.08 -2.67 1.43 -0.39 -5.01 118.68 108.82 3bg5 s LEU 164 Ca 0.31 -0.43 -0.32 0.00 -1.03 0.00 0.00 54.13 52.66 3bg5 s LEU 164 Cb -0.04 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 3bg5 s LEU 164 CO 0.69 0.30 1.97 -0.81 0.23 0.00 0.00 176.35 178.73 3bg5 n PRO 165 N 2.13 2.31 -4.16 1.29 -0.04 -1.26 -4.39 135.00 130.88 3bg5 n PRO 165 Ca -0.16 0.82 -0.22 0.00 -0.04 0.00 0.00 63.50 63.89 3bg5 n PRO 165 Cb 0.52 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.10 3bg5 n PRO 165 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg5 s VAL 166 N 4.90 3.83 -0.08 0.52 1.01 -1.26 -0.63 120.40 128.69 3bg5 s VAL 166 Ca 0.94 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 3bg5 s VAL 166 Cb -0.58 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3bg5 s VAL 166 CO 0.47 -0.33 1.49 -0.63 0.00 0.00 0.00 175.10 176.10 3bg5 s ILE 167 N -2.25 3.81 -0.06 2.22 1.01 -1.26 -4.88 121.20 119.79 3bg5 s ILE 167 Ca 0.34 1.02 -0.35 0.00 0.00 0.00 0.00 60.65 61.66 3bg5 s ILE 167 Cb -0.07 -3.66 -0.13 0.00 0.01 0.00 0.00 42.46 38.61 3bg5 s ILE 167 CO 0.23 -0.08 1.77 -2.65 0.00 0.00 0.00 174.94 174.22 3bg5 n PRO 168 N 6.69 1.97 -0.06 2.79 -0.02 -1.26 -4.84 135.00 140.26 3bg5 n PRO 168 Ca 0.16 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3bg5 n PRO 168 Cb 0.43 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3bg5 n PRO 168 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bg5 n GLY 169 N 4.08 2.14 3.67 -1.23 0.00 -1.26 -2.22 105.19 110.37 3bg5 n GLY 169 Ca 0.22 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3bg5 n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s THR 170 N -2.63 4.08 -1.04 2.61 2.01 -1.18 -4.89 115.64 114.60 3bg5 s THR 170 Ca 0.00 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.37 3bg5 s THR 170 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.63 3bg5 s THR 170 CO 0.00 -0.06 0.76 -0.90 -0.69 0.00 0.00 174.62 173.73 3bg5 n ASP 171 N 6.02 0.00 0.00 3.53 5.75 -1.26 -4.70 116.55 125.90 3bg5 n ASP 171 Ca 0.13 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 3bg5 n ASP 171 Cb 0.45 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3bg5 n ASP 171 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bg5 n GLY 172 N -1.26 3.26 3.98 6.12 0.00 -1.26 -5.02 105.19 111.01 3bg5 n GLY 172 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3bg5 n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 173 N 1.23 1.53 -0.07 1.61 0.04 -1.26 -4.84 135.00 133.23 3bg5 s PRO 173 Ca 0.00 -0.97 -0.02 0.00 0.04 0.00 0.00 61.00 60.05 3bg5 s PRO 173 Cb 0.00 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.33 3bg5 s PRO 173 CO 0.00 -1.60 0.04 0.42 0.04 0.00 0.00 177.00 175.90 3bg5 s ILE 174 N -3.27 0.13 -0.05 0.56 1.01 -0.44 -5.00 121.20 114.14 3bg5 s ILE 174 Ca 0.67 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.53 3bg5 s ILE 174 Cb -0.05 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3bg5 s ILE 174 CO 0.46 0.16 -0.04 0.29 0.00 0.00 0.00 174.94 175.80 3bg5 n LYS 175 N 5.22 0.46 -1.74 2.79 5.02 -1.26 -3.98 118.16 124.66 3bg5 n LYS 175 Ca -0.05 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 3bg5 n LYS 175 Cb 0.50 -1.11 0.07 0.00 -0.02 0.00 0.00 35.03 34.46 3bg5 n LYS 175 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3bg5 s SER 176 N -4.44 4.94 1.17 4.39 1.04 -1.26 -5.05 113.70 114.49 3bg5 s SER 176 Ca -0.07 1.18 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 3bg5 s SER 176 Cb 0.02 -1.92 0.20 0.00 0.10 0.00 0.00 66.02 64.42 3bg5 s SER 176 CO 0.13 -1.67 0.71 -1.22 0.98 0.00 0.00 173.24 172.17 3bg5 n TYR 177 N -3.22 -3.56 -1.50 5.02 0.53 -1.26 -3.84 117.16 109.32 3bg5 n TYR 177 Ca 0.07 -0.64 -0.09 0.00 -1.02 0.00 0.00 57.90 56.22 3bg5 n TYR 177 Cb 0.57 -0.74 -0.03 0.00 -1.03 0.00 0.00 39.34 38.11 3bg5 n TYR 177 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3bg5 n GLU 178 N -3.70 -1.44 -0.17 -0.72 4.71 -1.26 -4.82 120.64 113.24 3bg5 n GLU 178 Ca 0.10 0.52 0.07 0.00 -0.01 0.00 0.00 57.16 57.84 3bg5 n GLU 178 Cb 0.38 -4.78 0.37 0.00 -1.01 0.00 0.00 31.44 26.41 3bg5 n GLU 178 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 3bg5 h LEU 179 N 0.00 0.63 -0.16 -4.62 -0.00 -1.97 -1.32 115.31 107.86 3bg5 h LEU 179 Ca -0.19 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.52 3bg5 h LEU 179 Cb 0.71 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.25 3bg5 h LEU 179 CO 0.27 0.40 -0.56 0.00 -0.00 0.00 0.00 178.44 178.56 3bg5 h ALA 180 N 1.62 0.28 0.00 0.17 0.00 -1.87 -3.30 119.26 116.16 3bg5 h ALA 180 Ca 0.31 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3bg5 h ALA 180 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3bg5 h ALA 180 CO -0.10 0.50 0.00 1.63 0.00 0.00 0.00 179.25 181.28 3bg5 n LYS 181 N -4.14 0.89 -0.58 0.00 4.76 -0.50 -2.84 118.16 115.74 3bg5 n LYS 181 Ca -0.07 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3bg5 n LYS 181 Cb 0.63 -1.06 -0.01 0.00 -1.84 0.00 0.00 35.03 32.75 3bg5 n LYS 181 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3bg5 n GLU 182 N 1.20 0.00 0.00 1.97 0.28 -1.23 -4.93 120.64 117.94 3bg5 n GLU 182 Ca 0.00 -0.41 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 3bg5 n GLU 182 Cb 0.44 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 33.23 3bg5 n GLU 182 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3bg5 n PHE 183 N 0.02 0.00 0.06 -1.84 7.35 -1.13 -4.96 117.46 116.96 3bg5 n PHE 183 Ca -0.02 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.55 3bg5 n PHE 183 Cb 0.59 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.36 3bg5 n PHE 183 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3bg5 h ALA 184 N 0.00 -0.08 0.00 3.13 0.00 -1.89 -2.83 119.26 117.59 3bg5 h ALA 184 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bg5 h ALA 184 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bg5 h ALA 184 CO 0.00 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.08 3bg5 n GLU 185 N -5.15 0.94 -0.63 0.00 1.02 -1.26 -2.96 120.64 112.59 3bg5 n GLU 185 Ca -0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3bg5 n GLU 185 Cb 0.08 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3bg5 n GLU 185 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3bg5 n GLU 186 N -0.08 0.00 0.00 3.49 0.00 -1.08 -5.06 120.64 117.91 3bg5 n GLU 186 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 57.16 56.37 3bg5 n GLU 186 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 31.44 31.39 3bg5 n GLU 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3bg5 n ALA 187 N 0.05 0.49 -3.00 -1.84 0.00 -1.15 -5.06 120.51 110.00 3bg5 n ALA 187 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3bg5 n ALA 187 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3bg5 n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 188 N 2.67 4.22 0.00 0.00 0.00 -1.26 -5.14 105.19 105.68 3bg5 n GLY 188 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3bg5 n GLY 188 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bg5 n PHE 189 N 0.00 0.00 -2.65 1.61 7.35 -1.26 -4.88 117.46 117.63 3bg5 n PHE 189 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 3bg5 n PHE 189 Cb 0.00 -0.12 -0.04 0.00 0.35 0.00 0.00 39.48 39.67 3bg5 n PHE 189 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3bg5 s PRO 190 N -0.27 4.67 0.42 -7.13 0.02 -1.26 -4.74 135.00 126.70 3bg5 s PRO 190 Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 61.00 62.60 3bg5 s PRO 190 Cb 0.00 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 3bg5 s PRO 190 CO 0.00 0.18 0.06 -0.51 -0.33 0.00 0.00 177.00 176.40 3bg5 s LEU 191 N -0.20 2.24 -0.24 -5.54 1.43 -0.49 -2.06 118.68 113.81 3bg5 s LEU 191 Ca 0.47 -1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 3bg5 s LEU 191 Cb -0.26 -0.45 0.08 0.00 0.03 0.00 0.00 46.19 45.59 3bg5 s LEU 191 CO 0.32 -0.76 0.58 -0.32 0.23 0.00 0.00 176.35 176.40 3bg5 s MET 192 N -3.80 0.57 -0.29 1.70 -2.45 -0.21 -1.91 119.30 112.91 3bg5 s MET 192 Ca 0.24 1.12 -0.10 0.00 -1.25 0.00 0.00 55.69 55.70 3bg5 s MET 192 Cb 0.05 0.22 -0.03 0.00 1.25 0.00 0.00 34.83 36.31 3bg5 s MET 192 CO 0.12 -0.17 0.16 -1.50 1.05 0.00 0.00 175.02 174.68 3bg5 s ILE 193 N 1.84 4.94 0.03 10.11 1.10 -1.10 -0.68 121.20 137.44 3bg5 s ILE 193 Ca -0.09 -0.08 0.09 0.00 -0.51 0.00 0.00 60.65 60.06 3bg5 s ILE 193 Cb -0.08 -3.40 -0.03 0.00 0.15 0.00 0.00 42.46 39.11 3bg5 s ILE 193 CO -0.17 0.20 -0.25 -0.54 -2.11 0.00 0.00 174.94 172.06 3bg5 s LYS 194 N 1.69 1.81 0.62 3.50 1.02 -0.50 -3.56 119.74 124.32 3bg5 s LYS 194 Ca 0.06 -1.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 3bg5 s LYS 194 Cb -0.16 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3bg5 s LYS 194 CO 0.08 0.50 1.03 0.00 -0.92 0.00 0.00 175.35 176.05 3bg5 s ALA 195 N -0.75 2.95 -1.07 5.17 0.00 -1.26 -1.54 121.76 125.25 3bg5 s ALA 195 Ca 0.11 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 3bg5 s ALA 195 Cb -0.10 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3bg5 s ALA 195 CO 0.01 -0.77 1.91 -0.08 0.00 0.00 0.00 175.76 176.83 3bg5 s THR 196 N -2.98 3.55 0.00 0.00 -1.32 -1.13 -4.87 115.64 108.88 3bg5 s THR 196 Ca 0.57 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 3bg5 s THR 196 Cb -0.12 -4.39 0.00 0.00 -1.51 0.00 0.00 72.50 66.48 3bg5 s THR 196 CO 0.49 -1.06 0.00 -0.24 -2.21 0.00 0.00 174.62 171.60 3bg5 n SER 197 N 13.74 0.00 0.00 8.08 2.88 -1.26 -4.77 113.62 132.29 3bg5 n SER 197 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 3bg5 n SER 197 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3bg5 n SER 197 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3bg5 n ARG 205 N 0.00 0.00 -2.48 -1.46 3.00 -1.23 -4.90 116.66 109.58 3bg5 n ARG 205 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 3bg5 n ARG 205 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 3bg5 n ARG 205 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3bg5 s ILE 206 N 0.00 3.91 -0.09 5.15 1.01 -1.26 -2.71 121.20 127.20 3bg5 s ILE 206 Ca 0.00 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.23 3bg5 s ILE 206 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3bg5 s ILE 206 CO 0.00 0.23 -0.16 -0.69 0.00 0.00 0.00 174.94 174.31 3bg5 s VAL 207 N 0.13 1.50 -0.20 2.92 1.01 -0.80 -5.00 120.40 119.96 3bg5 s VAL 207 Ca 0.52 -0.68 0.15 0.00 0.00 0.00 0.00 61.98 61.98 3bg5 s VAL 207 Cb -0.29 -1.35 0.47 0.00 0.00 0.00 0.00 36.38 35.21 3bg5 s VAL 207 CO 0.34 0.44 1.37 -1.14 0.00 0.00 0.00 175.10 176.10 3bg5 n ARG 208 N 3.88 2.26 -0.00 2.72 0.63 -1.26 -1.40 116.66 123.49 3bg5 n ARG 208 Ca -0.21 -2.89 0.00 0.00 -0.92 0.00 0.00 57.85 53.84 3bg5 n ARG 208 Cb 0.52 -1.76 -0.00 0.00 0.45 0.00 0.00 32.46 31.67 3bg5 n ARG 208 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3bg5 n GLU 209 N -0.88 -0.01 -2.30 -0.14 1.02 -1.26 -4.96 120.64 112.11 3bg5 n GLU 209 Ca 0.23 0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3bg5 n GLU 209 Cb 0.87 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 32.28 3bg5 n GLU 209 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3bg5 n GLU 210 N -0.98 -2.25 0.00 3.49 4.71 -1.26 -4.00 120.64 120.34 3bg5 n GLU 210 Ca 0.00 1.98 0.00 0.00 -0.01 0.00 0.00 57.16 59.13 3bg5 n GLU 210 Cb 0.00 -3.89 0.00 0.00 -1.01 0.00 0.00 31.44 26.55 3bg5 n GLU 210 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3bg5 n SER 211 N 0.41 0.00 -0.08 1.62 3.41 -1.26 -4.30 113.62 113.42 3bg5 n SER 211 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 3bg5 n SER 211 Cb 0.02 -0.27 0.74 0.00 -0.26 0.00 0.00 64.21 64.44 3bg5 n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bg5 n GLU 212 N -0.55 1.11 0.21 4.33 4.71 -1.26 -3.25 120.64 125.94 3bg5 n GLU 212 Ca 0.00 -0.16 0.15 0.00 -0.01 0.00 0.00 57.16 57.14 3bg5 n GLU 212 Cb 0.00 -1.42 0.70 0.00 -1.01 0.00 0.00 31.44 29.71 3bg5 n GLU 212 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3bg5 h LEU 213 N 0.35 0.00 0.00 -4.62 3.38 -1.77 -3.02 115.31 109.63 3bg5 h LEU 213 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bg5 h LEU 213 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3bg5 h LEU 213 CO 0.00 0.00 -0.59 1.21 0.09 0.00 0.00 178.44 179.15 3bg5 n GLU 214 N -2.60 0.00 0.19 1.13 2.13 -1.23 -4.53 120.64 115.73 3bg5 n GLU 214 Ca -0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3bg5 n GLU 214 Cb 0.17 -0.78 0.34 0.00 0.27 0.00 0.00 31.44 31.44 3bg5 n GLU 214 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3bg5 h ASP 215 N 0.00 0.00 -0.10 4.31 5.19 -1.68 0.54 116.42 124.68 3bg5 h ASP 215 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3bg5 h ASP 215 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 3bg5 h ASP 215 CO 0.00 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 176.50 3bg5 n ALA 216 N -2.31 2.47 -0.03 3.45 0.00 -1.14 -4.14 120.51 118.82 3bg5 n ALA 216 Ca -0.00 -0.71 0.04 0.00 0.00 0.00 0.00 53.44 52.76 3bg5 n ALA 216 Cb 0.50 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 3bg5 n ALA 216 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bg5 n PHE 217 N 1.19 0.00 -0.22 0.00 7.35 -0.72 -4.71 117.46 120.35 3bg5 n PHE 217 Ca 0.16 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.01 3bg5 n PHE 217 Cb 0.56 -0.49 0.31 0.00 0.35 0.00 0.00 39.48 40.21 3bg5 n PHE 217 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3bg5 n HIS 218 N -2.23 0.63 0.35 -5.13 8.25 0.18 0.02 115.22 117.29 3bg5 n HIS 218 Ca -0.09 0.78 0.11 0.00 -0.26 0.00 0.00 57.72 58.26 3bg5 n HIS 218 Cb 0.60 -1.12 0.26 0.00 1.12 0.00 0.00 29.99 30.85 3bg5 n HIS 218 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3bg5 n ARG 219 N -4.63 2.38 0.00 -0.41 0.63 -1.26 -3.97 116.66 109.39 3bg5 n ARG 219 Ca 0.21 -2.10 0.16 0.00 -0.92 0.00 0.00 57.85 55.20 3bg5 n ARG 219 Cb 0.71 -1.49 0.93 0.00 0.45 0.00 0.00 32.46 33.06 3bg5 n ARG 219 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bg5 n ALA 220 N 1.27 2.67 -0.05 5.13 0.00 0.10 -1.07 120.51 128.56 3bg5 n ALA 220 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3bg5 n ALA 220 Cb 0.54 -1.51 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 3bg5 n ALA 220 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3bg5 n LYS 221 N -1.02 0.66 -0.02 0.00 5.02 -1.25 -4.35 118.16 117.20 3bg5 n LYS 221 Ca 0.23 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.62 3bg5 n LYS 221 Cb 0.12 -1.63 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 3bg5 n LYS 221 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3bg5 n SER 222 N -2.77 2.83 0.20 4.39 3.41 -1.17 -4.37 113.62 116.15 3bg5 n SER 222 Ca -0.22 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.53 3bg5 n SER 222 Cb 1.00 1.23 0.38 0.00 -0.26 0.00 0.00 64.21 66.56 3bg5 n SER 222 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3bg5 h GLU 223 N 0.00 0.00 -0.87 4.33 5.08 -1.36 -2.43 114.58 119.33 3bg5 h GLU 223 Ca -0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3bg5 h GLU 223 Cb 0.75 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 3bg5 h GLU 223 CO 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 179.01 178.20 3bg5 n ALA 224 N -2.01 3.80 0.00 3.43 0.00 -1.26 -4.07 120.51 120.41 3bg5 n ALA 224 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.07 3bg5 n ALA 224 Cb 0.42 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3bg5 n ALA 224 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bg5 n GLU 225 N -0.03 2.42 0.06 0.00 -0.58 -0.92 -3.41 120.64 118.18 3bg5 n GLU 225 Ca 0.25 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.78 3bg5 n GLU 225 Cb 0.99 -0.84 -0.15 0.00 -0.57 0.00 0.00 31.44 30.87 3bg5 n GLU 225 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3bg5 h LYS 226 N 0.00 0.33 0.05 3.49 3.64 -1.69 -3.41 116.57 118.98 3bg5 h LYS 226 Ca 0.00 -0.57 -0.28 0.00 -1.27 0.00 0.00 60.65 58.53 3bg5 h LYS 226 Cb 0.43 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3bg5 h LYS 226 CO 0.00 1.27 -1.53 0.43 -2.27 0.00 0.00 179.45 177.35 3bg5 n SER 227 N -4.04 1.96 -4.61 4.20 7.64 -1.26 -4.99 113.62 112.53 3bg5 n SER 227 Ca -0.16 0.35 -0.23 0.00 1.01 0.00 0.00 58.87 59.84 3bg5 n SER 227 Cb 0.88 -0.93 -0.08 0.00 -1.01 0.00 0.00 64.21 63.06 3bg5 n SER 227 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3bg5 s PHE 228 N -2.43 2.58 -0.37 1.43 0.40 -1.26 -5.05 117.98 113.27 3bg5 s PHE 228 Ca -0.27 -0.28 0.11 0.00 -0.60 0.00 0.00 56.93 55.90 3bg5 s PHE 228 Cb 0.06 -1.20 0.68 0.00 0.51 0.00 0.00 43.02 43.07 3bg5 s PHE 228 CO 0.66 0.61 1.54 0.41 0.70 0.00 0.00 175.22 179.14 3bg5 n GLY 229 N -0.85 2.77 3.08 4.36 0.00 -1.26 -3.36 105.19 109.93 3bg5 n GLY 229 Ca -0.06 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3bg5 n GLY 229 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 230 N -0.65 4.45 0.10 1.61 0.01 -1.22 -4.94 114.94 114.31 3bg5 s ASN 230 Ca 0.45 -1.37 0.25 0.00 -0.71 0.00 0.00 52.86 51.48 3bg5 s ASN 230 Cb 0.35 -1.56 0.59 0.00 0.41 0.00 0.00 41.25 41.04 3bg5 s ASN 230 CO 0.13 -0.19 1.52 -1.54 -1.51 0.00 0.00 177.10 175.51 3bg5 n SER 231 N 4.45 0.60 -4.74 -1.22 3.41 -1.26 -4.68 113.62 110.18 3bg5 n SER 231 Ca -0.14 0.20 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 3bg5 n SER 231 Cb 0.42 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 3bg5 n SER 231 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3bg5 s GLU 232 N -3.10 4.27 0.12 4.33 2.12 -1.26 -4.90 118.70 120.28 3bg5 s GLU 232 Ca 0.09 2.30 0.02 0.00 0.36 0.00 0.00 54.97 57.74 3bg5 s GLU 232 Cb 0.15 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 3bg5 s GLU 232 CO 0.67 -0.42 -0.06 0.14 -0.54 0.00 0.00 175.26 175.05 3bg5 s VAL 233 N 0.02 0.76 0.07 3.70 -7.23 -1.26 -2.85 120.40 113.61 3bg5 s VAL 233 Ca 0.59 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 3bg5 s VAL 233 Cb -0.42 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3bg5 s VAL 233 CO 0.43 -0.77 0.06 -0.72 -0.31 0.00 0.00 175.10 173.79 3bg5 s TYR 234 N -3.59 0.41 -0.02 2.82 -0.85 -0.59 -1.33 117.35 114.19 3bg5 s TYR 234 Ca 0.15 -0.90 0.06 0.00 -0.52 0.00 0.00 57.07 55.87 3bg5 s TYR 234 Cb 0.05 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.11 3bg5 s TYR 234 CO -0.02 -0.46 -0.21 -1.50 -1.52 0.00 0.00 175.55 171.84 3bg5 s ILE 235 N -3.91 1.63 0.10 -3.49 2.07 -1.26 -1.41 121.20 114.93 3bg5 s ILE 235 Ca 0.08 -0.88 0.07 0.00 -1.41 0.00 0.00 60.65 58.50 3bg5 s ILE 235 Cb 0.07 -1.35 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 3bg5 s ILE 235 CO -0.09 0.46 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.62 3bg5 s GLU 236 N -0.45 1.00 -0.44 3.50 2.02 0.15 -3.10 118.70 121.37 3bg5 s GLU 236 Ca 0.07 -1.12 -0.28 0.00 0.02 0.00 0.00 54.97 53.66 3bg5 s GLU 236 Cb -0.08 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.07 3bg5 s GLU 236 CO -0.01 0.23 1.80 0.50 0.02 0.00 0.00 175.26 177.80 3bg5 s ARG 237 N -2.09 3.07 -0.46 1.61 3.52 -0.94 -1.04 118.95 122.62 3bg5 s ARG 237 Ca 0.05 1.08 -0.26 0.00 -0.13 0.00 0.00 55.73 56.47 3bg5 s ARG 237 Cb -0.08 -4.26 -0.07 0.00 -1.56 0.00 0.00 34.95 28.98 3bg5 s ARG 237 CO 0.03 -2.18 2.37 -0.47 -0.81 0.00 0.00 175.30 174.24 3bg5 s TYR 238 N 7.67 1.10 -0.17 5.12 5.04 -0.88 -4.89 117.35 130.34 3bg5 s TYR 238 Ca 0.74 1.42 -0.29 0.00 -2.44 0.00 0.00 57.07 56.49 3bg5 s TYR 238 Cb -0.18 -3.64 -0.02 0.00 0.35 0.00 0.00 41.96 38.47 3bg5 s TYR 238 CO 0.29 -2.73 1.34 -1.50 -1.34 0.00 0.00 175.55 171.61 3bg5 s ILE 239 N 11.64 4.13 0.34 3.14 2.07 -1.26 -4.70 121.20 136.55 3bg5 s ILE 239 Ca 0.97 1.36 -0.23 0.00 -1.41 0.00 0.00 60.65 61.34 3bg5 s ILE 239 Cb -0.19 -3.93 -0.10 0.00 0.13 0.00 0.00 42.46 38.38 3bg5 s ILE 239 CO 0.27 -0.18 0.89 -0.62 -1.91 0.00 0.00 174.94 173.39 3bg5 s ASP 240 N 2.39 7.13 -1.39 4.50 2.15 -1.26 -4.28 116.67 125.91 3bg5 s ASP 240 Ca 0.58 1.68 -0.09 0.00 0.43 0.00 0.00 52.55 55.15 3bg5 s ASP 240 Cb -0.23 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 39.90 3bg5 s ASP 240 CO 0.18 -0.15 1.09 -3.20 -0.17 0.00 0.00 175.17 172.92 3bg5 n ASN 241 N 0.16 -5.25 -4.89 -0.34 4.05 -1.26 -5.00 115.26 102.72 3bg5 n ASN 241 Ca 0.03 -0.63 -0.29 0.00 0.45 0.00 0.00 54.58 54.14 3bg5 n ASN 241 Cb 0.52 -4.65 0.03 0.00 1.23 0.00 0.00 39.78 36.91 3bg5 n ASN 241 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3bg5 s PRO 242 N -6.30 3.05 -0.16 1.20 0.04 -1.26 -4.81 135.00 126.75 3bg5 s PRO 242 Ca 0.53 0.33 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 3bg5 s PRO 242 Cb -0.24 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 3bg5 s PRO 242 CO 0.76 -0.78 -0.10 0.21 0.04 0.00 0.00 177.00 177.14 3bg5 s LYS 243 N -5.16 3.40 -0.30 4.56 2.20 -0.31 -1.99 119.74 122.14 3bg5 s LYS 243 Ca 0.55 -0.65 -0.26 0.00 -0.36 0.00 0.00 55.97 55.25 3bg5 s LYS 243 Cb -0.11 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.44 3bg5 s LYS 243 CO 0.49 0.07 0.90 -1.58 -0.36 0.00 0.00 175.35 174.87 3bg5 s HIS 244 N 0.75 3.20 -0.10 4.03 5.65 -1.26 -0.39 115.29 127.17 3bg5 s HIS 244 Ca -0.04 0.99 0.01 0.00 0.25 0.00 0.00 55.06 56.28 3bg5 s HIS 244 Cb -0.15 -3.36 0.02 0.00 -1.18 0.00 0.00 32.58 27.91 3bg5 s HIS 244 CO 0.02 -0.61 -0.13 0.42 -0.65 0.00 0.00 174.74 173.78 3bg5 s ILE 245 N 3.18 1.32 0.06 0.89 -1.09 0.08 -1.48 121.20 124.16 3bg5 s ILE 245 Ca 0.37 -0.54 0.08 0.00 -2.23 0.00 0.00 60.65 58.34 3bg5 s ILE 245 Cb -0.14 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.49 3bg5 s ILE 245 CO 0.13 0.40 -0.21 -1.83 -1.23 0.00 0.00 174.94 172.20 3bg5 s GLU 246 N 1.03 1.90 -0.16 2.79 -1.05 -0.62 0.18 118.70 122.77 3bg5 s GLU 246 Ca -0.07 -1.07 -0.02 0.00 -0.15 0.00 0.00 54.97 53.66 3bg5 s GLU 246 Cb -0.15 -2.10 -0.02 0.00 -0.44 0.00 0.00 34.13 31.43 3bg5 s GLU 246 CO -0.01 0.52 -0.07 0.08 0.95 0.00 0.00 175.26 176.72 3bg5 s VAL 247 N -0.93 3.43 -0.01 1.83 1.01 0.54 -0.02 120.40 126.25 3bg5 s VAL 247 Ca 0.14 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3bg5 s VAL 247 Cb -0.10 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3bg5 s VAL 247 CO 0.05 0.49 0.91 -1.58 0.00 0.00 0.00 175.10 174.97 3bg5 s GLN 248 N 0.65 4.54 -0.01 2.72 2.00 -0.77 -1.69 119.66 127.11 3bg5 s GLN 248 Ca -0.04 1.30 0.03 0.00 -2.00 0.00 0.00 55.36 54.64 3bg5 s GLN 248 Cb -0.15 -3.45 -0.01 0.00 0.80 0.00 0.00 33.01 30.20 3bg5 s GLN 248 CO 0.02 -0.00 -0.08 0.08 -0.50 0.00 0.00 175.29 174.80 3bg5 s VAL 249 N 0.89 0.67 -0.04 1.34 1.01 -0.40 0.23 120.40 124.11 3bg5 s VAL 249 Ca 0.48 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3bg5 s VAL 249 Cb -0.20 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3bg5 s VAL 249 CO 0.26 0.19 -0.02 -0.63 0.00 0.00 0.00 175.10 174.90 3bg5 s ILE 250 N -0.19 0.35 0.09 2.22 1.01 0.11 -1.58 121.20 123.21 3bg5 s ILE 250 Ca 0.03 -0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.76 3bg5 s ILE 250 Cb -0.03 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3bg5 s ILE 250 CO -0.00 0.19 -0.22 -0.83 0.00 0.00 0.00 174.94 174.07 3bg5 s GLY 251 N 0.99 1.29 0.13 6.18 0.00 -0.94 -1.16 107.32 113.80 3bg5 s GLY 251 Ca -0.10 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.38 3bg5 s GLY 251 CO -0.01 -1.22 0.18 2.09 0.00 0.00 0.00 173.10 174.14 3bg5 n ASP 252 N 1.27 0.31 -1.06 1.64 3.85 0.27 0.47 116.55 123.30 3bg5 n ASP 252 Ca -0.19 -1.24 0.06 0.00 -0.71 0.00 0.00 54.79 52.71 3bg5 n ASP 252 Cb 0.53 -0.11 0.22 0.00 -1.35 0.00 0.00 41.12 40.42 3bg5 n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bg5 n GLU 253 N -1.32 2.60 -0.10 0.11 1.02 -1.26 -4.08 120.64 117.61 3bg5 n GLU 253 Ca 0.03 -1.78 0.03 0.00 -0.02 0.00 0.00 57.16 55.42 3bg5 n GLU 253 Cb 0.11 -1.60 0.09 0.00 -0.02 0.00 0.00 31.44 30.02 3bg5 n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bg5 n HIS 254 N 0.68 0.27 -0.18 -0.32 8.25 -1.26 -4.97 115.22 117.69 3bg5 n HIS 254 Ca 0.16 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3bg5 n HIS 254 Cb 0.57 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3bg5 n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bg5 n GLY 255 N 0.05 0.68 3.72 -1.41 0.00 -1.26 -5.06 105.19 101.90 3bg5 n GLY 255 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3bg5 n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 256 N -2.85 7.20 0.00 1.61 -0.87 -1.26 -4.95 114.94 113.82 3bg5 s ASN 256 Ca 0.00 1.45 0.01 0.00 -1.57 0.00 0.00 52.86 52.74 3bg5 s ASN 256 Cb 0.00 -2.50 -0.00 0.00 -0.02 0.00 0.00 41.25 38.73 3bg5 s ASN 256 CO 0.00 -0.17 -0.02 -0.63 -2.57 0.00 0.00 177.10 173.71 3bg5 s ILE 257 N 0.82 0.14 0.04 0.60 1.01 -1.26 -0.57 121.20 121.98 3bg5 s ILE 257 Ca 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 3bg5 s ILE 257 Cb -0.20 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 3bg5 s ILE 257 CO 0.23 -0.03 0.01 0.68 0.00 0.00 0.00 174.94 175.84 3bg5 s VAL 258 N -0.21 0.16 0.02 2.92 -7.23 -0.31 -5.00 120.40 110.76 3bg5 s VAL 258 Ca -0.01 -1.33 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3bg5 s VAL 258 Cb -0.02 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 3bg5 s VAL 258 CO -0.00 -0.73 0.14 -1.38 -0.31 0.00 0.00 175.10 172.81 3bg5 s HIS 259 N -2.84 3.40 -0.69 2.82 -3.43 -1.26 -0.71 115.29 112.57 3bg5 s HIS 259 Ca -0.03 0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.48 3bg5 s HIS 259 Cb 0.00 -1.75 0.37 0.00 -1.43 0.00 0.00 32.58 29.77 3bg5 s HIS 259 CO -0.06 0.58 1.57 1.28 -2.00 0.00 0.00 174.74 176.12 3bg5 n LEU 260 N 0.80 6.20 0.00 5.38 4.77 0.14 -4.96 117.00 129.33 3bg5 n LEU 260 Ca -0.10 -5.10 0.00 0.00 -0.03 0.00 0.00 56.01 50.78 3bg5 n LEU 260 Cb 0.52 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3bg5 n LEU 260 CO 0.44 2.02 0.00 0.49 -1.33 0.00 0.00 177.39 179.01 3bg5 n PHE 261 N -0.45 -1.32 -4.25 -1.77 3.01 -1.26 -4.60 117.46 106.82 3bg5 n PHE 261 Ca 0.46 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.69 3bg5 n PHE 261 Cb 0.41 0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 40.03 3bg5 n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3bg5 s GLU 262 N 0.00 2.43 -0.12 -1.08 1.03 -1.26 -1.85 118.70 117.85 3bg5 s GLU 262 Ca 0.00 -1.34 0.01 0.00 0.03 0.00 0.00 54.97 53.67 3bg5 s GLU 262 Cb 0.00 -2.25 0.02 0.00 -0.80 0.00 0.00 34.13 31.10 3bg5 s GLU 262 CO 0.00 0.37 -0.14 1.03 -1.33 0.00 0.00 175.26 175.19 3bg5 s ARG 263 N -3.71 2.14 -0.40 -4.83 0.52 0.97 -4.33 118.95 109.31 3bg5 s ARG 263 Ca 0.32 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 3bg5 s ARG 263 Cb -0.07 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.53 3bg5 s ARG 263 CO 0.21 -0.12 1.26 0.34 0.02 0.00 0.00 175.30 177.01 3bg5 s ASP 264 N 1.17 6.56 -0.39 0.23 3.68 0.13 -1.59 116.67 126.47 3bg5 s ASP 264 Ca -0.03 0.80 0.06 0.00 2.13 0.00 0.00 52.55 55.50 3bg5 s ASP 264 Cb -0.14 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.30 3bg5 s ASP 264 CO -0.04 -1.25 1.60 0.00 0.13 0.00 0.00 175.17 175.61 3bg5 h SER 266 N 1.37 0.00 -1.16 0.00 0.02 -1.76 -3.40 113.55 108.61 3bg5 h SER 266 Ca 0.39 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.92 3bg5 h SER 266 Cb 1.70 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.18 3bg5 h SER 266 CO 0.78 0.44 1.04 -0.69 -1.14 0.00 0.00 176.83 177.26 3bg5 s VAL 267 N -3.33 3.56 0.01 2.27 1.01 -1.25 -3.75 120.40 118.92 3bg5 s VAL 267 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3bg5 s VAL 267 Cb 0.10 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3bg5 s VAL 267 CO 0.71 -1.23 0.02 0.00 0.00 0.00 0.00 175.10 174.60 3bg5 s GLN 268 N 6.47 0.36 -0.20 2.72 -2.07 -1.26 -1.46 119.66 124.22 3bg5 s GLN 268 Ca 0.62 -0.54 -0.20 0.00 -1.82 0.00 0.00 55.36 53.41 3bg5 s GLN 268 Cb -0.06 0.14 -0.17 0.00 -1.09 0.00 0.00 33.01 31.82 3bg5 s GLN 268 CO 0.02 -0.07 0.15 2.89 -1.32 0.00 0.00 175.29 176.97 3bg5 n ARG 269 N 1.57 0.55 0.00 9.60 1.85 -1.10 -4.52 116.66 124.61 3bg5 n ARG 269 Ca -0.24 0.57 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 3bg5 n ARG 269 Cb 0.55 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 3bg5 n ARG 269 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3bg5 n ARG 270 N -4.45 0.00 -0.08 2.89 1.74 -1.26 -4.81 116.66 110.69 3bg5 n ARG 270 Ca -0.29 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.69 3bg5 n ARG 270 Cb 0.63 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.98 3bg5 n ARG 270 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3bg5 n HIS 271 N -0.91 0.00 -2.08 -1.55 -0.00 -1.26 -5.02 115.22 104.39 3bg5 n HIS 271 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 3bg5 n HIS 271 Cb 0.00 -0.69 -0.03 0.00 -0.12 0.00 0.00 29.99 29.16 3bg5 n HIS 271 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 3bg5 s GLN 272 N -2.35 4.31 0.42 1.57 0.74 -1.26 -5.04 119.66 118.04 3bg5 s GLN 272 Ca -0.16 2.22 -0.24 0.00 0.05 0.00 0.00 55.36 57.23 3bg5 s GLN 272 Cb 0.05 -3.14 -0.08 0.00 1.10 0.00 0.00 33.01 30.94 3bg5 s GLN 272 CO 0.48 -0.37 1.12 0.15 -0.55 0.00 0.00 175.29 176.12 3bg5 s LYS 273 N -0.24 4.00 0.06 1.67 1.02 -1.26 -2.73 119.74 122.27 3bg5 s LYS 273 Ca 0.59 1.69 0.00 0.00 0.02 0.00 0.00 55.97 58.26 3bg5 s LYS 273 Cb -0.40 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 3bg5 s LYS 273 CO 0.41 -0.32 0.00 0.28 -0.92 0.00 0.00 175.35 174.80 3bg5 n VAL 274 N -0.16 0.64 -5.07 3.17 0.31 -0.54 -4.91 118.33 111.78 3bg5 n VAL 274 Ca 0.05 0.21 -0.31 0.00 -0.01 0.00 0.00 64.34 64.29 3bg5 n VAL 274 Cb 0.48 -1.27 -0.15 0.00 -0.91 0.00 0.00 33.84 31.99 3bg5 n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3bg5 s VAL 275 N -1.54 2.21 0.08 2.52 1.01 -0.84 -4.18 120.40 119.66 3bg5 s VAL 275 Ca 0.00 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 60.86 3bg5 s VAL 275 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3bg5 s VAL 275 CO 0.00 0.48 -0.23 -1.61 0.00 0.00 0.00 175.10 173.74 3bg5 s GLU 276 N -0.94 1.35 0.03 2.72 8.01 -0.80 -3.85 118.70 125.23 3bg5 s GLU 276 Ca 0.11 -1.11 0.04 0.00 0.01 0.00 0.00 54.97 54.02 3bg5 s GLU 276 Cb -0.10 -1.60 -0.02 0.00 -4.31 0.00 0.00 34.13 28.10 3bg5 s GLU 276 CO 0.01 0.39 -0.12 0.08 0.01 0.00 0.00 175.26 175.63 3bg5 s VAL 277 N -0.97 0.96 -0.12 2.63 1.01 0.08 -1.49 120.40 122.49 3bg5 s VAL 277 Ca 0.09 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3bg5 s VAL 277 Cb -0.10 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.45 3bg5 s VAL 277 CO 0.03 -0.02 0.31 0.00 0.00 0.00 0.00 175.10 175.42 3bg5 s ALA 278 N -0.82 -0.76 0.93 5.51 0.00 -0.65 0.17 121.76 126.14 3bg5 s ALA 278 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 3bg5 s ALA 278 Cb -0.07 -0.62 0.15 0.00 0.00 0.00 0.00 23.12 22.57 3bg5 s ALA 278 CO 0.01 -0.18 1.12 -1.25 0.00 0.00 0.00 175.76 175.46 3bg5 s PRO 279 N 0.70 1.02 0.30 0.00 0.04 -1.26 -0.61 135.00 135.17 3bg5 s PRO 279 Ca -0.04 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 3bg5 s PRO 279 Cb -0.06 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 3bg5 s PRO 279 CO -0.05 -2.30 1.61 0.45 0.04 0.00 0.00 177.00 176.76 3bg5 n SER 280 N -3.85 3.92 -4.38 6.66 2.88 -1.26 -4.86 113.62 112.73 3bg5 n SER 280 Ca 0.06 1.15 -0.40 0.00 -1.33 0.00 0.00 58.87 58.35 3bg5 n SER 280 Cb 0.59 -1.60 -0.11 0.00 -0.75 0.00 0.00 64.21 62.33 3bg5 n SER 280 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3bg5 s VAL 281 N 0.01 4.57 0.00 2.46 1.01 -1.26 -4.42 120.40 122.77 3bg5 s VAL 281 Ca 0.64 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3bg5 s VAL 281 Cb -0.49 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3bg5 s VAL 281 CO 0.48 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3bg5 n GLY 282 N 4.99 3.86 3.77 4.51 0.00 -1.26 -4.30 105.19 116.76 3bg5 n GLY 282 Ca -0.12 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3bg5 n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bg5 s LEU 283 N 0.00 4.27 0.54 0.99 1.43 -1.26 -5.01 118.68 119.64 3bg5 s LEU 283 Ca 0.00 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.07 3bg5 s LEU 283 Cb 0.00 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 3bg5 s LEU 283 CO 0.00 -0.41 1.03 -0.94 0.23 0.00 0.00 176.35 176.26 3bg5 s SER 284 N -1.31 6.17 0.32 2.29 1.04 -1.26 -4.89 113.70 116.06 3bg5 s SER 284 Ca 0.54 1.77 0.09 0.00 0.48 0.00 0.00 55.95 58.82 3bg5 s SER 284 Cb -0.26 -2.53 0.83 0.00 0.10 0.00 0.00 66.02 64.16 3bg5 s SER 284 CO 0.33 -0.90 1.76 -0.65 0.98 0.00 0.00 173.24 174.76 3bg5 h PRO 285 N 0.85 0.64 0.00 4.02 0.11 -1.99 -0.87 132.00 134.77 3bg5 h PRO 285 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3bg5 h PRO 285 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3bg5 h PRO 285 CO 0.59 0.42 -0.13 1.79 -0.21 0.00 0.00 178.00 180.47 3bg5 h THR 286 N 0.66 0.29 0.09 -1.15 1.35 -2.00 -1.77 112.91 110.39 3bg5 h THR 286 Ca 0.60 -0.93 -0.31 0.00 -0.55 0.00 0.00 66.41 65.22 3bg5 h THR 286 Cb 1.07 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.21 3bg5 h THR 286 CO -0.40 0.12 -1.63 0.25 -0.25 0.00 0.00 175.52 173.61 3bg5 h LEU 287 N 0.00 0.30 -0.38 3.87 6.46 -1.58 -3.25 115.31 120.72 3bg5 h LEU 287 Ca -0.00 -0.49 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 3bg5 h LEU 287 Cb 0.72 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 3bg5 h LEU 287 CO 0.02 1.42 0.21 -0.09 -0.62 0.00 0.00 178.44 179.38 3bg5 h ARG 288 N 0.05 0.54 0.09 1.25 2.43 -1.09 -2.88 114.38 114.76 3bg5 h ARG 288 Ca -0.28 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3bg5 h ARG 288 Cb 2.01 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 3bg5 h ARG 288 CO 0.13 0.44 -0.16 1.96 -1.51 0.00 0.00 179.97 180.83 3bg5 h GLN 289 N 0.49 -0.30 -0.44 0.20 1.08 -1.46 -1.15 115.11 113.54 3bg5 h GLN 289 Ca 0.14 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3bg5 h GLN 289 Cb 0.06 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3bg5 h GLN 289 CO -0.02 -0.20 0.26 0.00 -0.95 0.00 0.00 178.83 177.92 3bg5 h ARG 290 N -0.31 0.58 0.04 1.46 3.08 -1.59 0.46 114.38 118.11 3bg5 h ARG 290 Ca 0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3bg5 h ARG 290 Cb 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3bg5 h ARG 290 CO -0.09 0.41 -0.02 0.82 -1.07 0.00 0.00 179.97 180.02 3bg5 h ILE 291 N 0.60 1.33 -0.52 2.04 2.04 -1.34 -1.62 117.51 120.03 3bg5 h ILE 291 Ca 0.16 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.70 3bg5 h ILE 291 Cb -0.02 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3bg5 h ILE 291 CO -0.03 0.34 0.35 0.00 0.00 0.00 0.00 178.15 178.80 3bg5 h ASP 293 N 0.53 1.00 -0.17 0.00 5.19 -0.09 -1.99 116.42 120.88 3bg5 h ASP 293 Ca 0.22 -0.47 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 3bg5 h ASP 293 Cb 0.20 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 3bg5 h ASP 293 CO -0.06 1.27 0.07 0.00 -3.12 0.00 0.00 179.24 177.40 3bg5 h ALA 294 N 0.76 0.22 0.11 3.45 0.00 -0.54 0.10 119.26 123.37 3bg5 h ALA 294 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3bg5 h ALA 294 Cb 1.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3bg5 h ALA 294 CO 0.10 -0.19 -0.35 0.00 0.00 0.00 0.00 179.25 178.81 3bg5 h ALA 295 N 0.91 -0.61 -0.98 0.00 0.00 -1.06 -0.90 119.26 116.62 3bg5 h ALA 295 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bg5 h ALA 295 Cb 0.17 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3bg5 h ALA 295 CO -0.00 -0.90 0.64 0.82 0.00 0.00 0.00 179.25 179.80 3bg5 h ILE 296 N -0.58 1.26 -0.64 0.00 1.08 -1.32 -2.11 117.51 115.20 3bg5 h ILE 296 Ca 0.03 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.08 3bg5 h ILE 296 Cb 0.61 -0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.13 3bg5 h ILE 296 CO -0.21 0.25 0.34 -0.61 -0.69 0.00 0.00 178.15 177.22 3bg5 h GLN 297 N 1.33 0.60 -0.02 2.37 4.15 -0.51 -0.19 115.11 122.85 3bg5 h GLN 297 Ca 0.36 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 3bg5 h GLN 297 Cb -0.14 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.42 3bg5 h GLN 297 CO -0.08 0.40 -0.01 1.25 -1.93 0.00 0.00 178.83 178.47 3bg5 h LEU 298 N 0.62 0.03 -0.72 -2.39 5.85 -0.54 -1.57 115.31 116.59 3bg5 h LEU 298 Ca 0.29 -0.39 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 3bg5 h LEU 298 Cb 0.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3bg5 h LEU 298 CO -0.19 0.42 -0.63 0.24 -0.34 0.00 0.00 178.44 177.93 3bg5 h MET 299 N -0.35 0.04 -0.52 1.25 2.86 -1.37 -2.64 114.93 114.20 3bg5 h MET 299 Ca 0.00 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3bg5 h MET 299 Cb 0.40 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3bg5 h MET 299 CO 0.00 0.66 -0.08 1.49 1.06 0.00 0.00 176.91 180.04 3bg5 h GLU 300 N 0.03 0.98 -0.14 1.72 4.81 -1.04 -0.33 114.58 120.61 3bg5 h GLU 300 Ca -0.01 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 3bg5 h GLU 300 Cb 1.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3bg5 h GLU 300 CO 0.08 1.02 -0.06 -0.97 -0.73 0.00 0.00 179.01 178.36 3bg5 h ASN 301 N 0.84 0.18 -0.26 1.04 -1.24 -0.94 -2.89 115.58 112.31 3bg5 h ASN 301 Ca 0.14 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3bg5 h ASN 301 Cb 0.64 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.64 3bg5 h ASN 301 CO 0.04 0.27 0.00 2.30 -1.29 0.00 0.00 177.43 178.76 3bg5 n ILE 302 N -4.36 1.75 -3.71 2.57 -6.64 -1.05 -5.00 119.36 102.93 3bg5 n ILE 302 Ca -0.01 -1.56 -0.28 0.00 -1.77 0.00 0.00 62.75 59.14 3bg5 n ILE 302 Cb 0.20 0.04 0.03 0.00 -1.44 0.00 0.00 39.64 38.48 3bg5 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3bg5 n LYS 303 N -0.22 -2.33 -2.21 6.28 5.02 -0.76 -4.91 118.16 119.04 3bg5 n LYS 303 Ca 0.17 0.50 -0.38 0.00 -2.02 0.00 0.00 58.31 56.58 3bg5 n LYS 303 Cb 0.68 -4.49 -0.01 0.00 -0.02 0.00 0.00 35.03 31.19 3bg5 n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3bg5 s TYR 304 N -3.59 2.87 0.00 2.13 6.14 -0.21 -5.01 117.35 119.69 3bg5 s TYR 304 Ca 0.30 1.52 0.05 0.00 0.64 0.00 0.00 57.07 59.58 3bg5 s TYR 304 Cb -0.10 -3.44 -0.02 0.00 0.42 0.00 0.00 41.96 38.83 3bg5 s TYR 304 CO 0.85 -1.61 -0.16 0.08 0.64 0.00 0.00 175.55 175.35 3bg5 s VAL 305 N -1.47 1.27 0.00 3.14 1.01 -1.26 -4.51 120.40 118.58 3bg5 s VAL 305 Ca 0.62 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3bg5 s VAL 305 Cb -0.31 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3bg5 s VAL 305 CO 0.38 0.27 0.00 -3.20 0.00 0.00 0.00 175.10 172.55 3bg5 n ASN 306 N 2.45 -2.15 -4.77 3.32 2.85 0.17 -3.37 115.26 113.77 3bg5 n ASN 306 Ca -0.15 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 53.94 3bg5 n ASN 306 Cb 0.54 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.53 3bg5 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3bg5 s ALA 307 N -1.48 3.15 -0.11 5.20 0.00 -1.26 -2.22 121.76 125.03 3bg5 s ALA 307 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 3bg5 s ALA 307 Cb 0.00 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 19.90 3bg5 s ALA 307 CO 0.00 -0.37 0.91 0.20 0.00 0.00 0.00 175.76 176.50 3bg5 s GLY 308 N -1.28 -0.36 -0.07 0.00 0.00 -0.61 -3.27 107.32 101.73 3bg5 s GLY 308 Ca 0.56 1.74 0.05 0.00 0.00 0.00 0.00 44.72 47.07 3bg5 s GLY 308 CO 0.34 0.93 -0.24 -1.59 0.00 0.00 0.00 173.10 172.55 3bg5 s THR 309 N -1.38 2.18 -0.20 0.90 2.01 -0.55 -1.27 115.64 117.33 3bg5 s THR 309 Ca -0.03 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 3bg5 s THR 309 Cb -0.00 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3bg5 s THR 309 CO 0.02 0.57 0.06 -0.69 -0.69 0.00 0.00 174.62 173.89 3bg5 s VAL 310 N -0.12 4.60 -0.16 3.82 1.01 -0.68 -1.38 120.40 127.50 3bg5 s VAL 310 Ca -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3bg5 s VAL 310 Cb -0.14 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3bg5 s VAL 310 CO 0.04 0.43 -0.03 -1.61 0.00 0.00 0.00 175.10 173.93 3bg5 s GLU 311 N 0.72 3.69 0.12 2.72 2.02 0.05 -0.34 118.70 127.68 3bg5 s GLU 311 Ca 0.03 -0.50 0.08 0.00 0.02 0.00 0.00 54.97 54.60 3bg5 s GLU 311 Cb -0.13 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 3bg5 s GLU 311 CO 0.02 0.26 -0.21 -0.06 0.02 0.00 0.00 175.26 175.29 3bg5 s PHE 312 N 0.33 1.83 -0.12 1.61 0.40 0.13 -0.07 117.98 122.08 3bg5 s PHE 312 Ca -0.03 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 55.84 3bg5 s PHE 312 Cb -0.14 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 3bg5 s PHE 312 CO 0.03 0.25 -0.03 -0.51 0.70 0.00 0.00 175.22 175.65 3bg5 s LEU 313 N -2.12 3.31 -0.05 -0.37 1.02 0.10 -0.74 118.68 119.84 3bg5 s LEU 313 Ca 0.09 -0.05 0.06 0.00 0.02 0.00 0.00 54.13 54.26 3bg5 s LEU 313 Cb -0.09 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 3bg5 s LEU 313 CO 0.05 0.25 -0.25 -0.69 0.02 0.00 0.00 176.35 175.73 3bg5 s VAL 314 N -0.13 2.01 -0.24 -1.59 1.01 0.47 -0.30 120.40 121.63 3bg5 s VAL 314 Ca 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3bg5 s VAL 314 Cb -0.13 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.66 3bg5 s VAL 314 CO 0.02 0.56 0.20 -0.55 0.00 0.00 0.00 175.10 175.34 3bg5 s SER 315 N -0.27 2.03 0.70 3.32 0.15 0.79 -1.16 113.70 119.26 3bg5 s SER 315 Ca -0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 3bg5 s SER 315 Cb -0.13 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3bg5 s SER 315 CO 0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3bg5 n GLY 317 N 5.30 1.08 0.12 9.45 0.00 -1.26 -1.57 105.19 118.31 3bg5 n GLY 317 Ca -0.05 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.32 3bg5 n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bg5 n ASP 318 N 7.96 0.90 -4.78 1.61 8.00 -1.26 -5.02 116.55 123.96 3bg5 n ASP 318 Ca 0.00 -0.95 -0.36 0.00 0.71 0.00 0.00 54.79 54.19 3bg5 n ASP 318 Cb 0.00 0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 3bg5 n ASP 318 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3bg5 s GLU 319 N -0.96 3.85 0.21 -1.24 2.02 -0.61 -5.03 118.70 116.94 3bg5 s GLU 319 Ca 0.05 -0.20 0.10 0.00 0.02 0.00 0.00 54.97 54.93 3bg5 s GLU 319 Cb 0.04 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 3bg5 s GLU 319 CO 0.14 0.49 -0.13 -0.59 0.02 0.00 0.00 175.26 175.19 3bg5 s PHE 320 N -0.21 2.52 -0.02 1.61 -0.71 -1.26 -0.15 117.98 119.76 3bg5 s PHE 320 Ca 0.10 -0.27 -0.00 0.00 -1.04 0.00 0.00 56.93 55.73 3bg5 s PHE 320 Cb -0.11 -1.21 0.03 0.00 -1.21 0.00 0.00 43.02 40.52 3bg5 s PHE 320 CO 0.01 0.55 0.04 -0.06 -1.34 0.00 0.00 175.22 174.41 3bg5 s PHE 321 N -1.87 0.01 0.26 3.49 0.40 0.59 -4.72 117.98 116.14 3bg5 s PHE 321 Ca 0.25 0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.44 3bg5 s PHE 321 Cb -0.08 -0.22 -0.10 0.00 0.51 0.00 0.00 43.02 43.13 3bg5 s PHE 321 CO 0.14 -0.09 1.46 0.12 0.70 0.00 0.00 175.22 177.56 3bg5 s PHE 322 N 1.05 2.96 -0.04 0.36 2.19 0.19 -0.72 117.98 123.97 3bg5 s PHE 322 Ca -0.09 1.00 -0.08 0.00 0.33 0.00 0.00 56.93 58.09 3bg5 s PHE 322 Cb -0.12 -3.86 -0.03 0.00 -1.31 0.00 0.00 43.02 37.69 3bg5 s PHE 322 CO -0.03 -2.81 -0.16 -0.89 1.83 0.00 0.00 175.22 173.16 3bg5 n ILE 323 N 2.20 1.23 -3.80 3.12 2.08 0.90 -4.02 119.36 121.07 3bg5 n ILE 323 Ca 0.07 0.27 -0.05 0.00 0.56 0.00 0.00 62.75 63.60 3bg5 n ILE 323 Cb 0.40 -1.90 -0.02 0.00 -0.75 0.00 0.00 39.64 37.37 3bg5 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3bg5 s GLU 324 N -2.31 1.45 -0.08 0.38 -1.05 -1.21 -4.92 118.70 110.96 3bg5 s GLU 324 Ca -0.13 -0.81 0.04 0.00 -0.15 0.00 0.00 54.97 53.92 3bg5 s GLU 324 Cb 0.02 0.49 -0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3bg5 s GLU 324 CO 0.20 -0.67 -0.22 0.08 0.95 0.00 0.00 175.26 175.60 3bg5 s VAL 325 N -3.53 1.86 -0.48 1.83 1.01 -1.26 -0.77 120.40 119.05 3bg5 s VAL 325 Ca 0.12 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3bg5 s VAL 325 Cb -0.03 -1.60 0.08 0.00 0.00 0.00 0.00 36.38 34.83 3bg5 s VAL 325 CO 0.04 0.52 0.42 0.20 0.00 0.00 0.00 175.10 176.28 3bg5 s ASN 326 N 0.20 6.16 -1.21 3.32 0.01 -0.48 -4.88 114.94 118.07 3bg5 s ASN 326 Ca -0.12 -1.36 -0.09 0.00 -0.71 0.00 0.00 52.86 50.58 3bg5 s ASN 326 Cb -0.16 -2.19 -0.13 0.00 0.41 0.00 0.00 41.25 39.18 3bg5 s ASN 326 CO 0.06 -0.69 3.12 -0.81 -1.51 0.00 0.00 177.10 177.27 3bg5 n PRO 327 N 5.27 3.25 -3.70 -0.60 -0.04 -1.26 -1.48 135.00 136.44 3bg5 n PRO 327 Ca -0.12 -1.88 0.04 0.00 -0.04 0.00 0.00 63.50 61.49 3bg5 n PRO 327 Cb 0.43 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 3bg5 n PRO 327 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3bg5 s ARG 328 N 1.89 0.12 0.61 0.54 1.04 -1.20 -4.59 118.95 117.37 3bg5 s ARG 328 Ca 0.69 -0.07 -0.19 0.00 -1.04 0.00 0.00 55.73 55.11 3bg5 s ARG 328 Cb 0.21 0.04 -0.03 0.00 -2.04 0.00 0.00 34.95 33.14 3bg5 s ARG 328 CO -0.04 -0.06 1.27 1.33 -0.04 0.00 0.00 175.30 177.76 3bg5 n VAL 329 N -0.63 4.48 -4.17 4.99 0.24 -1.26 -4.31 118.33 117.68 3bg5 n VAL 329 Ca -0.05 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.52 3bg5 n VAL 329 Cb 0.62 -1.50 -0.06 0.00 -1.47 0.00 0.00 33.84 31.43 3bg5 n VAL 329 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3bg5 s GLN 330 N -3.15 2.47 0.30 7.34 -0.21 -1.26 -4.58 119.66 120.58 3bg5 s GLN 330 Ca 0.79 -1.38 0.04 0.00 0.02 0.00 0.00 55.36 54.83 3bg5 s GLN 330 Cb -0.40 -2.26 0.66 0.00 1.00 0.00 0.00 33.01 32.01 3bg5 s GLN 330 CO 0.44 0.27 1.82 0.28 -2.12 0.00 0.00 175.29 175.98 3bg5 h VAL 331 N 1.66 0.83 -0.41 1.09 2.07 -1.98 -2.68 116.25 116.82 3bg5 h VAL 331 Ca -0.45 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3bg5 h VAL 331 Cb 1.25 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3bg5 h VAL 331 CO 0.61 0.16 0.00 -1.84 0.02 0.00 0.00 177.57 176.52 3bg5 n GLU 332 N -4.66 3.59 0.27 1.57 0.00 -1.26 -4.35 120.64 115.81 3bg5 n GLU 332 Ca 0.20 -2.17 0.12 0.00 0.00 0.00 0.00 57.16 55.31 3bg5 n GLU 332 Cb 0.45 -1.98 0.77 0.00 0.00 0.00 0.00 31.44 30.68 3bg5 n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3bg5 h HIS 333 N 2.81 0.00 -0.79 -1.84 2.07 -1.89 -2.98 115.15 112.54 3bg5 h HIS 333 Ca 0.00 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.62 3bg5 h HIS 333 Cb 1.46 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.39 3bg5 h HIS 333 CO 0.73 0.07 0.51 1.15 -3.07 0.00 0.00 177.93 177.32 3bg5 h THR 334 N 0.00 0.94 -0.42 6.12 2.02 -1.86 -2.55 112.91 117.16 3bg5 h THR 334 Ca -0.00 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 3bg5 h THR 334 Cb 0.16 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3bg5 h THR 334 CO 0.01 0.13 -0.16 0.40 0.37 0.00 0.00 175.52 176.26 3bg5 h ILE 335 N 0.71 1.28 -0.18 3.11 2.04 -1.89 -1.97 117.51 120.60 3bg5 h ILE 335 Ca 0.36 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3bg5 h ILE 335 Cb 0.47 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3bg5 h ILE 335 CO -0.14 0.44 0.12 0.74 0.00 0.00 0.00 178.15 179.31 3bg5 h THR 336 N 0.68 1.05 -0.74 -0.27 2.02 -1.65 -3.02 112.91 110.98 3bg5 h THR 336 Ca 0.10 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.28 3bg5 h THR 336 Cb 0.72 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3bg5 h THR 336 CO 0.05 0.05 0.48 -0.33 0.37 0.00 0.00 175.52 176.14 3bg5 h GLU 337 N 0.24 0.63 -0.11 6.66 5.08 -1.10 -0.85 114.58 125.13 3bg5 h GLU 337 Ca 0.06 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 3bg5 h GLU 337 Cb -0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3bg5 h GLU 337 CO -0.01 0.42 -0.69 0.52 -1.00 0.00 0.00 179.01 178.25 3bg5 h MET 338 N 0.65 0.48 0.00 2.33 2.86 -1.25 -0.25 114.93 119.75 3bg5 h MET 338 Ca 0.34 -0.37 -0.24 0.00 -2.06 0.00 0.00 59.70 57.37 3bg5 h MET 338 Cb 0.45 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 3bg5 h MET 338 CO -0.12 0.99 -1.28 -0.39 1.06 0.00 0.00 176.91 177.17 3bg5 h VAL 339 N 0.34 1.34 0.00 -2.22 -1.51 -1.34 -3.36 116.25 109.50 3bg5 h VAL 339 Ca -0.02 -3.10 -0.04 0.00 -1.23 0.00 0.00 66.70 62.31 3bg5 h VAL 339 Cb 1.26 2.66 -0.01 0.00 -2.13 0.00 0.00 31.29 33.07 3bg5 h VAL 339 CO 0.12 0.76 -1.63 0.35 -1.23 0.00 0.00 177.57 175.94 3bg5 n THR 340 N -3.22 0.40 -1.04 7.19 -2.24 -0.37 -0.71 114.28 114.29 3bg5 n THR 340 Ca -0.07 -0.56 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 3bg5 n THR 340 Cb 0.98 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 3bg5 n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bg5 n GLY 341 N 1.28 0.51 3.36 3.38 0.00 -0.11 -4.79 105.19 108.81 3bg5 n GLY 341 Ca -0.05 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3bg5 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 342 N -2.03 3.02 -0.81 -0.61 1.01 -1.19 -5.04 121.20 115.54 3bg5 s ILE 342 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 3bg5 s ILE 342 Cb 0.00 -2.27 0.05 0.00 0.01 0.00 0.00 42.46 40.24 3bg5 s ILE 342 CO 0.00 0.52 1.26 -0.62 0.00 0.00 0.00 174.94 176.10 3bg5 s ASP 343 N 0.46 6.28 0.12 3.58 3.68 -1.26 -4.41 116.67 125.13 3bg5 s ASP 343 Ca -0.09 -0.92 -0.20 0.00 2.13 0.00 0.00 52.55 53.46 3bg5 s ASP 343 Cb -0.16 -2.53 -0.05 0.00 -1.45 0.00 0.00 42.92 38.74 3bg5 s ASP 343 CO 0.05 -1.63 1.72 0.40 0.13 0.00 0.00 175.17 175.84 3bg5 h ILE 344 N 6.20 0.87 -0.09 4.11 2.04 -1.96 -0.93 117.51 127.74 3bg5 h ILE 344 Ca -0.13 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3bg5 h ILE 344 Cb 1.04 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3bg5 h ILE 344 CO 1.29 0.01 0.03 0.58 0.00 0.00 0.00 178.15 180.05 3bg5 h VAL 345 N 0.04 1.18 -0.69 1.67 2.07 -1.99 0.22 116.25 118.76 3bg5 h VAL 345 Ca 0.08 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3bg5 h VAL 345 Cb 0.10 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3bg5 h VAL 345 CO -0.15 0.16 0.39 0.50 0.02 0.00 0.00 177.57 178.50 3bg5 h LYS 346 N -0.05 0.70 -0.78 1.57 3.64 -1.91 -2.19 116.57 117.55 3bg5 h LYS 346 Ca 0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3bg5 h LYS 346 Cb 0.23 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3bg5 h LYS 346 CO -0.00 0.46 0.43 1.15 -2.27 0.00 0.00 179.45 179.22 3bg5 h THR 347 N 0.72 1.24 -0.45 1.00 2.02 -0.64 -1.63 112.91 115.16 3bg5 h THR 347 Ca 0.31 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 66.99 3bg5 h THR 347 Cb 0.19 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 66.70 3bg5 h THR 347 CO -0.18 0.26 -0.17 1.56 0.37 0.00 0.00 175.52 177.36 3bg5 h GLN 348 N 1.09 -0.07 -0.58 6.66 4.20 0.03 0.98 115.11 127.42 3bg5 h GLN 348 Ca 0.28 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 3bg5 h GLN 348 Cb 0.04 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3bg5 h GLN 348 CO -0.04 -0.05 0.22 0.82 -0.67 0.00 0.00 178.83 179.11 3bg5 h ILE 349 N -0.07 1.23 -0.63 2.54 2.04 -1.06 -1.40 117.51 120.16 3bg5 h ILE 349 Ca 0.22 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 3bg5 h ILE 349 Cb 0.41 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3bg5 h ILE 349 CO -0.50 0.28 0.09 -0.07 0.00 0.00 0.00 178.15 177.95 3bg5 h LEU 350 N 0.81 1.02 -0.75 1.44 3.38 -0.69 -1.47 115.31 119.04 3bg5 h LEU 350 Ca 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3bg5 h LEU 350 Cb 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3bg5 h LEU 350 CO -0.01 1.03 0.43 0.58 0.09 0.00 0.00 178.44 180.55 3bg5 h VAL 351 N 0.97 1.22 0.00 1.22 2.07 -0.69 -0.17 116.25 120.86 3bg5 h VAL 351 Ca 0.19 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3bg5 h VAL 351 Cb 0.45 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3bg5 h VAL 351 CO 0.02 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 177.75 3bg5 h ALA 352 N 1.22 1.46 -0.27 1.67 0.00 -0.68 -0.91 119.26 121.75 3bg5 h ALA 352 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3bg5 h ALA 352 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bg5 h ALA 352 CO -0.05 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3bg5 n ALA 353 N -2.35 2.48 -0.84 0.00 0.00 -0.61 -4.91 120.51 114.28 3bg5 n ALA 353 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3bg5 n ALA 353 Cb 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3bg5 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 354 N 1.08 0.53 3.74 0.00 0.00 -0.35 -4.42 105.19 105.77 3bg5 n GLY 354 Ca 0.13 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3bg5 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 s ALA 355 N -2.00 3.41 0.27 4.61 0.00 -0.14 -4.91 121.76 123.00 3bg5 s ALA 355 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3bg5 s ALA 355 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3bg5 s ALA 355 CO 0.00 -0.29 1.07 0.34 0.00 0.00 0.00 175.76 176.88 3bg5 s ASP 356 N -0.14 7.35 0.20 0.00 -1.08 -1.26 -4.48 116.67 117.25 3bg5 s ASP 356 Ca 0.50 2.20 -0.11 0.00 -0.52 0.00 0.00 52.55 54.62 3bg5 s ASP 356 Cb -0.32 -2.62 0.24 0.00 -1.46 0.00 0.00 42.92 38.76 3bg5 s ASP 356 CO 0.37 -0.08 1.75 -0.07 0.52 0.00 0.00 175.17 177.66 3bg5 h LEU 357 N 3.95 0.22 -2.28 -1.34 3.38 -1.95 -2.44 115.31 114.85 3bg5 h LEU 357 Ca -0.46 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3bg5 h LEU 357 Cb 1.21 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3bg5 h LEU 357 CO 0.67 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.84 3bg5 n PHE 357 N -4.99 1.05 -1.75 1.13 0.99 -1.26 -1.75 117.46 110.88 3bg5 n PHE 357 Ca 0.07 -0.41 -0.02 0.00 -0.00 0.00 0.00 57.45 57.10 3bg5 n PHE 357 Cb 0.24 -0.20 0.01 0.00 -1.00 0.00 0.00 39.48 38.53 3bg5 n PHE 357 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3bg5 n GLY 357 N 0.83 -0.07 0.03 1.37 0.00 -0.92 -4.87 105.19 101.57 3bg5 n GLY 357 Ca 0.18 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.49 3bg5 n GLY 357 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bg5 n GLU 358 N -1.15 0.16 -0.04 1.61 -0.58 -1.26 -2.41 120.64 116.97 3bg5 n GLU 358 Ca 0.01 -0.07 -0.21 0.00 -0.42 0.00 0.00 57.16 56.48 3bg5 n GLU 358 Cb 0.04 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.28 3bg5 n GLU 358 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3bg5 n GLU 359 N -1.36 0.72 0.05 3.49 4.71 -1.26 -4.53 120.64 122.45 3bg5 n GLU 359 Ca 0.08 0.26 -0.21 0.00 -0.01 0.00 0.00 57.16 57.28 3bg5 n GLU 359 Cb 0.33 -1.66 -0.15 0.00 -1.01 0.00 0.00 31.44 28.95 3bg5 n GLU 359 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3bg5 h ILE 360 N -0.06 1.37 -3.92 -3.67 2.04 -1.78 -3.49 117.51 108.01 3bg5 h ILE 360 Ca -0.46 -2.51 -0.39 0.00 1.00 0.00 0.00 64.86 62.50 3bg5 h ILE 360 Cb 1.94 3.06 0.01 0.00 -0.74 0.00 0.00 36.82 41.09 3bg5 h ILE 360 CO 0.01 0.72 -0.54 0.59 0.00 0.00 0.00 178.15 178.93 3bg5 n ASN 361 N -4.04 -5.55 -4.67 1.72 4.13 -1.01 -4.94 115.26 100.91 3bg5 n ASN 361 Ca -0.17 -0.13 -0.46 0.00 1.68 0.00 0.00 54.58 55.50 3bg5 n ASN 361 Cb 0.87 -4.56 -0.04 0.00 -1.54 0.00 0.00 39.78 34.50 3bg5 n ASN 361 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3bg5 n MET 362 N -3.46 2.10 -1.92 3.52 2.81 -0.72 -4.96 117.12 114.50 3bg5 n MET 362 Ca -0.16 0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 56.12 3bg5 n MET 362 Cb 0.64 -2.49 0.04 0.00 -0.71 0.00 0.00 33.22 30.70 3bg5 n MET 362 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3bg5 s PRO 362 N 0.57 2.91 0.61 0.03 0.02 -1.26 -4.68 135.00 133.20 3bg5 s PRO 362 Ca 0.76 1.95 -0.18 0.00 0.02 0.00 0.00 61.00 63.55 3bg5 s PRO 362 Cb -0.68 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.85 3bg5 s PRO 362 CO 0.41 -1.29 1.21 -1.14 -0.33 0.00 0.00 177.00 175.86 3bg5 s GLN 363 N -3.26 2.89 0.23 5.54 2.00 -1.26 -4.68 119.66 121.11 3bg5 s GLN 363 Ca 0.78 1.81 -0.14 0.00 -2.00 0.00 0.00 55.36 55.80 3bg5 s GLN 363 Cb -0.34 -1.92 0.27 0.00 0.80 0.00 0.00 33.01 31.82 3bg5 s GLN 363 CO 0.37 -1.26 1.59 0.37 -0.50 0.00 0.00 175.29 175.85 3bg5 h GLN 364 N 0.75 -0.04 0.00 1.67 5.75 -1.94 0.31 115.11 121.61 3bg5 h GLN 364 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3bg5 h GLN 364 Cb 1.30 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.86 3bg5 h GLN 364 CO 0.55 -0.03 0.00 1.63 -2.65 0.00 0.00 178.83 178.33 3bg5 n LYS 365 N -5.49 0.73 0.04 1.69 5.02 -1.26 -1.56 118.16 117.32 3bg5 n LYS 365 Ca 0.09 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.51 3bg5 n LYS 365 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3bg5 n LYS 365 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bg5 n ASP 366 N -1.05 0.59 -4.69 4.39 8.00 0.11 -4.87 116.55 119.04 3bg5 n ASP 366 Ca 0.18 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 3bg5 n ASP 366 Cb 0.11 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 3bg5 n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bg5 s ILE 367 N -3.27 4.63 0.32 0.53 1.01 -0.60 -4.92 121.20 118.90 3bg5 s ILE 367 Ca 0.02 1.90 0.04 0.00 0.00 0.00 0.00 60.65 62.60 3bg5 s ILE 367 Cb 0.13 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3bg5 s ILE 367 CO 0.81 0.02 0.16 0.42 0.00 0.00 0.00 174.94 176.35 3bg5 s THR 368 N 1.94 0.36 -0.16 2.92 -4.23 -1.26 -5.00 115.64 110.20 3bg5 s THR 368 Ca 0.51 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3bg5 s THR 368 Cb -0.21 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 3bg5 s THR 368 CO 0.20 0.00 0.10 0.42 -0.54 0.00 0.00 174.62 174.81 3bg5 s THR 369 N -3.54 5.17 -0.35 3.99 -4.23 -1.26 -4.06 115.64 111.37 3bg5 s THR 369 Ca 0.35 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 3bg5 s THR 369 Cb 0.05 -3.30 0.07 0.00 1.34 0.00 0.00 72.50 70.66 3bg5 s THR 369 CO 0.18 0.52 0.09 -0.22 -0.54 0.00 0.00 174.62 174.65 3bg5 s LEU 370 N -0.25 4.48 0.00 4.79 2.96 0.11 -5.01 118.68 125.77 3bg5 s LEU 370 Ca 0.10 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.40 3bg5 s LEU 370 Cb -0.12 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3bg5 s LEU 370 CO 0.01 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3bg5 n GLY 371 N 4.60 -0.11 3.30 7.98 0.00 -1.26 -4.60 105.19 115.09 3bg5 n GLY 371 Ca -0.08 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 3bg5 n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bg5 s TYR 372 N 0.00 1.57 0.00 1.61 1.51 -0.05 -4.46 117.35 117.53 3bg5 s TYR 372 Ca 0.00 -0.57 -0.00 0.00 -1.01 0.00 0.00 57.07 55.48 3bg5 s TYR 372 Cb 0.00 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 41.07 3bg5 s TYR 372 CO 0.00 0.25 -0.00 0.00 -1.11 0.00 0.00 175.55 174.69 3bg5 s ALA 373 N -2.60 0.01 -0.04 3.71 0.00 0.22 -2.53 121.76 120.54 3bg5 s ALA 373 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.04 3bg5 s ALA 373 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3bg5 s ALA 373 CO 0.05 -0.04 -0.14 0.42 0.00 0.00 0.00 175.76 176.05 3bg5 s ILE 374 N -0.32 1.17 0.01 0.00 1.01 -0.61 -1.63 121.20 120.83 3bg5 s ILE 374 Ca -0.03 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.12 3bg5 s ILE 374 Cb -0.02 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3bg5 s ILE 374 CO -0.00 0.35 -0.22 -1.58 0.00 0.00 0.00 174.94 173.48 3bg5 s GLN 375 N 0.13 2.07 0.08 2.79 0.74 -0.56 -1.79 119.66 123.12 3bg5 s GLN 375 Ca -0.04 -0.96 -0.06 0.00 0.05 0.00 0.00 55.36 54.34 3bg5 s GLN 375 Cb -0.11 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.87 3bg5 s GLN 375 CO 0.02 0.55 0.12 0.00 -0.55 0.00 0.00 175.29 175.43 3bg5 s ARG 377 N -3.88 2.43 -0.19 0.00 0.52 -1.26 -1.22 118.95 115.35 3bg5 s ARG 377 Ca 0.06 -0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 54.21 3bg5 s ARG 377 Cb 0.06 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 3bg5 s ARG 377 CO -0.10 0.44 0.37 0.42 0.02 0.00 0.00 175.30 176.45 3bg5 s ILE 378 N -0.31 5.23 0.30 1.52 -1.09 0.52 -4.95 121.20 122.42 3bg5 s ILE 378 Ca 0.01 0.66 0.03 0.00 -2.23 0.00 0.00 60.65 59.11 3bg5 s ILE 378 Cb -0.13 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 3bg5 s ILE 378 CO 0.02 0.29 0.09 0.42 -1.23 0.00 0.00 174.94 174.52 3bg5 s THR 379 N 1.09 0.82 -0.23 2.92 -4.23 -1.26 0.45 115.64 115.21 3bg5 s THR 379 Ca 0.18 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 3bg5 s THR 379 Cb -0.14 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.26 3bg5 s THR 379 CO 0.07 0.00 1.28 0.35 -0.54 0.00 0.00 174.62 175.78 3bg5 n THR 380 N -0.59 1.68 -3.16 3.99 -2.24 -1.26 -3.28 114.28 109.41 3bg5 n THR 380 Ca -0.01 -0.66 -0.39 0.00 -2.27 0.00 0.00 64.05 60.72 3bg5 n THR 380 Cb 0.66 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 3bg5 n THR 380 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bg5 s GLU 381 N -1.23 4.39 -0.41 -0.78 2.02 -1.26 -0.09 118.70 121.34 3bg5 s GLU 381 Ca 0.20 0.69 -0.18 0.00 0.02 0.00 0.00 54.97 55.70 3bg5 s GLU 381 Cb 0.17 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.97 3bg5 s GLU 381 CO 0.04 0.10 0.51 0.34 0.02 0.00 0.00 175.26 176.28 3bg5 s ASP 382 N 0.73 6.26 0.58 -0.19 2.15 -1.17 -2.50 116.67 122.52 3bg5 s ASP 382 Ca 0.32 -0.43 0.27 0.00 0.43 0.00 0.00 52.55 53.14 3bg5 s ASP 382 Cb -0.17 -2.26 1.67 0.00 -0.30 0.00 0.00 42.92 41.86 3bg5 s ASP 382 CO 0.15 -0.61 2.19 -0.65 -0.17 0.00 0.00 175.17 176.07 3bg5 h PRO 383 N 8.72 0.00 0.00 4.34 0.11 -1.94 -1.92 132.00 141.31 3bg5 h PRO 383 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3bg5 h PRO 383 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3bg5 h PRO 383 CO 0.82 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 3bg5 n LEU 384 N -3.97 0.00 -2.96 2.35 4.32 -1.26 -4.06 117.00 111.41 3bg5 n LEU 384 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.84 3bg5 n LEU 384 Cb 0.17 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.00 3bg5 n LEU 384 CO 0.29 0.00 0.05 -3.20 -1.22 0.00 0.00 177.39 173.31 3bg5 n ASN 385 N -0.80 -0.82 -1.98 -1.43 5.15 -0.78 -4.99 115.26 109.62 3bg5 n ASN 385 Ca 0.13 -3.33 -0.09 0.00 -0.60 0.00 0.00 54.58 50.69 3bg5 n ASN 385 Cb 0.06 0.66 -0.02 0.00 -0.53 0.00 0.00 39.78 39.95 3bg5 n ASN 385 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3bg5 n ASP 386 N 0.42 -2.92 -3.49 1.20 9.92 -1.25 -2.20 116.55 118.24 3bg5 n ASP 386 Ca 0.15 0.25 -0.18 0.00 -0.53 0.00 0.00 54.79 54.48 3bg5 n ASP 386 Cb 0.67 -2.64 0.07 0.00 -0.64 0.00 0.00 41.12 38.58 3bg5 n ASP 386 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3bg5 n PHE 387 N -2.55 -2.14 -2.67 1.24 3.72 -0.88 -4.99 117.46 109.19 3bg5 n PHE 387 Ca -0.10 0.88 -0.41 0.00 -0.05 0.00 0.00 57.45 57.77 3bg5 n PHE 387 Cb 0.47 -4.71 -0.04 0.00 -0.94 0.00 0.00 39.48 34.26 3bg5 n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3bg5 s MET 388 N -5.42 4.66 -0.52 -1.08 -1.94 -0.93 -4.71 119.30 109.36 3bg5 s MET 388 Ca 0.08 1.52 -0.28 0.00 -1.71 0.00 0.00 55.69 55.30 3bg5 s MET 388 Cb -0.01 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.47 3bg5 s MET 388 CO 0.76 0.16 1.52 -2.14 -0.01 0.00 0.00 175.02 175.31 3bg5 s PRO 389 N 0.00 3.25 0.44 2.03 0.02 -1.26 -3.02 135.00 136.46 3bg5 s PRO 389 Ca 0.48 0.66 -0.24 0.00 0.02 0.00 0.00 61.00 61.92 3bg5 s PRO 389 Cb -0.25 -4.16 -0.08 0.00 0.02 0.00 0.00 34.50 30.04 3bg5 s PRO 389 CO 0.31 -1.99 1.17 0.34 -0.33 0.00 0.00 177.00 176.50 3bg5 s ASP 390 N 5.08 6.30 -0.08 2.53 -1.08 0.86 -4.98 116.67 125.31 3bg5 s ASP 390 Ca 0.59 2.33 0.05 0.00 -0.52 0.00 0.00 52.55 55.00 3bg5 s ASP 390 Cb -0.13 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 38.72 3bg5 s ASP 390 CO 0.26 -0.83 -0.23 -0.89 0.52 0.00 0.00 175.17 174.00 3bg5 s THR 391 N -1.49 2.17 0.00 1.71 2.01 -1.26 -4.85 115.64 113.92 3bg5 s THR 391 Ca 0.61 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.60 3bg5 s THR 391 Cb -0.30 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.40 3bg5 s THR 391 CO 0.37 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.47 3bg5 n GLY 392 N 3.22 -0.47 3.73 4.40 0.00 -1.25 -5.00 105.19 109.81 3bg5 n GLY 392 Ca -0.18 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3bg5 n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s THR 393 N -2.00 5.06 -0.23 2.61 2.01 -1.26 -1.68 115.64 120.15 3bg5 s THR 393 Ca 0.00 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 3bg5 s THR 393 Cb 0.00 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3bg5 s THR 393 CO 0.00 0.34 1.10 -0.63 -0.69 0.00 0.00 174.62 174.73 3bg5 s ILE 394 N 0.40 4.57 -0.04 1.82 1.01 -1.25 -4.33 121.20 123.37 3bg5 s ILE 394 Ca 0.31 1.88 0.18 0.00 0.00 0.00 0.00 60.65 63.02 3bg5 s ILE 394 Cb -0.17 -4.25 -0.27 0.00 0.01 0.00 0.00 42.46 37.78 3bg5 s ILE 394 CO 0.15 -0.21 0.36 2.30 0.00 0.00 0.00 174.94 177.54 3bg5 n ILE 395 N 5.41 0.11 -3.64 2.92 -5.35 -0.94 -4.31 119.36 113.56 3bg5 n ILE 395 Ca 0.12 -0.44 -0.19 0.00 -0.27 0.00 0.00 62.75 61.98 3bg5 n ILE 395 Cb 0.46 0.03 -0.16 0.00 -1.74 0.00 0.00 39.64 38.23 3bg5 n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bg5 s ALA 396 N -3.16 -0.03 -0.14 -1.28 0.00 -1.21 -4.62 121.76 111.32 3bg5 s ALA 396 Ca -0.07 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 3bg5 s ALA 396 Cb 0.11 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.39 3bg5 s ALA 396 CO 0.74 -0.71 -0.07 -0.47 0.00 0.00 0.00 175.76 175.25 3bg5 s TYR 397 N 2.26 1.67 -0.04 0.00 6.14 -1.26 -2.17 117.35 123.95 3bg5 s TYR 397 Ca 0.04 -0.97 -0.00 0.00 0.64 0.00 0.00 57.07 56.77 3bg5 s TYR 397 Cb -0.13 -1.31 0.03 0.00 0.42 0.00 0.00 41.96 40.97 3bg5 s TYR 397 CO -0.06 -0.58 0.01 1.03 0.64 0.00 0.00 175.55 176.59 3bg5 s ARG 398 N 1.65 0.28 0.00 4.97 0.52 -0.15 -4.73 118.95 121.49 3bg5 s ARG 398 Ca 0.03 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 3bg5 s ARG 398 Cb -0.14 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.75 3bg5 s ARG 398 CO -0.08 -0.21 0.00 -1.13 0.02 0.00 0.00 175.30 173.90 3bg5 n SER 399 N 4.60 0.55 0.00 0.23 3.41 -1.26 -0.60 113.62 120.55 3bg5 n SER 399 Ca -0.17 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3bg5 n SER 399 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3bg5 n SER 399 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3bg5 n SER 400 N -2.18 0.00 0.00 4.04 7.64 -1.26 -4.79 113.62 117.07 3bg5 n SER 400 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bg5 n SER 400 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3bg5 n SER 400 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bg5 n GLY 401 N 3.37 0.71 0.00 0.23 0.00 -1.26 -5.13 105.19 103.12 3bg5 n GLY 401 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3bg5 n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 402 N 1.02 4.45 3.68 -0.02 0.00 -1.26 -4.94 105.19 108.12 3bg5 n GLY 402 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3bg5 n GLY 402 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bg5 s PHE 403 N -2.04 1.93 -0.29 1.61 2.19 -1.26 -1.62 117.98 118.50 3bg5 s PHE 403 Ca 0.00 -0.13 0.00 0.00 0.33 0.00 0.00 56.93 57.13 3bg5 s PHE 403 Cb 0.00 -4.19 0.00 0.00 -1.31 0.00 0.00 43.02 37.52 3bg5 s PHE 403 CO 0.00 -5.02 0.00 0.41 1.83 0.00 0.00 175.22 172.44 3bg5 n GLY 404 N 4.31 0.47 3.24 13.12 0.00 -1.26 -4.92 105.19 120.15 3bg5 n GLY 404 Ca 0.18 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3bg5 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bg5 s VAL 405 N -2.13 1.86 -0.10 1.61 1.01 -0.64 -1.07 120.40 120.94 3bg5 s VAL 405 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3bg5 s VAL 405 Cb 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.83 3bg5 s VAL 405 CO 0.00 0.52 -0.11 -0.60 0.00 0.00 0.00 175.10 174.92 3bg5 s ARG 406 N -0.29 1.74 -0.45 2.72 6.06 0.82 -4.66 118.95 124.90 3bg5 s ARG 406 Ca 0.02 -0.37 0.02 0.00 -2.50 0.00 0.00 55.73 52.90 3bg5 s ARG 406 Cb -0.11 -1.62 0.12 0.00 0.06 0.00 0.00 34.95 33.40 3bg5 s ARG 406 CO 0.02 -0.15 0.19 -0.51 -2.50 0.00 0.00 175.30 172.34 3bg5 s LEU 407 N 1.29 4.74 -0.41 -0.88 1.43 -1.26 -1.12 118.68 122.46 3bg5 s LEU 407 Ca -0.02 -2.52 -0.23 0.00 -1.03 0.00 0.00 54.13 50.32 3bg5 s LEU 407 Cb -0.14 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3bg5 s LEU 407 CO -0.04 -0.35 0.80 -1.81 0.23 0.00 0.00 176.35 175.18 3bg5 s ASP 408 N 0.59 6.50 0.05 2.29 1.01 -0.26 -4.93 116.67 121.93 3bg5 s ASP 408 Ca 0.13 0.17 -0.08 0.00 0.71 0.00 0.00 52.55 53.48 3bg5 s ASP 408 Cb -0.22 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3bg5 s ASP 408 CO -0.04 -0.84 0.35 0.00 0.21 0.00 0.00 175.17 174.85 3bg5 s ALA 409 N 3.25 3.78 0.00 5.23 0.00 -1.26 0.18 121.76 132.93 3bg5 s ALA 409 Ca 0.32 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3bg5 s ALA 409 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3bg5 s ALA 409 CO 0.20 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.97 3bg5 n GLY 410 N 0.96 0.23 0.09 0.00 0.00 -0.85 -3.28 105.19 102.34 3bg5 n GLY 410 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 3bg5 n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bg5 n ASP 411 N -0.69 0.67 -4.54 1.61 8.00 0.20 -4.67 116.55 117.13 3bg5 n ASP 411 Ca 0.00 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.37 3bg5 n ASP 411 Cb 0.00 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3bg5 n ASP 411 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bg5 s GLY 412 N -4.75 0.95 0.25 0.44 0.00 -0.77 -4.95 107.32 98.48 3bg5 s GLY 412 Ca -0.04 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 3bg5 s GLY 412 CO 0.82 2.57 0.40 -0.11 0.00 0.00 0.00 173.10 176.78 3bg5 s PHE 413 N 5.51 0.61 0.34 1.90 -0.12 -1.26 -4.91 117.98 120.05 3bg5 s PHE 413 Ca 0.33 -0.92 0.11 0.00 -0.05 0.00 0.00 56.93 56.40 3bg5 s PHE 413 Cb -0.09 -0.00 0.91 0.00 -0.63 0.00 0.00 43.02 43.20 3bg5 s PHE 413 CO 0.14 -0.93 1.76 1.96 -0.05 0.00 0.00 175.22 178.11 3bg5 h GLN 414 N 2.33 0.57 0.00 1.99 1.08 -1.89 -3.43 115.11 115.76 3bg5 h GLN 414 Ca -0.29 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3bg5 h GLN 414 Cb 1.25 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 3bg5 h GLN 414 CO 0.40 0.37 0.00 0.41 -0.95 0.00 0.00 178.83 179.06 3bg5 n GLY 415 N -1.37 0.19 3.36 3.46 0.00 -1.26 -4.41 105.19 105.16 3bg5 n GLY 415 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3bg5 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 n ALA 416 N -3.00 -2.31 -1.87 4.61 0.00 -1.26 -3.97 120.51 112.71 3bg5 n ALA 416 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 3bg5 n ALA 416 Cb 0.00 -1.60 0.21 0.00 0.00 0.00 0.00 19.45 18.06 3bg5 n ALA 416 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3bg5 s GLU 417 N -1.32 0.19 -0.22 0.00 1.03 -1.26 -4.36 118.70 112.76 3bg5 s GLU 417 Ca 0.61 -0.50 -0.05 0.00 0.03 0.00 0.00 54.97 55.07 3bg5 s GLU 417 Cb -0.58 -1.80 -0.01 0.00 -0.80 0.00 0.00 34.13 30.94 3bg5 s GLU 417 CO 0.61 -2.70 -0.02 0.42 -1.33 0.00 0.00 175.26 172.24 3bg5 s ILE 418 N -3.88 3.60 0.26 1.83 1.01 -0.68 -4.96 121.20 118.38 3bg5 s ILE 418 Ca 0.76 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 3bg5 s ILE 418 Cb -0.03 -2.65 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 3bg5 s ILE 418 CO 0.54 0.41 1.14 -0.55 0.00 0.00 0.00 174.94 176.48 3bg5 s SER 419 N 1.45 7.19 0.00 3.58 0.15 -1.26 -3.91 113.70 120.90 3bg5 s SER 419 Ca 0.05 2.29 0.21 0.00 0.70 0.00 0.00 55.95 59.20 3bg5 s SER 419 Cb -0.14 -2.62 1.16 0.00 -1.71 0.00 0.00 66.02 62.70 3bg5 s SER 419 CO -0.01 -0.23 1.63 -0.81 1.20 0.00 0.00 173.24 175.02 3bg5 n PRO 420 N 1.50 0.52 -0.30 5.44 -0.04 -1.26 -4.13 135.00 136.72 3bg5 n PRO 420 Ca 0.00 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 3bg5 n PRO 420 Cb 0.45 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.66 3bg5 n PRO 420 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bg5 n TYR 421 N -1.10 0.80 -4.14 0.54 4.02 -1.26 -4.88 117.16 111.14 3bg5 n TYR 421 Ca 0.13 -0.39 -0.14 0.00 -0.01 0.00 0.00 57.90 57.49 3bg5 n TYR 421 Cb 0.10 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.30 3bg5 n TYR 421 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3bg5 s TYR 422 N -1.25 0.94 -0.19 -0.72 1.51 -1.26 -4.84 117.35 111.55 3bg5 s TYR 422 Ca 0.39 -0.59 -0.39 0.00 -1.01 0.00 0.00 57.07 55.47 3bg5 s TYR 422 Cb 0.20 -0.53 -0.16 0.00 -0.11 0.00 0.00 41.96 41.36 3bg5 s TYR 422 CO 0.26 -0.03 1.66 -0.25 -1.11 0.00 0.00 175.55 176.08 3bg5 n ASP 423 N 0.94 2.26 -4.67 2.29 8.00 -1.26 -4.84 116.55 119.27 3bg5 n ASP 423 Ca -0.19 1.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.97 3bg5 n ASP 423 Cb 0.56 -1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 3bg5 n ASP 423 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3bg5 s SER 424 N 2.86 6.84 -0.24 -2.24 0.15 -1.26 -4.98 113.70 114.82 3bg5 s SER 424 Ca 0.95 1.98 -0.03 0.00 0.70 0.00 0.00 55.95 59.55 3bg5 s SER 424 Cb -1.03 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 60.84 3bg5 s SER 424 CO 0.61 -0.80 0.20 -0.22 1.20 0.00 0.00 173.24 174.23 3bg5 s LEU 425 N 3.35 0.07 -0.07 3.45 2.96 -1.26 -4.59 118.68 122.58 3bg5 s LEU 425 Ca 0.63 -0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3bg5 s LEU 425 Cb -0.28 0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 3bg5 s LEU 425 CO 0.23 -0.37 0.14 -0.07 -1.32 0.00 0.00 176.35 174.95 3bg5 h LEU 426 N 8.34 -0.09 -7.64 -0.68 3.38 -0.33 0.60 115.31 118.89 3bg5 h LEU 426 Ca -0.16 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.60 3bg5 h LEU 426 Cb 1.10 0.02 -0.27 0.00 0.09 0.00 0.00 40.66 41.60 3bg5 h LEU 426 CO 0.34 0.31 -0.62 -0.69 0.09 0.00 0.00 178.44 177.87 3bg5 s VAL 427 N -1.83 -0.00 -0.24 1.22 1.01 -1.17 -1.84 120.40 117.56 3bg5 s VAL 427 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3bg5 s VAL 427 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 3bg5 s VAL 427 CO 0.05 0.00 0.41 -0.75 0.00 0.00 0.00 175.10 174.81 3bg5 s LYS 428 N 0.08 4.10 -0.08 2.72 2.20 0.13 -0.36 119.74 128.53 3bg5 s LYS 428 Ca -0.00 0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.81 3bg5 s LYS 428 Cb -0.01 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3bg5 s LYS 428 CO -0.00 -0.18 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.48 3bg5 s LEU 429 N 1.76 2.57 -0.03 5.43 2.96 -0.36 -1.10 118.68 129.91 3bg5 s LEU 429 Ca 0.18 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3bg5 s LEU 429 Cb -0.15 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.01 3bg5 s LEU 429 CO 0.09 0.25 0.09 -0.44 -1.32 0.00 0.00 176.35 175.02 3bg5 s SER 430 N -0.16 -0.07 0.09 3.68 0.01 -0.28 -1.77 113.70 115.20 3bg5 s SER 430 Ca -0.01 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.42 3bg5 s SER 430 Cb -0.14 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 3bg5 s SER 430 CO 0.03 -0.07 -0.11 0.42 0.41 0.00 0.00 173.24 173.93 3bg5 s THR 431 N -0.11 0.98 -0.17 1.44 -4.23 -0.74 -0.13 115.64 112.69 3bg5 s THR 431 Ca -0.02 -1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 58.85 3bg5 s THR 431 Cb -0.02 -1.28 0.07 0.00 1.34 0.00 0.00 72.50 72.61 3bg5 s THR 431 CO 0.00 -0.48 0.39 -2.28 -0.54 0.00 0.00 174.62 171.71 3bg5 s HIS 432 N -2.16 -0.62 0.30 3.99 5.04 -0.23 -1.58 115.29 120.03 3bg5 s HIS 432 Ca 0.04 1.29 -0.18 0.00 -1.54 0.00 0.00 55.06 54.66 3bg5 s HIS 432 Cb -0.05 0.24 0.02 0.00 0.04 0.00 0.00 32.58 32.84 3bg5 s HIS 432 CO 0.01 -0.37 0.70 0.00 -2.34 0.00 0.00 174.74 172.73 3bg5 s ALA 433 N 1.75 -0.95 0.53 1.58 0.00 -1.05 -4.68 121.76 118.94 3bg5 s ALA 433 Ca -0.07 -0.50 0.24 0.00 0.00 0.00 0.00 51.96 51.63 3bg5 s ALA 433 Cb -0.10 0.85 1.54 0.00 0.00 0.00 0.00 23.12 25.42 3bg5 s ALA 433 CO -0.12 -1.00 2.17 0.82 0.00 0.00 0.00 175.76 177.63 3bg5 h ILE 434 N 2.04 0.72 -3.13 0.00 5.03 -1.89 -0.11 117.51 120.17 3bg5 h ILE 434 Ca -0.23 -0.15 -0.54 0.00 -0.12 0.00 0.00 64.86 63.83 3bg5 h ILE 434 Cb 1.25 1.09 -0.17 0.00 -3.03 0.00 0.00 36.82 35.95 3bg5 h ILE 434 CO 0.28 0.04 -0.78 -0.94 -0.68 0.00 0.00 178.15 176.07 3bg5 s SER 435 N -6.49 2.85 0.23 1.72 1.04 -1.26 -4.17 113.70 107.62 3bg5 s SER 435 Ca -0.05 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.41 3bg5 s SER 435 Cb 0.15 -0.18 0.22 0.00 0.10 0.00 0.00 66.02 66.31 3bg5 s SER 435 CO 0.60 -0.02 1.91 0.15 0.98 0.00 0.00 173.24 176.85 3bg5 h PHE 436 N 3.06 1.12 -0.53 5.02 3.57 -1.91 -1.66 116.94 125.62 3bg5 h PHE 436 Ca -0.42 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.02 3bg5 h PHE 436 Cb 1.21 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3bg5 h PHE 436 CO 0.70 0.71 -0.03 1.57 -2.23 0.00 0.00 178.31 179.02 3bg5 h LYS 437 N 1.21 0.93 -0.13 1.11 2.10 -1.96 -0.35 116.57 119.49 3bg5 h LYS 437 Ca 0.33 -0.29 -0.15 0.00 -2.00 0.00 0.00 60.65 58.54 3bg5 h LYS 437 Cb -0.14 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.10 3bg5 h LYS 437 CO -0.07 0.94 -0.56 0.37 -2.00 0.00 0.00 179.45 178.13 3bg5 h GLN 438 N 0.85 0.39 0.00 0.07 4.15 -1.87 -1.53 115.11 117.17 3bg5 h GLN 438 Ca 0.15 -0.25 -0.16 0.00 0.77 0.00 0.00 58.65 59.17 3bg5 h GLN 438 Cb 0.55 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 3bg5 h GLN 438 CO 0.03 0.84 -0.76 0.00 -1.93 0.00 0.00 178.83 177.02 3bg5 h ALA 439 N 1.11 0.68 -0.18 3.38 0.00 -1.16 -2.54 119.26 120.54 3bg5 h ALA 439 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 3bg5 h ALA 439 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3bg5 h ALA 439 CO 0.09 0.94 -0.56 1.49 0.00 0.00 0.00 179.25 181.22 3bg5 h GLU 440 N 0.00 0.56 0.00 0.00 4.22 -0.83 -1.86 114.58 116.67 3bg5 h GLU 440 Ca -0.01 -0.36 0.00 0.00 0.08 0.00 0.00 59.36 59.07 3bg5 h GLU 440 Cb 1.40 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.69 3bg5 h GLU 440 CO 0.10 0.97 0.00 1.05 -2.18 0.00 0.00 179.01 178.95 3bg5 h GLU 441 N 0.43 0.00 0.07 1.92 4.11 -1.29 -1.71 114.58 118.11 3bg5 h GLU 441 Ca 0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.20 3bg5 h GLU 441 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3bg5 h GLU 441 CO 0.11 0.00 -1.10 -0.22 0.07 0.00 0.00 179.01 177.87 3bg5 h LYS 442 N 0.00 0.20 -0.09 1.06 3.64 -1.33 -3.19 116.57 116.86 3bg5 h LYS 442 Ca 0.00 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 3bg5 h LYS 442 Cb 0.78 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3bg5 h LYS 442 CO 0.00 1.11 -0.24 1.98 -2.27 0.00 0.00 179.45 180.03 3bg5 h MET 443 N 0.07 0.33 -0.42 1.90 4.05 -0.97 -2.84 114.93 117.04 3bg5 h MET 443 Ca -0.08 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.09 3bg5 h MET 443 Cb 1.81 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.62 3bg5 h MET 443 CO 0.17 0.84 0.18 -0.39 0.23 0.00 0.00 176.91 177.94 3bg5 h VAL 444 N -0.13 1.19 -0.23 -5.77 -1.51 -1.47 -1.32 116.25 107.00 3bg5 h VAL 444 Ca -0.00 -0.57 0.04 0.00 -1.23 0.00 0.00 66.70 64.93 3bg5 h VAL 444 Cb 0.85 0.78 -0.04 0.00 -2.13 0.00 0.00 31.29 30.75 3bg5 h VAL 444 CO 0.05 0.21 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.50 3bg5 h ARG 445 N 0.54 0.05 -0.05 5.19 9.65 -1.61 0.31 114.38 128.47 3bg5 h ARG 445 Ca 0.14 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.94 3bg5 h ARG 445 Cb 0.16 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 3bg5 h ARG 445 CO -0.01 0.03 -0.35 0.66 2.80 0.00 0.00 179.97 183.10 3bg5 h SER 446 N 0.05 0.09 0.21 -3.80 4.64 -1.44 0.20 113.55 113.50 3bg5 h SER 446 Ca 0.11 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 3bg5 h SER 446 Cb 0.15 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3bg5 h SER 446 CO -0.20 0.43 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.61 3bg5 h LEU 447 N 0.08 0.37 -0.39 5.97 3.38 -0.34 -2.65 115.31 121.73 3bg5 h LEU 447 Ca 0.01 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 3bg5 h LEU 447 Cb 0.65 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3bg5 h LEU 447 CO 0.05 0.82 -0.79 0.03 0.09 0.00 0.00 178.44 178.64 3bg5 h ARG 448 N 0.27 0.25 0.00 1.13 3.08 0.17 -3.03 114.38 116.26 3bg5 h ARG 448 Ca 0.01 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3bg5 h ARG 448 Cb 0.99 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 3bg5 h ARG 448 CO 0.08 0.92 -0.00 0.93 -1.07 0.00 0.00 179.97 180.83 3bg5 h GLU 449 N 0.16 0.00 -6.71 0.04 5.08 -0.93 -3.46 114.58 108.76 3bg5 h GLU 449 Ca -0.03 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.80 3bg5 h GLU 449 Cb 1.38 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.69 3bg5 h GLU 449 CO 0.12 0.00 0.90 -1.64 -1.00 0.00 0.00 179.01 177.40 3bg5 s MET 450 N -3.61 4.17 -0.17 2.33 -1.94 -1.00 -4.70 119.30 114.36 3bg5 s MET 450 Ca 0.02 2.50 -0.05 0.00 -1.71 0.00 0.00 55.69 56.45 3bg5 s MET 450 Cb 0.08 -3.08 0.06 0.00 2.01 0.00 0.00 34.83 33.91 3bg5 s MET 450 CO 0.56 -0.63 0.09 1.03 -0.01 0.00 0.00 175.02 176.06 3bg5 s ARG 451 N 0.33 0.10 -0.10 2.03 0.52 0.23 -5.03 118.95 117.04 3bg5 s ARG 451 Ca 0.67 -0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.76 3bg5 s ARG 451 Cb -0.47 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.20 3bg5 s ARG 451 CO 0.39 -0.68 -0.07 0.42 0.02 0.00 0.00 175.30 175.39 3bg5 s ILE 452 N 2.12 0.93 0.10 1.52 1.01 -1.26 -0.97 121.20 124.64 3bg5 s ILE 452 Ca 0.02 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.52 3bg5 s ILE 452 Cb -0.16 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3bg5 s ILE 452 CO -0.10 0.35 -0.22 -0.13 0.00 0.00 0.00 174.94 174.84 3bg5 s ARG 453 N 1.61 1.22 0.00 2.79 0.52 -0.92 -4.78 118.95 119.39 3bg5 s ARG 453 Ca 0.02 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 3bg5 s ARG 453 Cb -0.13 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.83 3bg5 s ARG 453 CO -0.06 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3bg5 n GLY 454 N 1.15 1.75 3.31 -3.53 0.00 -1.26 -2.21 105.19 104.40 3bg5 n GLY 454 Ca -0.19 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3bg5 n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bg5 s VAL 455 N -0.49 0.96 0.38 1.61 -7.23 -1.26 -4.46 120.40 109.91 3bg5 s VAL 455 Ca 0.00 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 57.99 3bg5 s VAL 455 Cb 0.00 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.54 3bg5 s VAL 455 CO 0.00 -0.34 0.81 -0.54 -0.31 0.00 0.00 175.10 174.73 3bg5 s LYS 456 N -3.88 3.99 0.10 4.82 1.02 -1.26 -5.01 119.74 119.53 3bg5 s LYS 456 Ca 0.28 0.75 0.02 0.00 0.02 0.00 0.00 55.97 57.04 3bg5 s LYS 456 Cb 0.06 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3bg5 s LYS 456 CO 0.08 0.03 -0.08 0.95 -0.92 0.00 0.00 175.35 175.41 3bg5 s THR 457 N -2.18 0.77 -2.01 2.17 -4.23 -1.26 -4.11 115.64 104.80 3bg5 s THR 457 Ca 0.56 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 3bg5 s THR 457 Cb -0.10 -1.52 0.12 0.00 1.34 0.00 0.00 72.50 72.34 3bg5 s THR 457 CO 0.21 -0.75 1.13 -0.46 -0.54 0.00 0.00 174.62 174.21 3bg5 n ASN 458 N 0.22 0.48 -0.14 3.99 6.94 -1.04 -4.43 115.26 121.28 3bg5 n ASN 458 Ca -0.14 -1.95 -0.05 0.00 -0.02 0.00 0.00 54.58 52.42 3bg5 n ASN 458 Cb 0.60 -0.06 0.03 0.00 -2.36 0.00 0.00 39.78 37.99 3bg5 n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3bg5 h ILE 459 N 0.53 0.93 -0.70 1.53 2.04 -1.89 -1.75 117.51 118.21 3bg5 h ILE 459 Ca 0.00 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.83 3bg5 h ILE 459 Cb 0.12 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 3bg5 h ILE 459 CO 0.00 0.07 0.32 -0.65 0.00 0.00 0.00 178.15 177.89 3bg5 h PRO 460 N 0.39 0.52 0.60 2.37 0.11 -1.96 -1.70 132.00 132.33 3bg5 h PRO 460 Ca 0.19 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3bg5 h PRO 460 Cb 0.13 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.13 3bg5 h PRO 460 CO -0.16 0.34 -0.29 0.35 -0.21 0.00 0.00 178.00 178.04 3bg5 h PHE 461 N 0.54 -0.75 -1.00 0.65 3.57 -1.69 -2.85 116.94 115.39 3bg5 h PHE 461 Ca 0.36 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.95 3bg5 h PHE 461 Cb 0.43 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.34 3bg5 h PHE 461 CO -0.13 -0.44 0.63 -0.07 -2.23 0.00 0.00 178.31 176.07 3bg5 h LEU 462 N -0.89 0.95 -0.53 0.59 3.38 -1.14 -0.70 115.31 116.96 3bg5 h LEU 462 Ca -0.08 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3bg5 h LEU 462 Cb 0.65 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3bg5 h LEU 462 CO 0.14 0.53 0.20 0.40 0.09 0.00 0.00 178.44 179.79 3bg5 h ILE 463 N 1.03 0.82 -0.66 1.22 2.04 -1.29 -1.14 117.51 119.54 3bg5 h ILE 463 Ca 0.48 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 3bg5 h ILE 463 Cb 0.41 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3bg5 h ILE 463 CO -0.24 0.07 0.37 0.78 0.00 0.00 0.00 178.15 179.13 3bg5 h ASN 464 N 0.38 0.81 -0.84 1.72 2.35 -0.92 -1.86 115.58 117.23 3bg5 h ASN 464 Ca 0.26 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3bg5 h ASN 464 Cb 0.28 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3bg5 h ASN 464 CO -0.26 0.66 0.45 0.58 -1.65 0.00 0.00 177.43 177.21 3bg5 h VAL 465 N 0.90 1.25 0.52 2.81 2.07 -0.77 -2.04 116.25 120.98 3bg5 h VAL 465 Ca 0.23 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3bg5 h VAL 465 Cb 0.02 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3bg5 h VAL 465 CO -0.04 0.28 -0.25 0.24 0.02 0.00 0.00 177.57 177.82 3bg5 h MET 466 N 1.17 -0.67 -0.66 1.57 2.86 -0.98 -3.22 114.93 115.00 3bg5 h MET 466 Ca 0.29 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 58.16 3bg5 h MET 466 Cb 0.05 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3bg5 h MET 466 CO -0.04 -0.37 0.46 0.87 1.06 0.00 0.00 176.91 178.89 3bg5 h LYS 467 N -1.03 0.08 -6.45 1.72 1.79 -1.32 -3.42 116.57 107.94 3bg5 h LYS 467 Ca -0.07 -0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.79 3bg5 h LYS 467 Cb 0.61 -0.02 0.06 0.00 -1.58 0.00 0.00 32.23 31.31 3bg5 h LYS 467 CO 0.12 0.05 0.67 -1.71 -1.08 0.00 0.00 179.45 177.50 3bg5 n ASN 468 N -4.38 2.62 0.24 0.86 2.85 -0.77 -4.90 115.26 111.79 3bg5 n ASN 468 Ca 0.13 1.10 0.11 0.00 -0.11 0.00 0.00 54.58 55.81 3bg5 n ASN 468 Cb 0.67 -1.36 0.55 0.00 1.24 0.00 0.00 39.78 40.88 3bg5 n ASN 468 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3bg5 h LYS 469 N 5.24 0.00 -0.19 1.20 1.57 -1.90 -2.27 116.57 120.22 3bg5 h LYS 469 Ca -0.45 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.18 3bg5 h LYS 469 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3bg5 h LYS 469 CO 0.83 0.18 -0.50 0.87 -0.57 0.00 0.00 179.45 180.26 3bg5 h LYS 470 N 0.00 0.52 0.45 3.15 1.57 -1.95 -0.17 116.57 120.14 3bg5 h LYS 470 Ca -0.00 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 3bg5 h LYS 470 Cb 0.63 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3bg5 h LYS 470 CO 0.02 0.90 -0.21 0.35 -0.57 0.00 0.00 179.45 179.94 3bg5 h PHE 471 N 0.41 -0.56 -0.80 -1.35 3.04 -1.77 -2.98 116.94 112.93 3bg5 h PHE 471 Ca 0.02 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.16 3bg5 h PHE 471 Cb 1.03 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 3bg5 h PHE 471 CO 0.04 -0.24 0.55 1.15 -2.02 0.00 0.00 178.31 177.80 3bg5 h THR 472 N -0.88 0.66 -0.40 4.41 2.02 -1.40 -0.44 112.91 116.89 3bg5 h THR 472 Ca -0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3bg5 h THR 472 Cb 0.57 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3bg5 h THR 472 CO 0.10 0.03 0.21 0.77 0.37 0.00 0.00 175.52 177.00 3bg5 h SER 473 N 0.17 0.51 0.00 4.18 4.64 -0.95 -3.48 113.55 118.62 3bg5 h SER 473 Ca 0.39 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3bg5 h SER 473 Cb 1.29 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3bg5 h SER 473 CO -0.07 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 3bg5 n GLY 474 N -0.94 3.30 0.39 -0.77 0.00 -0.17 -4.85 105.19 102.14 3bg5 n GLY 474 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3bg5 n GLY 474 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3bg5 h ASP 475 N 0.00 0.47 -0.88 1.61 3.58 -1.75 -3.42 116.42 116.04 3bg5 h ASP 475 Ca 0.00 0.04 -0.42 0.00 0.42 0.00 0.00 57.03 57.07 3bg5 h ASP 475 Cb 0.00 -0.05 0.09 0.00 1.72 0.00 0.00 39.33 41.08 3bg5 h ASP 475 CO 0.00 0.22 -0.49 0.00 -2.88 0.00 0.00 179.24 176.09 3bg5 n TYR 476 N -4.52 -0.87 -3.62 0.28 4.11 -1.26 -5.04 117.16 106.23 3bg5 n TYR 476 Ca 0.18 0.51 0.00 0.00 -0.00 0.00 0.00 57.90 58.58 3bg5 n TYR 476 Cb 0.59 -1.20 0.00 0.00 -0.00 0.00 0.00 39.34 38.73 3bg5 n TYR 476 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3bg5 n THR 477 N -0.35 0.00 0.05 -3.48 -2.24 -1.26 -4.92 114.28 102.08 3bg5 n THR 477 Ca 0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 3bg5 n THR 477 Cb 0.21 -0.09 0.23 0.00 -2.10 0.00 0.00 70.33 68.58 3bg5 n THR 477 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3bg5 h THR 478 N 0.65 1.27 0.00 4.28 1.35 -1.49 -2.63 112.91 116.35 3bg5 h THR 478 Ca 0.00 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 3bg5 h THR 478 Cb 0.00 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3bg5 h THR 478 CO 0.00 0.41 0.00 0.29 -0.25 0.00 0.00 175.52 175.97 3bg5 n LYS 479 N -4.10 0.17 -0.28 4.72 4.76 -1.26 -4.16 118.16 118.01 3bg5 n LYS 479 Ca -0.01 0.17 0.10 0.00 -2.87 0.00 0.00 58.31 55.70 3bg5 n LYS 479 Cb 0.42 -1.50 0.24 0.00 -1.84 0.00 0.00 35.03 32.35 3bg5 n LYS 479 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3bg5 h PHE 480 N 0.00 0.22 -0.01 2.13 3.57 -1.77 -1.57 116.94 119.51 3bg5 h PHE 480 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3bg5 h PHE 480 Cb 0.14 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3bg5 h PHE 480 CO 0.00 -0.20 -0.01 0.82 -2.23 0.00 0.00 178.31 176.69 3bg5 h ILE 481 N 0.19 1.42 -1.00 1.41 2.04 -1.79 -2.78 117.51 117.00 3bg5 h ILE 481 Ca 0.49 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 65.13 3bg5 h ILE 481 Cb 0.94 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 39.22 3bg5 h ILE 481 CO -0.64 0.33 0.65 -0.33 0.00 0.00 0.00 178.15 178.16 3bg5 h GLU 482 N -0.51 1.23 -0.23 2.37 5.08 -1.74 -2.62 114.58 118.16 3bg5 h GLU 482 Ca 0.00 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 3bg5 h GLU 482 Cb 0.54 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3bg5 h GLU 482 CO 0.00 0.81 -0.39 0.93 -1.00 0.00 0.00 179.01 179.36 3bg5 h GLU 483 N 1.27 0.53 -4.53 2.33 5.08 -1.37 -3.41 114.58 114.47 3bg5 h GLU 483 Ca 0.40 -0.26 -0.72 0.00 -1.00 0.00 0.00 59.36 57.78 3bg5 h GLU 483 Cb -0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 3bg5 h GLU 483 CO -0.12 0.83 -0.14 0.99 -1.00 0.00 0.00 179.01 179.57 3bg5 s THR 484 N -4.25 5.07 -1.71 1.13 2.01 -0.99 -4.92 115.64 111.98 3bg5 s THR 484 Ca -0.07 -0.93 0.26 0.00 0.31 0.00 0.00 61.69 61.27 3bg5 s THR 484 Cb 0.13 -4.25 0.27 0.00 0.01 0.00 0.00 72.50 68.65 3bg5 s THR 484 CO 0.82 -0.75 1.58 -0.81 -0.69 0.00 0.00 174.62 174.76 3bg5 n PRO 485 N 5.65 0.79 0.00 4.92 -0.05 -1.26 -3.90 135.00 141.15 3bg5 n PRO 485 Ca -0.10 -0.45 0.12 0.00 -0.05 0.00 0.00 63.50 63.01 3bg5 n PRO 485 Cb 0.44 -1.49 0.52 0.00 -0.05 0.00 0.00 33.50 32.92 3bg5 n PRO 485 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3bg5 n GLU 486 N -0.71 0.02 0.07 0.54 1.02 -1.26 -3.62 120.64 116.70 3bg5 n GLU 486 Ca 0.12 0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.31 3bg5 n GLU 486 Cb 0.34 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.46 3bg5 n GLU 486 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3bg5 h LEU 487 N 0.00 0.32 -0.26 -4.62 4.07 -1.94 -2.85 115.31 110.02 3bg5 h LEU 487 Ca 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3bg5 h LEU 487 Cb 0.41 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3bg5 h LEU 487 CO 0.00 0.70 -0.19 0.49 -1.08 0.00 0.00 178.44 178.36 3bg5 n PHE 488 N -4.03 0.00 -2.23 1.13 3.72 -1.24 -4.58 117.46 110.24 3bg5 n PHE 488 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 3bg5 n PHE 488 Cb 0.48 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 3bg5 n PHE 488 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3bg5 s ASP 489 N -2.58 5.59 0.19 4.37 3.68 -1.08 -4.95 116.67 121.90 3bg5 s ASP 489 Ca 0.24 -1.89 -0.16 0.00 2.13 0.00 0.00 52.55 52.87 3bg5 s ASP 489 Cb 0.19 -2.59 -0.08 0.00 -1.45 0.00 0.00 42.92 39.00 3bg5 s ASP 489 CO 0.52 -2.48 0.63 0.27 0.13 0.00 0.00 175.17 174.23 3bg5 s ILE 490 N 8.89 4.74 -0.42 4.11 -5.25 -1.26 -5.07 121.20 126.94 3bg5 s ILE 490 Ca 0.64 0.98 0.04 0.00 -0.99 0.00 0.00 60.65 61.31 3bg5 s ILE 490 Cb 0.01 -3.76 0.11 0.00 2.95 0.00 0.00 42.46 41.77 3bg5 s ILE 490 CO 0.11 0.17 0.15 -1.10 -1.79 0.00 0.00 174.94 172.49 3bg5 s GLN 491 N -2.10 1.73 -0.76 0.37 1.11 -1.26 -5.06 119.66 113.69 3bg5 s GLN 491 Ca 0.42 -2.20 -0.26 0.00 0.01 0.00 0.00 55.36 53.33 3bg5 s GLN 491 Cb -0.15 -3.28 -0.08 0.00 -1.01 0.00 0.00 33.01 28.49 3bg5 s GLN 491 CO 0.20 -1.02 2.17 -1.25 0.01 0.00 0.00 175.29 175.40 3bg5 s PRO 492 N 0.39 2.15 0.22 2.91 0.04 -1.26 -4.94 135.00 134.51 3bg5 s PRO 492 Ca 0.14 0.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 3bg5 s PRO 492 Cb -0.22 -4.79 -0.08 0.00 0.04 0.00 0.00 34.50 29.44 3bg5 s PRO 492 CO -0.04 -3.66 0.97 -1.54 0.04 0.00 0.00 177.00 172.76 3bg5 s SER 493 N 9.71 7.57 1.02 6.66 1.04 -1.26 -5.04 113.70 133.39 3bg5 s SER 493 Ca 0.82 1.96 -0.12 0.00 0.48 0.00 0.00 55.95 59.09 3bg5 s SER 493 Cb -0.11 -2.61 0.20 0.00 0.10 0.00 0.00 66.02 63.60 3bg5 s SER 493 CO 0.10 0.07 1.08 -0.76 0.98 0.00 0.00 173.24 174.70 3bg5 s LEU 494 N -0.96 1.73 -0.32 2.42 1.02 -1.26 -5.04 118.68 116.28 3bg5 s LEU 494 Ca 0.43 1.64 0.03 0.00 0.02 0.00 0.00 54.13 56.24 3bg5 s LEU 494 Cb -0.26 -3.81 0.10 0.00 0.02 0.00 0.00 46.19 42.23 3bg5 s LEU 494 CO 0.33 -3.45 0.04 -0.62 0.02 0.00 0.00 176.35 172.67 3bg5 s ASP 495 N -2.87 4.53 0.14 2.29 -1.08 -1.26 -5.02 116.67 113.40 3bg5 s ASP 495 Ca 0.66 -1.94 -0.29 0.00 -0.52 0.00 0.00 52.55 50.46 3bg5 s ASP 495 Cb -0.22 -1.43 -0.05 0.00 -1.46 0.00 0.00 42.92 39.76 3bg5 s ASP 495 CO 0.60 -0.37 1.57 0.03 0.52 0.00 0.00 175.17 177.53 3bg5 h ARG 496 N 7.75 -0.41 -0.60 4.34 3.08 -1.99 -2.92 114.38 123.62 3bg5 h ARG 496 Ca -0.08 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.12 3bg5 h ARG 496 Cb 1.02 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 31.06 3bg5 h ARG 496 CO 0.50 -0.28 -0.01 0.78 -1.07 0.00 0.00 179.97 179.90 3bg5 h GLY 497 N -0.43 0.63 1.06 0.04 0.00 -1.98 -2.16 103.07 100.23 3bg5 h GLY 497 Ca 0.09 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 3bg5 h GLY 497 CO -0.50 -0.20 -0.03 -0.84 0.00 0.00 0.00 176.54 174.98 3bg5 h THR 498 N 0.11 1.27 -0.03 4.70 2.02 -1.95 -0.92 112.91 118.10 3bg5 h THR 498 Ca 0.31 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.27 3bg5 h THR 498 Cb 0.50 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3bg5 h THR 498 CO -0.52 0.41 -0.29 0.11 0.37 0.00 0.00 175.52 175.60 3bg5 h LYS 499 N 0.88 0.06 -0.22 6.66 1.57 -1.32 0.61 116.57 124.81 3bg5 h LYS 499 Ca 0.15 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 3bg5 h LYS 499 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3bg5 h LYS 499 CO 0.03 0.35 -0.56 1.15 -0.57 0.00 0.00 179.45 179.85 3bg5 h THR 500 N 0.05 1.29 -0.07 -0.16 2.02 -0.96 -1.69 112.91 113.39 3bg5 h THR 500 Ca 0.01 -1.76 -0.04 0.00 0.77 0.00 0.00 66.41 65.38 3bg5 h THR 500 Cb 0.55 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3bg5 h THR 500 CO 0.04 0.56 -0.16 -0.07 0.37 0.00 0.00 175.52 176.26 3bg5 h LEU 501 N 0.50 0.11 -0.17 2.58 3.38 -0.68 -2.15 115.31 118.89 3bg5 h LEU 501 Ca -0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3bg5 h LEU 501 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3bg5 h LEU 501 CO 0.12 0.28 -0.49 -0.33 0.09 0.00 0.00 178.44 178.11 3bg5 h GLU 502 N 0.11 0.63 0.80 1.13 5.08 -0.74 -0.78 114.58 120.81 3bg5 h GLU 502 Ca 0.02 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 3bg5 h GLU 502 Cb 0.36 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3bg5 h GLU 502 CO 0.02 1.07 -0.38 -0.92 -1.00 0.00 0.00 179.01 177.80 3bg5 h TYR 503 N 0.30 -1.00 -0.48 4.33 5.03 -1.15 0.01 116.97 124.01 3bg5 h TYR 503 Ca -0.01 -0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.37 3bg5 h TYR 503 Cb 1.11 0.33 -0.09 0.00 1.55 0.00 0.00 36.73 39.63 3bg5 h TYR 503 CO 0.10 -0.62 -0.07 0.82 -1.32 0.00 0.00 178.16 177.07 3bg5 h ILE 504 N -1.09 0.56 -0.37 1.81 2.04 -1.48 -0.15 117.51 118.83 3bg5 h ILE 504 Ca -0.11 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3bg5 h ILE 504 Cb 0.83 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3bg5 h ILE 504 CO 0.18 0.01 -0.16 1.23 0.00 0.00 0.00 178.15 179.41 3bg5 h GLY 505 N 0.05 0.13 0.84 5.37 0.00 -1.02 -0.03 103.07 108.41 3bg5 h GLY 505 Ca 0.24 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 3bg5 h GLY 505 CO -0.46 -0.18 -0.16 -0.57 0.00 0.00 0.00 176.54 175.17 3bg5 h ASN 506 N -0.09 -0.39 -0.43 0.19 -0.00 0.28 -2.51 115.58 112.62 3bg5 h ASN 506 Ca 0.18 -0.09 0.03 0.00 -0.00 0.00 0.00 56.30 56.42 3bg5 h ASN 506 Cb 0.37 0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 38.76 3bg5 h ASN 506 CO -0.43 -0.14 0.23 0.58 -0.00 0.00 0.00 177.43 177.67 3bg5 h VAL 507 N -0.63 1.00 -0.65 2.57 2.07 -0.98 0.92 116.25 120.55 3bg5 h VAL 507 Ca -0.05 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.45 3bg5 h VAL 507 Cb 0.46 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.62 3bg5 h VAL 507 CO 0.08 0.08 0.07 0.74 0.02 0.00 0.00 177.57 178.56 3bg5 h THR 508 N 0.46 0.51 0.20 2.57 2.02 -0.94 0.23 112.91 117.96 3bg5 h THR 508 Ca 0.18 -0.06 -0.35 0.00 0.77 0.00 0.00 66.41 66.95 3bg5 h THR 508 Cb 0.06 0.32 0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3bg5 h THR 508 CO -0.11 0.03 -1.70 0.40 0.37 0.00 0.00 175.52 174.51 3bg5 h ILE 509 N 0.18 1.00 -0.10 3.11 2.04 -1.01 -3.39 117.51 119.33 3bg5 h ILE 509 Ca 0.35 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.66 3bg5 h ILE 509 Cb 0.57 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3bg5 h ILE 509 CO -0.51 0.85 0.00 0.59 0.00 0.00 0.00 178.15 179.08 3bg5 n ASN 510 N -3.62 2.03 -0.13 1.72 3.02 0.28 -4.92 115.26 113.63 3bg5 n ASN 510 Ca -0.23 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3bg5 n ASN 510 Cb 1.08 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 3bg5 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 511 N 0.34 -1.42 2.90 7.41 0.00 0.79 -4.94 105.19 110.28 3bg5 n GLY 511 Ca 0.06 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 3bg5 n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bg5 s PHE 512 N 0.00 0.41 -0.05 1.61 5.36 -1.26 -4.44 117.98 119.62 3bg5 s PHE 512 Ca 0.00 -0.07 -0.36 0.00 -0.96 0.00 0.00 56.93 55.54 3bg5 s PHE 512 Cb 0.00 -0.35 -0.14 0.00 -0.34 0.00 0.00 43.02 42.19 3bg5 s PHE 512 CO 0.00 -0.07 1.67 -0.35 -1.46 0.00 0.00 175.22 175.02 3bg5 n PRO 513 N 3.45 1.71 -1.65 10.12 -0.04 -1.26 -1.36 135.00 145.98 3bg5 n PRO 513 Ca -0.19 0.62 -0.15 0.00 -0.04 0.00 0.00 63.50 63.74 3bg5 n PRO 513 Cb 0.55 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 3bg5 n PRO 513 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3bg5 n ASN 515 N 4.80 -4.82 -4.12 3.54 3.02 -1.26 -5.01 115.26 111.42 3bg5 n ASN 515 Ca 0.21 0.29 -0.33 0.00 -0.03 0.00 0.00 54.58 54.73 3bg5 n ASN 515 Cb 0.23 -3.74 -0.16 0.00 -0.61 0.00 0.00 39.78 35.50 3bg5 n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bg5 s VAL 516 N -2.62 2.19 -0.33 2.41 1.01 -0.46 -4.86 120.40 117.73 3bg5 s VAL 516 Ca 0.00 -1.15 -0.35 0.00 0.00 0.00 0.00 61.98 60.48 3bg5 s VAL 516 Cb 0.00 -2.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 3bg5 s VAL 516 CO 0.00 0.34 2.17 1.21 0.00 0.00 0.00 175.10 178.81 3bg5 n GLU 517 N 4.57 1.16 -1.57 2.72 2.13 -1.26 -4.49 120.64 123.90 3bg5 n GLU 517 Ca -0.18 0.32 -0.45 0.00 0.66 0.00 0.00 57.16 57.51 3bg5 n GLU 517 Cb 0.47 -2.49 -0.04 0.00 0.27 0.00 0.00 31.44 29.65 3bg5 n GLU 517 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3bg5 n LYS 518 N 8.09 1.81 -3.60 5.31 0.00 -1.26 -4.90 118.16 123.60 3bg5 n LYS 518 Ca 0.40 0.50 -0.11 0.00 0.00 0.00 0.00 58.31 59.09 3bg5 n LYS 518 Cb 0.24 -3.07 -0.05 0.00 0.00 0.00 0.00 35.03 32.15 3bg5 n LYS 518 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3bg5 s ARG 519 N 6.26 1.07 0.21 1.64 1.70 -1.26 -5.13 118.95 123.44 3bg5 s ARG 519 Ca 1.02 -0.55 -0.32 0.00 -0.47 0.00 0.00 55.73 55.41 3bg5 s ARG 519 Cb -0.45 0.48 -0.14 0.00 -0.57 0.00 0.00 34.95 34.27 3bg5 s ARG 519 CO 0.38 -0.42 1.40 -0.35 -1.08 0.00 0.00 175.30 175.24 3bg5 n PRO 520 N -0.05 1.91 -1.72 3.89 -0.04 -1.26 -4.80 135.00 132.94 3bg5 n PRO 520 Ca -0.17 0.68 -0.60 0.00 -0.04 0.00 0.00 63.50 63.37 3bg5 n PRO 520 Cb 0.63 -2.34 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 3bg5 n PRO 520 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3bg5 n LYS 521 N 2.23 0.87 -1.55 0.54 4.81 -1.26 -4.84 118.16 118.96 3bg5 n LYS 521 Ca 0.13 0.32 -0.33 0.00 -0.87 0.00 0.00 58.31 57.56 3bg5 n LYS 521 Cb 0.30 -1.96 0.07 0.00 0.02 0.00 0.00 35.03 33.46 3bg5 n LYS 521 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3bg5 s PRO 522 N 3.50 2.45 -0.51 1.64 0.02 -1.26 -4.98 135.00 135.85 3bg5 s PRO 522 Ca 1.00 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 63.32 3bg5 s PRO 522 Cb -1.18 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 31.52 3bg5 s PRO 522 CO 0.70 -1.54 0.56 0.34 -0.33 0.00 0.00 177.00 176.73 3bg5 s ASP 523 N -2.52 6.19 0.51 2.53 2.15 -1.26 -5.06 116.67 119.20 3bg5 s ASP 523 Ca 0.68 -1.17 -0.01 0.00 0.43 0.00 0.00 52.55 52.48 3bg5 s ASP 523 Cb -0.23 -2.26 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 3bg5 s ASP 523 CO 0.45 -0.85 0.75 -0.31 -0.17 0.00 0.00 175.17 175.04 3bg5 s TYR 524 N 2.28 3.18 0.54 -5.34 1.51 -1.26 -5.08 117.35 113.17 3bg5 s TYR 524 Ca 0.10 0.32 -0.19 0.00 -1.01 0.00 0.00 57.07 56.29 3bg5 s TYR 524 Cb -0.22 -2.50 -0.06 0.00 -0.11 0.00 0.00 41.96 39.06 3bg5 s TYR 524 CO 0.09 -0.57 1.11 -1.21 -1.11 0.00 0.00 175.55 173.86 3bg5 s GLU 525 N -4.71 3.43 0.12 -0.62 2.02 -1.26 -4.98 118.70 112.70 3bg5 s GLU 525 Ca 0.51 1.55 -0.33 0.00 0.02 0.00 0.00 54.97 56.72 3bg5 s GLU 525 Cb -0.10 -2.02 -0.11 0.00 0.10 0.00 0.00 34.13 32.00 3bg5 s GLU 525 CO 0.40 -0.77 1.56 -0.07 0.02 0.00 0.00 175.26 176.40 3bg5 h LEU 526 N 1.22 -1.66 -2.87 1.80 -0.00 -2.01 -3.48 115.31 108.32 3bg5 h LEU 526 Ca -0.50 0.20 -0.18 0.00 -0.00 0.00 0.00 57.88 57.41 3bg5 h LEU 526 Cb 1.25 0.66 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 3bg5 h LEU 526 CO 0.57 -0.47 -0.50 0.00 -0.00 0.00 0.00 178.44 178.05 3bg5 n ALA 527 N -3.00 -2.65 -2.17 1.53 0.00 -1.26 -4.92 120.51 108.04 3bg5 n ALA 527 Ca -0.05 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 3bg5 n ALA 527 Cb 0.37 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 3bg5 n ALA 527 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bg5 s SER 528 N -2.81 6.81 -0.26 0.00 1.04 -1.26 -4.95 113.70 112.26 3bg5 s SER 528 Ca 0.07 2.18 -0.16 0.00 0.48 0.00 0.00 55.95 58.52 3bg5 s SER 528 Cb -0.01 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 3bg5 s SER 528 CO 0.81 -0.75 0.43 -0.63 0.98 0.00 0.00 173.24 174.08 3bg5 s ILE 529 N 2.44 5.14 0.24 -1.02 1.01 -1.26 -5.03 121.20 122.71 3bg5 s ILE 529 Ca 0.66 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.70 3bg5 s ILE 529 Cb -0.33 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 3bg5 s ILE 529 CO 0.27 0.14 1.28 -2.84 0.00 0.00 0.00 174.94 173.79 3bg5 s PRO 530 N 2.12 4.42 0.19 2.79 0.02 -1.26 -5.05 135.00 138.23 3bg5 s PRO 530 Ca 0.17 2.05 0.08 0.00 0.02 0.00 0.00 61.00 63.32 3bg5 s PRO 530 Cb -0.16 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 3bg5 s PRO 530 CO 0.10 -0.18 -0.15 0.95 -0.33 0.00 0.00 177.00 177.39 3bg5 s THR 531 N -0.31 1.71 0.02 0.99 -4.23 -1.26 -4.34 115.64 108.22 3bg5 s THR 531 Ca 0.53 -2.13 0.08 0.00 -1.18 0.00 0.00 61.69 59.00 3bg5 s THR 531 Cb -0.36 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 3bg5 s THR 531 CO 0.42 -0.54 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.02 3bg5 s VAL 532 N -2.78 1.97 0.32 2.29 1.01 -1.26 -4.84 120.40 117.10 3bg5 s VAL 532 Ca 0.20 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 3bg5 s VAL 532 Cb -0.02 -1.66 -0.11 0.00 0.00 0.00 0.00 36.38 34.58 3bg5 s VAL 532 CO 0.06 0.41 1.58 -1.54 0.00 0.00 0.00 175.10 175.62 3bg5 n SER 533 N 2.08 3.92 0.18 3.32 3.41 -1.26 -4.83 113.62 120.44 3bg5 n SER 533 Ca -0.16 1.17 0.05 0.00 -0.26 0.00 0.00 58.87 59.66 3bg5 n SER 533 Cb 0.52 -1.61 0.49 0.00 -0.26 0.00 0.00 64.21 63.35 3bg5 n SER 533 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3bg5 h SER 534 N 4.40 0.12 0.07 4.04 4.64 -1.99 -1.75 113.55 123.07 3bg5 h SER 534 Ca -0.48 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 3bg5 h SER 534 Cb 1.23 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3bg5 h SER 534 CO 0.76 0.22 -0.40 0.77 -0.87 0.00 0.00 176.83 177.31 3bg5 h SER 535 N 0.12 0.45 -0.42 4.97 4.64 -1.99 -1.42 113.55 119.90 3bg5 h SER 535 Ca 0.03 -0.19 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 3bg5 h SER 535 Cb 0.22 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3bg5 h SER 535 CO 0.01 0.80 -0.23 0.50 -0.87 0.00 0.00 176.83 177.04 3bg5 h LYS 536 N 0.36 0.93 -0.42 4.77 3.64 -1.71 -3.02 116.57 121.11 3bg5 h LYS 536 Ca 0.03 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3bg5 h LYS 536 Cb 0.86 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3bg5 h LYS 536 CO 0.07 1.06 -0.01 0.82 -2.27 0.00 0.00 179.45 179.12 3bg5 h ILE 537 N 0.80 1.23 0.00 2.00 2.04 -1.21 -2.52 117.51 119.84 3bg5 h ILE 537 Ca 0.10 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3bg5 h ILE 537 Cb 0.80 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3bg5 h ILE 537 CO 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.53 3bg5 h ALA 538 N 1.35 1.62 0.00 1.87 0.00 -1.13 -1.59 119.26 121.38 3bg5 h ALA 538 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bg5 h ALA 538 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3bg5 h ALA 538 CO 0.02 0.01 -0.07 -1.13 0.00 0.00 0.00 179.25 178.08 3bg5 n SER 538 N -4.00 0.52 -4.75 0.00 3.41 -0.95 -4.87 113.62 102.98 3bg5 n SER 538 Ca -0.03 0.48 -0.41 0.00 -0.26 0.00 0.00 58.87 58.65 3bg5 n SER 538 Cb 0.10 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 3bg5 n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3bg5 s PHE 538 N -3.07 3.52 -0.30 7.33 2.99 -0.60 -5.02 117.98 122.83 3bg5 s PHE 538 Ca 0.11 1.57 0.03 0.00 0.00 0.00 0.00 56.93 58.64 3bg5 s PHE 538 Cb 0.15 -3.34 0.08 0.00 0.00 0.00 0.00 43.02 39.91 3bg5 s PHE 538 CO 0.59 -0.83 -0.02 0.45 -0.00 0.00 0.00 175.22 175.41 3bg5 s SER 539 N -0.28 4.64 0.00 1.36 0.15 -1.26 -4.81 113.70 113.50 3bg5 s SER 539 Ca 0.49 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 55.37 3bg5 s SER 539 Cb -0.32 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3bg5 s SER 539 CO 0.38 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3bg5 n GLY 540 N 4.36 4.93 0.25 9.45 0.00 -1.20 -4.96 105.19 118.01 3bg5 n GLY 540 Ca -0.05 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.27 3bg5 n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bg5 h THR 541 N 0.00 0.00 0.17 2.61 1.35 -1.71 -2.25 112.91 113.08 3bg5 h THR 541 Ca 0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 3bg5 h THR 541 Cb 0.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3bg5 h THR 541 CO 0.00 0.00 -0.08 0.50 -0.25 0.00 0.00 175.52 175.69 3bg5 h LYS 542 N 0.00 -0.22 -0.87 4.72 3.11 -1.41 -2.07 116.57 119.83 3bg5 h LYS 542 Ca 0.00 0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.93 3bg5 h LYS 542 Cb 0.46 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.67 3bg5 h LYS 542 CO 0.00 0.08 0.53 1.96 -2.81 0.00 0.00 179.45 179.20 3bg5 h GLN 543 N -0.52 0.90 -0.78 1.90 7.50 -1.66 -2.29 115.11 120.16 3bg5 h GLN 543 Ca -0.02 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 3bg5 h GLN 543 Cb 0.40 -0.20 -0.04 0.00 0.05 0.00 0.00 27.48 27.68 3bg5 h GLN 543 CO 0.04 0.60 0.49 1.25 -1.50 0.00 0.00 178.83 179.70 3bg5 h LEU 544 N 0.93 0.93 -0.76 1.46 5.85 -1.34 0.05 115.31 122.43 3bg5 h LEU 544 Ca 0.40 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 3bg5 h LEU 544 Cb 0.26 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3bg5 h LEU 544 CO -0.21 0.71 0.45 0.25 -0.34 0.00 0.00 178.44 179.30 3bg5 h LEU 545 N 1.07 0.93 -1.02 2.25 5.85 -0.89 0.28 115.31 123.77 3bg5 h LEU 545 Ca 0.28 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3bg5 h LEU 545 Cb -0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3bg5 h LEU 545 CO -0.06 0.73 0.18 0.44 -0.34 0.00 0.00 178.44 179.40 3bg5 h ASP 546 N 1.04 0.82 0.25 1.25 3.32 -0.86 -1.35 116.42 120.89 3bg5 h ASP 546 Ca 0.27 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3bg5 h ASP 546 Cb -0.01 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3bg5 h ASP 546 CO -0.05 0.77 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.80 3bg5 h GLU 547 N 0.86 -0.32 -0.10 3.56 4.39 -0.43 -3.41 114.58 119.13 3bg5 h GLU 547 Ca 0.19 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3bg5 h GLU 547 Cb 0.25 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3bg5 h GLU 547 CO -0.01 -0.21 0.00 1.33 -1.16 0.00 0.00 179.01 178.96 3bg5 n VAL 548 N -3.74 0.19 -0.55 3.13 0.24 0.03 -5.10 118.33 112.54 3bg5 n VAL 548 Ca -0.04 -0.60 0.07 0.00 -2.04 0.00 0.00 64.34 61.74 3bg5 n VAL 548 Cb 0.13 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 3bg5 n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bg5 n GLY 549 N 0.80 -1.77 0.15 7.63 0.00 -0.51 -2.95 105.19 108.54 3bg5 n GLY 549 Ca 0.10 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 3bg5 n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bg5 h PRO 550 N -0.52 0.42 -0.64 1.61 0.13 -1.81 -1.28 132.00 129.92 3bg5 h PRO 550 Ca -0.01 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.22 3bg5 h PRO 550 Cb 0.51 -0.10 -0.09 0.00 0.13 0.00 0.00 31.00 31.45 3bg5 h PRO 550 CO 0.01 0.28 0.16 0.87 -0.23 0.00 0.00 178.00 179.09 3bg5 h LYS 551 N 0.43 0.29 -0.62 0.86 1.79 -1.92 -2.35 116.57 115.05 3bg5 h LYS 551 Ca 0.13 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.52 3bg5 h LYS 551 Cb -0.03 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3bg5 h LYS 551 CO -0.04 0.19 0.14 0.78 -1.08 0.00 0.00 179.45 179.44 3bg5 h GLY 552 N 0.30 1.09 0.61 3.86 0.00 -1.29 -1.75 103.07 105.88 3bg5 h GLY 552 Ca 0.34 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 47.02 3bg5 h GLY 552 CO -0.41 0.65 -0.02 -2.08 0.00 0.00 0.00 176.54 174.67 3bg5 h VAL 553 N 0.93 0.81 -0.33 4.60 2.07 -0.85 -0.54 116.25 122.94 3bg5 h VAL 553 Ca 0.19 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.73 3bg5 h VAL 553 Cb 0.38 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3bg5 h VAL 553 CO 0.01 0.01 0.14 0.00 0.02 0.00 0.00 177.57 177.74 3bg5 h ALA 554 N 1.20 0.40 -0.50 1.67 0.00 -1.24 -0.85 119.26 119.94 3bg5 h ALA 554 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3bg5 h ALA 554 Cb 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3bg5 h ALA 554 CO -0.20 -0.25 0.18 0.93 0.00 0.00 0.00 179.25 179.92 3bg5 h GLU 555 N 0.30 0.35 -0.86 0.00 4.39 -0.97 -1.84 114.58 115.95 3bg5 h GLU 555 Ca 0.15 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.85 3bg5 h GLU 555 Cb 0.09 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3bg5 h GLU 555 CO -0.13 0.23 0.57 2.35 -1.16 0.00 0.00 179.01 180.88 3bg5 h TRP 556 N 0.36 1.05 -0.29 4.33 7.01 -0.69 -2.99 115.95 124.74 3bg5 h TRP 556 Ca 0.24 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3bg5 h TRP 556 Cb 0.24 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3bg5 h TRP 556 CO -0.16 0.62 0.18 0.28 -2.79 0.00 0.00 178.44 176.58 3bg5 h VAL 557 N 1.10 1.09 -0.21 2.65 2.07 -0.31 -2.83 116.25 119.82 3bg5 h VAL 557 Ca 0.34 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.55 3bg5 h VAL 557 Cb -0.02 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3bg5 h VAL 557 CO -0.09 0.09 -0.35 0.07 0.02 0.00 0.00 177.57 177.31 3bg5 h LYS 558 N 0.38 0.44 -0.93 1.57 2.10 -1.41 -2.25 116.57 116.47 3bg5 h LYS 558 Ca 0.11 -0.20 0.17 0.00 -2.00 0.00 0.00 60.65 58.73 3bg5 h LYS 558 Cb -0.01 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.23 3bg5 h LYS 558 CO -0.02 0.74 0.59 0.87 -2.00 0.00 0.00 179.45 179.63 3bg5 h LYS 559 N 0.38 0.62 -6.46 0.07 1.57 -1.42 -3.43 116.57 107.90 3bg5 h LYS 559 Ca 0.04 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3bg5 h LYS 559 Cb 0.79 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.98 3bg5 h LYS 559 CO 0.06 0.41 0.97 -0.65 -0.57 0.00 0.00 179.45 179.68 3bg5 s GLN 560 N -5.66 4.21 -0.04 3.15 -1.52 -0.85 -4.92 119.66 114.03 3bg5 s GLN 560 Ca -0.10 2.30 -0.05 0.00 -1.95 0.00 0.00 55.36 55.56 3bg5 s GLN 560 Cb 0.23 -3.55 -0.28 0.00 -0.22 0.00 0.00 33.01 29.19 3bg5 s GLN 560 CO 0.79 -0.71 0.68 0.22 -0.25 0.00 0.00 175.29 176.03 3bg5 h ASP 561 N 8.12 0.44 -4.06 5.90 -0.00 -1.86 -3.46 116.42 121.50 3bg5 h ASP 561 Ca -0.42 -0.71 -0.55 0.00 -0.00 0.00 0.00 57.03 55.35 3bg5 h ASP 561 Cb 1.20 -0.14 0.17 0.00 -0.00 0.00 0.00 39.33 40.56 3bg5 h ASP 561 CO 0.93 1.61 0.38 0.47 -0.00 0.00 0.00 179.24 182.63 3bg5 n ASP 562 N -3.47 1.48 -4.72 2.28 9.92 -1.26 -4.75 116.55 116.03 3bg5 n ASP 562 Ca -0.22 0.73 -0.42 0.00 -0.53 0.00 0.00 54.79 54.35 3bg5 n ASP 562 Cb 1.06 -1.51 -0.03 0.00 -0.64 0.00 0.00 41.12 39.99 3bg5 n ASP 562 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3bg5 s VAL 563 N -1.67 4.59 0.04 2.53 1.01 -0.34 -4.90 120.40 121.66 3bg5 s VAL 563 Ca 0.78 1.95 -0.04 0.00 0.00 0.00 0.00 61.98 64.68 3bg5 s VAL 563 Cb -0.35 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 3bg5 s VAL 563 CO 0.45 0.21 0.27 -0.76 0.00 0.00 0.00 175.10 175.26 3bg5 s LEU 564 N 0.64 4.35 0.02 3.92 1.43 -0.72 -1.31 118.68 127.00 3bg5 s LEU 564 Ca 0.51 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 54.16 3bg5 s LEU 564 Cb -0.23 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3bg5 s LEU 564 CO 0.29 0.20 -0.21 -1.48 0.23 0.00 0.00 176.35 175.38 3bg5 s LEU 565 N -2.12 2.43 -0.20 1.79 2.34 -1.26 -1.81 118.68 119.84 3bg5 s LEU 565 Ca 0.32 -0.43 -0.07 0.00 0.06 0.00 0.00 54.13 54.01 3bg5 s LEU 565 Cb -0.13 -1.44 -0.04 0.00 -0.56 0.00 0.00 46.19 44.03 3bg5 s LEU 565 CO 0.21 0.28 0.06 -0.89 -1.06 0.00 0.00 176.35 174.95 3bg5 s THR 566 N -0.81 4.55 0.00 5.48 2.01 0.11 -1.46 115.64 125.52 3bg5 s THR 566 Ca 0.13 -0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.84 3bg5 s THR 566 Cb -0.10 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 3bg5 s THR 566 CO 0.03 0.42 0.51 -0.62 -0.69 0.00 0.00 174.62 174.27 3bg5 s ASP 567 N 0.79 6.91 0.00 3.53 2.15 -0.95 -0.43 116.67 128.67 3bg5 s ASP 567 Ca 0.03 1.08 0.10 0.00 0.43 0.00 0.00 52.55 54.18 3bg5 s ASP 567 Cb -0.14 -2.32 0.16 0.00 -0.30 0.00 0.00 42.92 40.33 3bg5 s ASP 567 CO 0.02 0.21 1.00 0.35 -0.17 0.00 0.00 175.17 176.57 3bg5 n THR 568 N 2.30 0.45 -0.28 1.71 -2.24 0.09 -0.81 114.28 115.50 3bg5 n THR 568 Ca -0.10 -0.73 0.07 0.00 -2.27 0.00 0.00 64.05 61.02 3bg5 n THR 568 Cb 0.51 0.88 0.22 0.00 -2.10 0.00 0.00 70.33 69.84 3bg5 n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3bg5 h THR 569 N 1.84 0.67 0.00 4.28 2.02 -1.81 -0.47 112.91 119.44 3bg5 h THR 569 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3bg5 h THR 569 Cb 0.54 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3bg5 h THR 569 CO 0.00 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.47 3bg5 n PHE 570 N -4.95 0.00 0.00 3.16 3.72 -1.26 -4.12 117.46 114.01 3bg5 n PHE 570 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3bg5 n PHE 570 Cb 0.45 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 3bg5 n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3bg5 n ARG 571 N -1.44 0.00 -0.09 -1.08 0.00 -0.38 -4.75 116.66 108.93 3bg5 n ARG 571 Ca 0.07 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.11 3bg5 n ARG 571 Cb 0.23 0.00 0.61 0.00 0.00 0.00 0.00 32.46 33.31 3bg5 n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3bg5 h ASP 572 N 0.00 0.17 0.50 6.15 -0.00 -1.75 -0.02 116.42 121.48 3bg5 h ASP 572 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.02 3bg5 h ASP 572 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 3bg5 h ASP 572 CO 0.00 0.09 -0.24 0.00 -0.00 0.00 0.00 179.24 179.09 3bg5 h ALA 573 N 1.68 -0.68 0.00 -0.78 0.00 -1.37 0.54 119.26 118.65 3bg5 h ALA 573 Ca 0.32 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3bg5 h ALA 573 Cb 1.01 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3bg5 h ALA 573 CO -0.06 -0.86 -0.45 1.12 0.00 0.00 0.00 179.25 179.01 3bg5 h HIS 574 N -0.72 0.00 -0.89 0.00 2.07 -1.64 -1.07 115.15 112.90 3bg5 h HIS 574 Ca -0.07 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.51 3bg5 h HIS 574 Cb 0.54 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.46 3bg5 h HIS 574 CO -0.03 0.45 0.56 0.37 -3.07 0.00 0.00 177.93 176.21 3bg5 h GLN 575 N 0.00 1.01 -0.01 5.12 4.15 -0.77 0.36 115.11 124.96 3bg5 h GLN 575 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 3bg5 h GLN 575 Cb 1.21 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3bg5 h GLN 575 CO 0.06 0.67 -0.07 0.77 -1.93 0.00 0.00 178.83 178.33 3bg5 h SER 576 N 1.04 0.09 0.61 -0.69 0.02 -0.63 -3.33 113.55 110.66 3bg5 h SER 576 Ca 0.38 -0.66 -0.27 0.00 -0.84 0.00 0.00 61.79 60.39 3bg5 h SER 576 Cb 0.13 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3bg5 h SER 576 CO -0.16 0.73 -1.52 -0.07 -1.14 0.00 0.00 176.83 174.67 3bg5 h LEU 577 N -0.55 0.03 -3.27 5.07 3.38 -0.92 -3.40 115.31 115.64 3bg5 h LEU 577 Ca -0.00 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3bg5 h LEU 577 Cb 0.73 -0.01 -0.23 0.00 0.09 0.00 0.00 40.66 41.24 3bg5 h LEU 577 CO 0.01 1.04 -0.80 0.18 0.09 0.00 0.00 178.44 178.97 3bg5 n LEU 578 N -3.15 2.14 -2.70 1.67 4.77 0.12 -2.84 117.00 117.00 3bg5 n LEU 578 Ca -0.13 -3.16 -0.16 0.00 -0.03 0.00 0.00 56.01 52.53 3bg5 n LEU 578 Cb 1.02 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3bg5 n LEU 578 CO 0.46 1.08 -0.12 0.00 -1.33 0.00 0.00 177.39 177.48 3bg5 n ALA 579 N -0.40 -0.85 -2.08 -1.18 0.00 -1.16 -1.89 120.51 112.95 3bg5 n ALA 579 Ca 0.15 0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 3bg5 n ALA 579 Cb 0.91 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3bg5 n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3bg5 n THR 580 N -3.67 -0.56 1.13 0.00 -1.04 -0.95 -4.92 114.28 104.27 3bg5 n THR 580 Ca -0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.01 3bg5 n THR 580 Cb 0.60 -2.24 0.26 0.00 -1.82 0.00 0.00 70.33 67.13 3bg5 n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3bg5 n ARG 581 N -2.57 0.62 -1.68 -2.82 5.12 -0.79 -4.79 116.66 109.74 3bg5 n ARG 581 Ca -0.19 -0.40 -0.48 0.00 -1.93 0.00 0.00 57.85 54.85 3bg5 n ARG 581 Cb 0.62 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.38 3bg5 n ARG 581 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3bg5 n VAL 582 N -0.84 0.58 -2.50 1.55 0.31 -1.26 -4.92 118.33 111.24 3bg5 n VAL 582 Ca 0.09 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 64.01 3bg5 n VAL 582 Cb 0.36 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 3bg5 n VAL 582 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3bg5 s ARG 583 N 4.05 3.85 0.26 5.55 0.52 -1.26 -4.97 118.95 126.94 3bg5 s ARG 583 Ca 0.93 0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 56.84 3bg5 s ARG 583 Cb -0.69 -2.22 0.49 0.00 0.52 0.00 0.00 34.95 33.05 3bg5 s ARG 583 CO 0.52 -0.22 1.62 1.15 0.02 0.00 0.00 175.30 178.38 3bg5 h THR 584 N 0.83 0.25 -0.79 0.02 2.02 -1.91 -2.60 112.91 110.73 3bg5 h THR 584 Ca -0.47 -0.02 0.19 0.00 0.77 0.00 0.00 66.41 66.88 3bg5 h THR 584 Cb 1.19 0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.64 3bg5 h THR 584 CO 0.62 0.01 0.16 0.50 0.37 0.00 0.00 175.52 177.19 3bg5 h LYS 585 N 0.07 0.21 0.00 6.66 1.63 -1.89 0.23 116.57 123.49 3bg5 h LYS 585 Ca 0.45 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.15 3bg5 h LYS 585 Cb 0.81 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 3bg5 h LYS 585 CO -0.75 0.14 -0.40 -0.44 -3.45 0.00 0.00 179.45 174.55 3bg5 h ASP 586 N 0.22 0.00 0.01 4.20 3.45 -1.85 -2.50 116.42 119.96 3bg5 h ASP 586 Ca 0.46 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.92 3bg5 h ASP 586 Cb 0.84 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 3bg5 h ASP 586 CO -0.59 0.40 -0.01 0.24 -1.57 0.00 0.00 179.24 177.71 3bg5 h MET 587 N 0.00 -0.02 -0.93 3.56 2.86 -0.61 -3.32 114.93 116.48 3bg5 h MET 587 Ca -0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 3bg5 h MET 587 Cb 0.97 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 3bg5 h MET 587 CO 0.05 0.77 0.59 0.82 1.06 0.00 0.00 176.91 180.21 3bg5 h ILE 588 N -0.92 0.77 -0.41 -1.22 1.08 -0.91 -1.89 117.51 114.00 3bg5 h ILE 588 Ca -0.00 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3bg5 h ILE 588 Cb 0.80 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 3bg5 h ILE 588 CO 0.00 0.12 0.26 0.78 -0.69 0.00 0.00 178.15 178.62 3bg5 h ASN 589 N 0.65 0.48 -0.52 1.72 -0.26 -1.54 -2.65 115.58 113.47 3bg5 h ASN 589 Ca 0.49 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 3bg5 h ASN 589 Cb 0.88 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 3bg5 h ASN 589 CO -0.24 0.37 0.00 2.30 -1.06 0.00 0.00 177.43 178.80 3bg5 n ILE 590 N -4.46 1.00 -0.15 2.81 -6.64 -0.85 -4.68 119.36 106.40 3bg5 n ILE 590 Ca 0.03 -1.00 -0.04 0.00 -1.77 0.00 0.00 62.75 59.97 3bg5 n ILE 590 Cb 0.07 0.50 0.05 0.00 -1.44 0.00 0.00 39.64 38.82 3bg5 n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3bg5 h ALA 591 N 3.00 0.56 -0.74 -1.28 0.00 -0.98 0.14 119.26 119.95 3bg5 h ALA 591 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3bg5 h ALA 591 Cb 0.84 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3bg5 h ALA 591 CO 0.00 -0.24 0.25 0.66 0.00 0.00 0.00 179.25 179.92 3bg5 h SER 592 N 0.32 1.07 -0.50 0.00 4.64 -1.79 0.12 113.55 117.41 3bg5 h SER 592 Ca 0.22 -0.20 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3bg5 h SER 592 Cb 0.23 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3bg5 h SER 592 CO -0.23 0.99 -0.01 0.50 -0.87 0.00 0.00 176.83 177.21 3bg5 h LYS 593 N 1.10 0.88 -0.83 4.77 1.63 -1.65 -3.05 116.57 119.43 3bg5 h LYS 593 Ca 0.24 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3bg5 h LYS 593 Cb 0.29 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 3bg5 h LYS 593 CO -0.01 0.92 0.50 1.15 -3.45 0.00 0.00 179.45 178.56 3bg5 h THR 594 N 0.75 1.23 -0.91 1.00 2.02 -0.21 0.11 112.91 116.89 3bg5 h THR 594 Ca 0.14 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.84 3bg5 h THR 594 Cb 0.53 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3bg5 h THR 594 CO 0.03 0.24 0.61 0.00 0.37 0.00 0.00 175.52 176.76 3bg5 h ALA 595 N 1.41 1.35 0.02 6.16 0.00 -0.93 -1.21 119.26 126.07 3bg5 h ALA 595 Ca 0.30 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3bg5 h ALA 595 Cb -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.38 3bg5 h ALA 595 CO -0.06 0.60 -0.50 0.22 0.00 0.00 0.00 179.25 179.51 3bg5 h ASP 596 N 1.23 0.40 -0.25 0.00 3.58 -1.22 -2.98 116.42 117.19 3bg5 h ASP 596 Ca 0.34 -0.81 0.01 0.00 0.42 0.00 0.00 57.03 56.99 3bg5 h ASP 596 Cb -0.13 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3bg5 h ASP 596 CO -0.07 1.16 0.14 0.58 -2.88 0.00 0.00 179.24 178.17 3bg5 h VAL 597 N -0.31 1.03 -0.81 2.25 2.07 -0.66 -3.00 116.25 116.82 3bg5 h VAL 597 Ca -0.07 -0.10 -0.35 0.00 0.82 0.00 0.00 66.70 67.00 3bg5 h VAL 597 Cb 1.26 0.71 -0.21 0.00 -1.52 0.00 0.00 31.29 31.53 3bg5 h VAL 597 CO 0.10 0.05 0.45 0.49 0.02 0.00 0.00 177.57 178.68 3bg5 n PHE 598 N -4.95 2.57 -0.25 1.57 3.01 -0.47 -3.98 117.46 114.96 3bg5 n PHE 598 Ca -0.02 -1.46 0.14 0.00 1.01 0.00 0.00 57.45 57.12 3bg5 n PHE 598 Cb 0.04 -0.78 0.42 0.00 -0.01 0.00 0.00 39.48 39.15 3bg5 n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3bg5 h LYS 599 N 1.57 0.58 -0.69 -1.08 2.10 -1.37 0.04 116.57 117.71 3bg5 h LYS 599 Ca 0.44 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3bg5 h LYS 599 Cb 2.49 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 33.69 3bg5 h LYS 599 CO 0.87 0.38 0.00 -0.25 -2.00 0.00 0.00 179.45 178.45 3bg5 n ASP 600 N -4.54 3.81 -4.85 7.07 8.00 -1.26 -4.59 116.55 120.18 3bg5 n ASP 600 Ca 0.17 -2.00 -0.32 0.00 0.71 0.00 0.00 54.79 53.36 3bg5 n ASP 600 Cb 0.52 -0.46 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3bg5 n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bg5 s GLY 601 N -1.04 1.87 0.02 0.44 0.00 -0.00 -4.86 107.32 103.75 3bg5 s GLY 601 Ca 0.47 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.98 3bg5 s GLY 601 CO 0.33 0.36 1.21 -2.75 0.00 0.00 0.00 173.10 172.24 3bg5 h PHE 602 N 0.21 -0.95 -3.23 1.90 3.57 -1.56 -3.42 116.94 113.46 3bg5 h PHE 602 Ca -0.45 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 3bg5 h PHE 602 Cb 1.19 0.31 -0.12 0.00 2.79 0.00 0.00 35.95 40.12 3bg5 h PHE 602 CO 0.64 -0.58 0.05 -1.54 -2.23 0.00 0.00 178.31 174.65 3bg5 s SER 603 N -4.38 -0.36 -0.26 0.41 1.04 -1.25 -3.64 113.70 105.25 3bg5 s SER 603 Ca -0.15 -0.23 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 3bg5 s SER 603 Cb 0.02 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 3bg5 s SER 603 CO 0.46 -0.93 0.09 -0.76 0.98 0.00 0.00 173.24 173.08 3bg5 s LEU 604 N -2.80 3.59 -0.33 2.42 1.43 0.43 -2.23 118.68 121.20 3bg5 s LEU 604 Ca 0.03 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3bg5 s LEU 604 Cb 0.00 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3bg5 s LEU 604 CO -0.11 -0.07 1.19 -0.70 0.23 0.00 0.00 176.35 176.89 3bg5 s GLU 605 N 1.61 3.96 0.00 1.70 2.12 0.01 -0.60 118.70 127.49 3bg5 s GLU 605 Ca 0.06 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3bg5 s GLU 605 Cb -0.16 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.41 3bg5 s GLU 605 CO 0.04 -1.06 0.89 0.00 -0.54 0.00 0.00 175.26 174.59 3bg5 n MET 606 N 7.19 0.00 -3.62 4.30 0.00 -0.30 -3.47 117.12 121.23 3bg5 n MET 606 Ca 0.13 -0.78 -0.08 0.00 0.00 0.00 0.00 57.70 56.97 3bg5 n MET 606 Cb 0.47 -0.39 -0.02 0.00 0.00 0.00 0.00 33.22 33.28 3bg5 n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3bg5 s TRP 607 N 0.00 -0.32 0.00 3.17 -0.00 -1.23 -4.84 118.94 115.72 3bg5 s TRP 607 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 56.10 56.15 3bg5 s TRP 607 Cb 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 33.47 34.08 3bg5 s TRP 607 CO 0.00 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.50 3bg5 n GLY 608 N -0.38 -1.36 7.00 5.86 0.00 -1.26 -2.56 105.19 112.48 3bg5 n GLY 608 Ca -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3bg5 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 609 N 0.00 2.88 0.52 -0.02 0.00 -1.18 -1.51 105.19 105.88 3bg5 n GLY 609 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3bg5 n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 n ALA 610 N 9.01 2.55 -0.12 4.61 0.00 -1.26 -4.42 120.51 130.88 3bg5 n ALA 610 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 3bg5 n ALA 610 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3bg5 n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bg5 h THR 611 N 2.34 1.22 0.39 0.00 1.35 -1.62 -1.44 112.91 115.15 3bg5 h THR 611 Ca 0.00 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 3bg5 h THR 611 Cb 0.50 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.94 3bg5 h THR 611 CO 0.00 0.25 -0.50 0.15 -0.25 0.00 0.00 175.52 175.17 3bg5 h PHE 612 N 0.40 -1.39 -0.13 4.73 3.57 -1.77 0.13 116.94 122.48 3bg5 h PHE 612 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3bg5 h PHE 612 Cb 0.29 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3bg5 h PHE 612 CO 0.01 -0.64 0.07 0.22 -2.23 0.00 0.00 178.31 175.74 3bg5 h ASP 613 N -0.92 0.17 -0.77 0.41 -0.00 -1.84 -2.85 116.42 110.62 3bg5 h ASP 613 Ca -0.04 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.03 56.85 3bg5 h ASP 613 Cb 0.83 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 40.08 3bg5 h ASP 613 CO -0.13 0.22 0.33 0.58 -0.00 0.00 0.00 179.24 180.24 3bg5 h VAL 614 N 0.11 1.25 0.54 2.25 2.07 -1.13 -0.69 116.25 120.65 3bg5 h VAL 614 Ca 0.05 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3bg5 h VAL 614 Cb 0.09 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3bg5 h VAL 614 CO -0.01 0.32 -0.51 0.00 0.02 0.00 0.00 177.57 177.39 3bg5 h ALA 615 N 1.17 -1.17 -1.00 1.67 0.00 -0.68 -1.04 119.26 118.21 3bg5 h ALA 615 Ca 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3bg5 h ALA 615 Cb 0.18 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3bg5 h ALA 615 CO -0.03 -1.19 0.66 1.88 0.00 0.00 0.00 179.25 180.57 3bg5 h TYR 616 N -1.03 1.25 0.00 0.00 0.99 -1.29 0.74 116.97 117.62 3bg5 h TYR 616 Ca -0.07 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 3bg5 h TYR 616 Cb 0.89 -0.42 -0.00 0.00 1.00 0.00 0.00 36.73 38.19 3bg5 h TYR 616 CO -0.24 0.77 -0.49 -0.97 -0.00 0.00 0.00 178.16 177.23 3bg5 h ASN 617 N 1.33 0.00 0.25 3.88 -0.00 -1.02 -3.29 115.58 116.73 3bg5 h ASN 617 Ca 0.37 -0.09 -0.34 0.00 -0.00 0.00 0.00 56.30 56.24 3bg5 h ASN 617 Cb -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.19 3bg5 h ASN 617 CO -0.09 0.81 -1.77 -0.26 -0.00 0.00 0.00 177.43 176.12 3bg5 h PHE 618 N -1.00 0.57 0.00 0.67 -1.00 -1.38 -3.37 116.94 111.43 3bg5 h PHE 618 Ca -0.04 -0.42 0.00 0.00 2.81 0.00 0.00 57.97 60.32 3bg5 h PHE 618 Cb 0.53 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3bg5 h PHE 618 CO -0.13 1.61 -0.98 1.28 -1.61 0.00 0.00 178.31 178.49 3bg5 n LEU 619 N -3.51 0.62 -2.99 1.54 4.77 -0.97 -4.97 117.00 111.50 3bg5 n LEU 619 Ca -0.24 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.54 3bg5 n LEU 619 Cb 1.06 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 42.05 3bg5 n LEU 619 CO 0.49 0.03 -0.07 0.29 -1.33 0.00 0.00 177.39 176.80 3bg5 n LYS 620 N -1.98 -3.55 -4.42 3.23 4.01 0.14 -4.82 118.16 110.77 3bg5 n LYS 620 Ca 0.02 0.69 -0.24 0.00 -0.51 0.00 0.00 58.31 58.27 3bg5 n LYS 620 Cb 0.44 -5.42 -0.09 0.00 -0.51 0.00 0.00 35.03 29.44 3bg5 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3bg5 s GLU 621 N -5.64 1.85 -0.47 1.97 -1.05 -0.55 -4.64 118.70 110.17 3bg5 s GLU 621 Ca 0.26 -1.69 -0.20 0.00 -0.15 0.00 0.00 54.97 53.19 3bg5 s GLU 621 Cb -0.13 -1.87 0.04 0.00 -0.44 0.00 0.00 34.13 31.73 3bg5 s GLU 621 CO 0.32 0.33 0.65 1.21 0.95 0.00 0.00 175.26 178.71 3bg5 s ASN 622 N -3.56 6.28 0.61 0.83 3.04 -1.26 -2.71 114.94 118.17 3bg5 s ASN 622 Ca 0.31 -0.56 0.30 0.00 0.04 0.00 0.00 52.86 52.95 3bg5 s ASN 622 Cb -0.05 -2.31 1.70 0.00 -1.54 0.00 0.00 41.25 39.05 3bg5 s ASN 622 CO 0.16 -0.84 2.06 1.55 -3.04 0.00 0.00 177.10 177.00 3bg5 h PRO 623 N 8.94 0.00 -0.01 0.43 0.13 -1.91 0.51 132.00 140.10 3bg5 h PRO 623 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 3bg5 h PRO 623 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3bg5 h PRO 623 CO 0.93 0.00 -0.64 -1.49 -0.23 0.00 0.00 178.00 176.57 3bg5 h TRP 624 N 0.00 0.06 -0.14 1.56 4.06 -1.97 -2.49 115.95 117.02 3bg5 h TRP 624 Ca 0.08 -0.02 -0.22 0.00 2.06 0.00 0.00 58.89 60.79 3bg5 h TRP 624 Cb 0.58 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.74 3bg5 h TRP 624 CO 0.00 0.67 -0.79 0.93 -3.56 0.00 0.00 178.44 175.69 3bg5 h GLU 625 N 0.03 0.77 -0.47 0.49 5.08 -0.40 -2.13 114.58 117.95 3bg5 h GLU 625 Ca -0.01 -0.64 0.08 0.00 -1.00 0.00 0.00 59.36 57.80 3bg5 h GLU 625 Cb 1.13 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.45 3bg5 h GLU 625 CO 0.09 1.24 0.08 -0.09 -1.00 0.00 0.00 179.01 179.33 3bg5 h ARG 626 N 0.52 0.21 -0.13 2.33 2.43 -1.31 0.98 114.38 119.40 3bg5 h ARG 626 Ca -0.06 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3bg5 h ARG 626 Cb 1.42 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 3bg5 h ARG 626 CO 0.16 0.14 0.02 1.25 -1.51 0.00 0.00 179.97 180.02 3bg5 h LEU 627 N 0.21 0.22 -0.48 3.80 5.85 -1.43 -1.54 115.31 121.93 3bg5 h LEU 627 Ca 0.23 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3bg5 h LEU 627 Cb 0.31 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3bg5 h LEU 627 CO -0.31 0.43 0.08 -0.33 -0.34 0.00 0.00 178.44 177.97 3bg5 h GLU 628 N -0.00 0.80 -0.31 1.25 5.08 -1.06 0.10 114.58 120.43 3bg5 h GLU 628 Ca 0.04 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3bg5 h GLU 628 Cb 0.31 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3bg5 h GLU 628 CO 0.00 0.80 -0.23 0.00 -1.00 0.00 0.00 179.01 178.58 3bg5 h ARG 629 N 0.67 0.59 0.00 2.33 3.08 -0.85 -2.64 114.38 117.56 3bg5 h ARG 629 Ca 0.15 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3bg5 h ARG 629 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3bg5 h ARG 629 CO 0.01 0.78 -0.57 -0.07 -1.07 0.00 0.00 179.97 179.05 3bg5 h LEU 630 N 0.52 0.00 0.95 3.04 3.38 -0.93 -2.81 115.31 119.47 3bg5 h LEU 630 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3bg5 h LEU 630 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 3bg5 h LEU 630 CO 0.05 0.57 -0.48 -0.09 0.09 0.00 0.00 178.44 178.58 3bg5 h ARG 631 N 0.00 -1.26 -0.57 1.13 1.12 -0.46 0.01 114.38 114.35 3bg5 h ARG 631 Ca -0.01 0.09 0.10 0.00 -1.11 0.00 0.00 59.98 59.05 3bg5 h ARG 631 Cb 1.01 0.29 -0.08 0.00 -0.01 0.00 0.00 29.97 31.18 3bg5 h ARG 631 CO 0.07 -0.84 0.12 0.87 -3.11 0.00 0.00 179.97 177.09 3bg5 h LYS 632 N -1.31 0.25 0.00 0.20 1.57 -1.53 -2.60 116.57 113.15 3bg5 h LYS 632 Ca -0.13 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3bg5 h LYS 632 Cb 1.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3bg5 h LYS 632 CO 0.20 0.17 -0.35 0.00 -0.57 0.00 0.00 179.45 178.89 3bg5 h ALA 633 N 1.45 1.14 -2.56 3.86 0.00 -1.45 -3.35 119.26 118.35 3bg5 h ALA 633 Ca 0.29 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 54.28 3bg5 h ALA 633 Cb 0.42 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.75 3bg5 h ALA 633 CO -0.38 0.44 -0.78 -0.89 0.00 0.00 0.00 179.25 177.65 3bg5 n ILE 634 N -3.71 0.52 1.80 0.00 5.41 -0.02 -4.38 119.36 118.98 3bg5 n ILE 634 Ca -0.01 -4.34 0.14 0.00 1.00 0.00 0.00 62.75 59.54 3bg5 n ILE 634 Cb 0.45 -1.97 0.73 0.00 -0.71 0.00 0.00 39.64 38.14 3bg5 n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3bg5 n PRO 635 N 1.99 1.24 -0.05 0.38 -0.04 -1.16 -4.25 135.00 133.10 3bg5 n PRO 635 Ca 0.25 -0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 3bg5 n PRO 635 Cb 0.43 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 3bg5 n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3bg5 n ASN 636 N -0.54 1.41 -4.82 3.54 6.94 -1.26 -4.69 115.26 115.84 3bg5 n ASN 636 Ca 0.20 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.47 3bg5 n ASN 636 Cb 0.19 1.18 -0.06 0.00 -2.36 0.00 0.00 39.78 38.73 3bg5 n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3bg5 s VAL 637 N -2.63 4.76 0.25 3.53 1.01 -1.26 -1.24 120.40 124.83 3bg5 s VAL 637 Ca -0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3bg5 s VAL 637 Cb 0.06 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3bg5 s VAL 637 CO 0.62 0.09 1.40 -0.76 0.00 0.00 0.00 175.10 176.45 3bg5 s LEU 638 N -2.54 4.40 -0.11 3.92 1.43 -1.24 -4.52 118.68 120.02 3bg5 s LEU 638 Ca 0.31 2.63 -0.13 0.00 -1.03 0.00 0.00 54.13 55.91 3bg5 s LEU 638 Cb -0.12 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3bg5 s LEU 638 CO 0.24 -0.65 0.31 -0.36 0.23 0.00 0.00 176.35 176.11 3bg5 s PHE 639 N -0.17 3.56 -0.01 0.29 0.40 -1.26 -0.43 117.98 120.36 3bg5 s PHE 639 Ca 0.57 0.71 0.06 0.00 -0.60 0.00 0.00 56.93 57.67 3bg5 s PHE 639 Cb -0.41 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 40.84 3bg5 s PHE 639 CO 0.44 0.43 -0.20 -1.14 0.70 0.00 0.00 175.22 175.45 3bg5 s GLN 640 N -0.20 1.59 0.19 0.44 0.74 0.23 -0.81 119.66 121.84 3bg5 s GLN 640 Ca 0.19 -0.74 0.05 0.00 0.05 0.00 0.00 55.36 54.91 3bg5 s GLN 640 Cb -0.14 -1.56 -0.05 0.00 1.10 0.00 0.00 33.01 32.37 3bg5 s GLN 640 CO 0.07 0.42 -0.09 0.00 -0.55 0.00 0.00 175.29 175.14 3bg5 s MET 641 N -0.56 1.24 -0.23 1.67 0.23 -0.29 -1.14 119.30 120.22 3bg5 s MET 641 Ca 0.08 -1.57 -0.08 0.00 -1.03 0.00 0.00 55.69 53.09 3bg5 s MET 641 Cb -0.08 -0.80 -0.04 0.00 -1.53 0.00 0.00 34.83 32.38 3bg5 s MET 641 CO -0.00 0.06 0.09 -1.17 -2.03 0.00 0.00 175.02 171.96 3bg5 s LEU 642 N -3.26 3.67 -0.23 0.18 2.96 -1.06 -1.30 118.68 119.64 3bg5 s LEU 642 Ca 0.22 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3bg5 s LEU 642 Cb 0.02 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.80 3bg5 s LEU 642 CO 0.05 0.04 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.79 3bg5 s LEU 643 N 1.17 2.86 0.16 -0.68 2.96 0.30 -3.10 118.68 122.34 3bg5 s LEU 643 Ca 0.05 -1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 3bg5 s LEU 643 Cb -0.14 -1.42 -0.08 0.00 0.50 0.00 0.00 46.19 45.04 3bg5 s LEU 643 CO 0.04 -0.15 1.33 -0.60 -1.32 0.00 0.00 176.35 175.64 3bg5 s ARG 644 N 1.23 4.37 0.24 1.98 3.52 -0.58 -2.26 118.95 127.45 3bg5 s ARG 644 Ca -0.05 2.04 -0.06 0.00 -0.13 0.00 0.00 55.73 57.54 3bg5 s ARG 644 Cb -0.18 -3.22 0.32 0.00 -1.56 0.00 0.00 34.95 30.31 3bg5 s ARG 644 CO -0.07 -0.31 1.85 0.00 -0.81 0.00 0.00 175.30 175.95 3bg5 h ALA 645 N 5.94 1.14 -0.04 6.12 0.00 -0.92 -1.34 119.26 130.16 3bg5 h ALA 645 Ca -0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3bg5 h ALA 645 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3bg5 h ALA 645 CO 0.81 0.25 -0.12 0.66 0.00 0.00 0.00 179.25 180.85 3bg5 h SER 646 N 0.94 0.17 -0.11 0.00 4.64 -1.83 -3.41 113.55 113.96 3bg5 h SER 646 Ca 0.36 -0.61 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 3bg5 h SER 646 Cb 0.16 -0.05 -0.35 0.00 -0.31 0.00 0.00 62.40 61.86 3bg5 h SER 646 CO -0.17 0.76 -0.98 -0.46 -0.87 0.00 0.00 176.83 175.10 3bg5 n ASN 647 N -4.65 1.33 0.00 4.97 0.23 -1.21 -4.51 115.26 111.42 3bg5 n ASN 647 Ca -0.08 -2.29 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 3bg5 n ASN 647 Cb 0.38 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 3bg5 n ASN 647 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bg5 n ALA 648 N 0.05 0.00 -0.75 -2.53 0.00 -0.51 -0.37 120.51 116.40 3bg5 n ALA 648 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3bg5 n ALA 648 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 3bg5 n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3bg5 n VAL 649 N 0.00 0.18 -1.19 0.00 3.14 -1.26 -1.53 118.33 117.67 3bg5 n VAL 649 Ca 0.00 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3bg5 n VAL 649 Cb 0.00 1.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.92 3bg5 n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3bg5 n GLY 650 N -0.09 0.73 0.00 7.55 0.00 0.50 -4.71 105.19 109.17 3bg5 n GLY 650 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3bg5 n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3bg5 n TYR 651 N -0.10 0.00 -2.35 1.61 0.18 -1.26 -4.97 117.16 110.27 3bg5 n TYR 651 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3bg5 n TYR 651 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3bg5 n TYR 651 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3bg5 n LYS 652 N -0.68 3.49 -4.01 -3.48 5.02 -1.26 -5.14 118.16 112.11 3bg5 n LYS 652 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3bg5 n LYS 652 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 3bg5 n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3bg5 s ASN 653 N -0.12 5.98 0.01 4.39 0.01 -1.26 -4.73 114.94 119.22 3bg5 s ASN 653 Ca 0.00 0.04 -0.00 0.00 -0.71 0.00 0.00 52.86 52.19 3bg5 s ASN 653 Cb 0.00 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 39.95 3bg5 s ASN 653 CO 0.00 0.06 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.33 3bg5 s TYR 654 N -1.75 0.13 0.75 2.20 1.51 -1.26 -5.10 117.35 113.84 3bg5 s TYR 654 Ca 0.33 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.97 3bg5 s TYR 654 Cb -0.11 -0.10 0.04 0.00 -0.11 0.00 0.00 41.96 41.68 3bg5 s TYR 654 CO 0.26 -0.11 1.12 -0.35 -1.11 0.00 0.00 175.55 175.37 3bg5 n PRO 655 N 2.27 0.46 -0.30 -1.71 -0.04 -1.26 -4.65 135.00 129.78 3bg5 n PRO 655 Ca -0.18 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 3bg5 n PRO 655 Cb 0.57 -2.37 0.25 0.00 -0.04 0.00 0.00 33.50 31.92 3bg5 n PRO 655 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3bg5 h ASP 656 N -0.42 0.47 0.23 3.54 3.32 -1.90 -0.95 116.42 120.72 3bg5 h ASP 656 Ca -0.47 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3bg5 h ASP 656 Cb 1.32 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3bg5 h ASP 656 CO 0.47 0.16 0.00 -0.55 -1.72 0.00 0.00 179.24 177.60 3bg5 h ASN 657 N 0.56 0.00 -0.03 6.45 -1.07 -1.97 -0.34 115.58 119.18 3bg5 h ASN 657 Ca 0.49 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.84 3bg5 h ASN 657 Cb 0.78 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.03 3bg5 h ASN 657 CO -0.41 0.00 -0.08 0.58 0.07 0.00 0.00 177.43 177.59 3bg5 h VAL 658 N 0.00 1.47 -0.30 6.14 2.07 -1.52 -1.84 116.25 122.27 3bg5 h VAL 658 Ca 0.00 -1.51 0.06 0.00 0.82 0.00 0.00 66.70 66.07 3bg5 h VAL 658 Cb 0.11 2.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3bg5 h VAL 658 CO 0.00 0.41 -0.04 0.40 0.02 0.00 0.00 177.57 178.36 3bg5 h ILE 659 N -0.48 0.74 -0.17 4.57 1.08 -1.19 -1.36 117.51 120.70 3bg5 h ILE 659 Ca -0.00 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 3bg5 h ILE 659 Cb 0.70 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 3bg5 h ILE 659 CO 0.02 0.01 0.03 0.45 -0.69 0.00 0.00 178.15 177.96 3bg5 h HIS 660 N 0.04 0.05 -0.72 1.37 3.86 -1.20 -1.53 115.15 117.02 3bg5 h HIS 660 Ca 0.15 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3bg5 h HIS 660 Cb 0.21 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3bg5 h HIS 660 CO -0.26 0.01 0.43 -0.22 0.86 0.00 0.00 177.93 178.76 3bg5 h LYS 661 N 0.10 0.98 0.05 2.45 1.63 -1.13 0.05 116.57 120.70 3bg5 h LYS 661 Ca 0.08 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3bg5 h LYS 661 Cb 0.08 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3bg5 h LYS 661 CO -0.11 0.69 -0.03 0.35 -3.45 0.00 0.00 179.45 176.91 3bg5 h PHE 662 N 0.98 -0.07 -0.11 1.91 3.57 -1.08 -1.06 116.94 121.10 3bg5 h PHE 662 Ca 0.26 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3bg5 h PHE 662 Cb -0.03 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3bg5 h PHE 662 CO -0.01 0.09 0.07 0.28 -2.23 0.00 0.00 178.31 176.51 3bg5 h VAL 663 N -0.21 1.03 -0.12 1.41 2.07 -1.04 0.46 116.25 119.84 3bg5 h VAL 663 Ca -0.01 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3bg5 h VAL 663 Cb 0.19 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3bg5 h VAL 663 CO 0.01 0.03 -0.35 1.56 0.02 0.00 0.00 177.57 178.84 3bg5 h GLN 664 N 0.14 -0.41 -0.85 1.57 1.08 -0.96 0.37 115.11 116.05 3bg5 h GLN 664 Ca 0.04 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3bg5 h GLN 664 Cb -0.02 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3bg5 h GLN 664 CO -0.01 -0.28 0.49 0.93 -0.95 0.00 0.00 178.83 179.02 3bg5 h GLU 665 N -0.43 1.17 -0.23 1.46 4.39 -1.03 -0.91 114.58 119.00 3bg5 h GLU 665 Ca 0.09 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3bg5 h GLU 665 Cb 0.57 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3bg5 h GLU 665 CO -0.36 0.83 0.07 0.77 -1.16 0.00 0.00 179.01 179.16 3bg5 h SER 666 N 1.18 0.33 -0.11 1.42 0.02 0.48 -2.51 113.55 114.37 3bg5 h SER 666 Ca 0.30 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3bg5 h SER 666 Cb -0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3bg5 h SER 666 CO -0.05 0.45 0.07 0.00 -1.14 0.00 0.00 176.83 176.15 3bg5 h ALA 667 N 0.90 0.14 -0.88 3.77 0.00 -0.13 -2.37 119.26 120.69 3bg5 h ALA 667 Ca 0.07 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.11 3bg5 h ALA 667 Cb 0.23 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3bg5 h ALA 667 CO -0.00 -0.34 0.57 -0.22 0.00 0.00 0.00 179.25 179.26 3bg5 h LYS 668 N 0.11 0.56 -0.01 0.00 3.64 -1.15 -1.75 116.57 117.97 3bg5 h LYS 668 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3bg5 h LYS 668 Cb 0.04 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3bg5 h LYS 668 CO -0.01 0.37 -0.16 0.00 -2.27 0.00 0.00 179.45 177.39 3bg5 n ALA 669 N -2.46 2.88 0.00 5.00 0.00 -0.95 -4.93 120.51 120.05 3bg5 n ALA 669 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3bg5 n ALA 669 Cb 0.54 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3bg5 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 670 N 1.28 0.15 3.72 0.00 0.00 -0.66 -4.43 105.19 105.26 3bg5 n GLY 670 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3bg5 n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 671 N -0.73 4.28 -0.06 -0.61 -1.09 -0.91 -4.41 121.20 117.66 3bg5 s ILE 671 Ca 0.00 1.73 0.06 0.00 -2.23 0.00 0.00 60.65 60.21 3bg5 s ILE 671 Cb 0.00 -4.11 -0.08 0.00 -1.58 0.00 0.00 42.46 36.69 3bg5 s ILE 671 CO 0.00 0.19 0.03 0.47 -1.23 0.00 0.00 174.94 174.40 3bg5 n ASP 672 N 3.44 3.37 -3.98 3.58 10.43 0.01 -4.37 116.55 129.02 3bg5 n ASP 672 Ca 0.06 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.13 3bg5 n ASP 672 Cb 0.48 0.70 -0.17 0.00 1.84 0.00 0.00 41.12 43.97 3bg5 n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3bg5 s VAL 673 N -2.18 1.38 -0.29 2.53 1.01 -0.45 -0.51 120.40 121.90 3bg5 s VAL 673 Ca -0.03 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3bg5 s VAL 673 Cb 0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3bg5 s VAL 673 CO 0.27 0.41 0.11 -0.36 0.00 0.00 0.00 175.10 175.53 3bg5 s PHE 674 N 1.56 3.14 -0.68 5.22 0.08 -0.54 -1.14 117.98 125.63 3bg5 s PHE 674 Ca 0.05 -0.67 -0.24 0.00 0.12 0.00 0.00 56.93 56.19 3bg5 s PHE 674 Cb -0.13 -2.29 0.06 0.00 -0.57 0.00 0.00 43.02 40.09 3bg5 s PHE 674 CO -0.10 -0.47 1.05 0.50 -0.10 0.00 0.00 175.22 176.10 3bg5 s ARG 675 N 1.58 3.14 -0.21 0.44 3.52 -0.42 -0.79 118.95 126.20 3bg5 s ARG 675 Ca 0.04 -0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 54.76 3bg5 s ARG 675 Cb -0.17 -4.23 -0.03 0.00 -1.56 0.00 0.00 34.95 28.97 3bg5 s ARG 675 CO 0.04 -1.91 0.56 0.42 -0.81 0.00 0.00 175.30 173.61 3bg5 s ILE 676 N 4.49 5.07 0.01 4.11 1.01 0.55 -0.53 121.20 135.90 3bg5 s ILE 676 Ca 0.26 1.04 0.02 0.00 0.00 0.00 0.00 60.65 61.96 3bg5 s ILE 676 Cb -0.14 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3bg5 s ILE 676 CO 0.11 0.14 -0.06 0.72 0.00 0.00 0.00 174.94 175.85 3bg5 s PHE 677 N 1.84 0.49 -0.11 3.97 -0.71 -0.96 -0.97 117.98 121.53 3bg5 s PHE 677 Ca 0.26 -0.23 -0.03 0.00 -1.04 0.00 0.00 56.93 55.89 3bg5 s PHE 677 Cb -0.16 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.31 3bg5 s PHE 677 CO 0.10 -0.04 0.02 0.34 -1.34 0.00 0.00 175.22 174.30 3bg5 s ASP 678 N -0.61 5.39 0.00 1.98 -1.08 -1.26 -0.25 116.67 120.83 3bg5 s ASP 678 Ca -0.03 0.15 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 3bg5 s ASP 678 Cb -0.05 -1.63 1.09 0.00 -1.46 0.00 0.00 42.92 40.87 3bg5 s ASP 678 CO -0.00 0.34 1.67 -1.54 0.52 0.00 0.00 175.17 176.16 3bg5 n SER 679 N 2.41 0.00 -0.03 -0.34 3.41 -1.26 -1.59 113.62 116.22 3bg5 n SER 679 Ca -0.18 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3bg5 n SER 679 Cb 0.54 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3bg5 n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bg5 n LEU 680 N -1.25 1.94 -2.44 1.04 4.77 -1.26 -4.43 117.00 115.37 3bg5 n LEU 680 Ca 0.11 -1.90 -0.20 0.00 -0.03 0.00 0.00 56.01 53.99 3bg5 n LEU 680 Cb 0.16 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3bg5 n LEU 680 CO 0.16 0.48 -0.19 0.59 -1.33 0.00 0.00 177.39 177.10 3bg5 n ASN 681 N -0.41 -5.77 -4.46 -1.43 3.02 -0.62 -4.43 115.26 101.16 3bg5 n ASN 681 Ca 0.00 -0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 54.03 3bg5 n ASN 681 Cb 0.23 -4.74 -0.04 0.00 -0.61 0.00 0.00 39.78 34.62 3bg5 n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3bg5 s TRP 682 N -3.04 2.81 0.26 3.10 -0.00 -1.26 -4.94 118.94 115.87 3bg5 s TRP 682 Ca 0.08 -0.47 -0.01 0.00 -0.00 0.00 0.00 56.10 55.70 3bg5 s TRP 682 Cb -0.04 -4.08 0.57 0.00 -0.00 0.00 0.00 33.47 29.93 3bg5 s TRP 682 CO 0.10 -1.43 1.71 0.28 -0.00 0.00 0.00 176.95 177.61 3bg5 h VAL 683 N 5.96 0.55 -0.17 5.86 2.07 -1.96 -2.33 116.25 126.23 3bg5 h VAL 683 Ca -0.28 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3bg5 h VAL 683 Cb 1.08 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3bg5 h VAL 683 CO 1.11 0.07 0.12 0.44 0.02 0.00 0.00 177.57 179.34 3bg5 h ASP 684 N 0.39 0.00 1.27 0.57 3.32 -2.02 0.13 116.42 120.09 3bg5 h ASP 684 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3bg5 h ASP 684 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3bg5 h ASP 684 CO -0.48 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 178.71 3bg5 n GLN 685 N -4.39 0.25 0.03 3.56 7.27 -0.88 -3.29 117.38 119.94 3bg5 n GLN 685 Ca 0.01 0.29 0.13 0.00 0.07 0.00 0.00 57.00 57.50 3bg5 n GLN 685 Cb 0.26 -1.84 0.42 0.00 2.41 0.00 0.00 30.24 31.49 3bg5 n GLN 685 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3bg5 n MET 686 N -2.29 0.10 -0.05 3.69 2.81 0.46 -4.34 117.12 117.50 3bg5 n MET 686 Ca 0.04 0.06 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 3bg5 n MET 686 Cb 0.37 -1.60 -0.07 0.00 -0.71 0.00 0.00 33.22 31.21 3bg5 n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3bg5 h LYS 687 N 0.00 0.34 0.02 0.03 1.57 -1.61 -2.21 116.57 114.72 3bg5 h LYS 687 Ca 0.00 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3bg5 h LYS 687 Cb 0.59 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 3bg5 h LYS 687 CO 0.00 0.76 -0.48 0.28 -0.57 0.00 0.00 179.45 179.44 3bg5 h VAL 688 N -0.06 0.07 -0.43 0.50 2.07 -1.81 -1.09 116.25 115.51 3bg5 h VAL 688 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3bg5 h VAL 688 Cb 0.72 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3bg5 h VAL 688 CO 0.04 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.79 3bg5 h ALA 689 N -0.25 0.51 -0.14 1.67 0.00 -1.81 -2.10 119.26 117.14 3bg5 h ALA 689 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3bg5 h ALA 689 Cb 0.70 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3bg5 h ALA 689 CO -0.33 -0.23 -0.23 -0.97 0.00 0.00 0.00 179.25 177.49 3bg5 h ASN 690 N 0.33 -0.72 -0.56 0.00 -1.24 -0.95 -1.26 115.58 111.17 3bg5 h ASN 690 Ca 0.20 0.12 0.03 0.00 0.71 0.00 0.00 56.30 57.36 3bg5 h ASN 690 Cb 0.18 0.32 -0.04 0.00 0.73 0.00 0.00 38.32 39.51 3bg5 h ASN 690 CO -0.20 -0.28 0.33 -0.33 -1.29 0.00 0.00 177.43 175.66 3bg5 h GLU 691 N -0.29 0.63 -0.85 6.67 5.08 -1.06 0.60 114.58 125.36 3bg5 h GLU 691 Ca 0.10 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3bg5 h GLU 691 Cb 0.44 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3bg5 h GLU 691 CO -0.31 0.41 0.55 0.00 -1.00 0.00 0.00 179.01 178.67 3bg5 h ALA 692 N 1.26 1.70 -0.13 3.43 0.00 -0.79 0.34 119.26 125.06 3bg5 h ALA 692 Ca 0.23 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 3bg5 h ALA 692 Cb 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3bg5 h ALA 692 CO -0.12 0.12 -0.76 0.28 0.00 0.00 0.00 179.25 178.77 3bg5 h VAL 693 N 0.81 1.29 -0.26 0.00 2.07 -0.26 -2.79 116.25 117.11 3bg5 h VAL 693 Ca 0.40 -1.97 0.04 0.00 0.82 0.00 0.00 66.70 65.99 3bg5 h VAL 693 Cb 0.45 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 3bg5 h VAL 693 CO -0.16 0.62 -0.01 1.56 0.02 0.00 0.00 177.57 179.60 3bg5 h GLN 694 N 0.47 0.06 -0.77 1.57 1.08 0.24 -2.45 115.11 115.31 3bg5 h GLN 694 Ca -0.06 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.20 3bg5 h GLN 694 Cb 1.40 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.77 3bg5 h GLN 694 CO 0.16 0.04 0.51 0.93 -0.95 0.00 0.00 178.83 179.52 3bg5 h GLU 695 N 0.07 0.82 -0.00 1.46 5.08 -1.00 -1.42 114.58 119.58 3bg5 h GLU 695 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3bg5 h GLU 695 Cb 0.16 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3bg5 h GLU 695 CO -0.22 0.54 -0.01 0.00 -1.00 0.00 0.00 179.01 178.33 3bg5 n ALA 696 N -2.43 2.65 -2.26 3.43 0.00 -0.95 -4.90 120.51 116.04 3bg5 n ALA 696 Ca 0.11 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 3bg5 n ALA 696 Cb 0.20 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 3bg5 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 697 N 1.08 -0.19 0.22 0.00 0.00 -0.54 -5.02 105.19 100.75 3bg5 n GLY 697 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 3bg5 n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bg5 n LYS 698 N -2.48 1.22 -3.44 1.61 4.76 -1.11 -4.54 118.16 114.18 3bg5 n LYS 698 Ca -0.18 -0.19 -0.42 0.00 -2.87 0.00 0.00 58.31 54.64 3bg5 n LYS 698 Cb 0.63 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.73 3bg5 n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bg5 s ILE 699 N 0.30 5.22 -0.26 -0.18 1.01 0.34 -4.69 121.20 122.94 3bg5 s ILE 699 Ca 0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3bg5 s ILE 699 Cb -0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3bg5 s ILE 699 CO 0.02 -0.27 0.49 -0.55 0.00 0.00 0.00 174.94 174.62 3bg5 s SER 700 N 1.72 6.40 -0.28 3.58 0.15 -1.26 -1.46 113.70 122.54 3bg5 s SER 700 Ca 0.07 0.47 -0.05 0.00 0.70 0.00 0.00 55.95 57.15 3bg5 s SER 700 Cb -0.18 -2.27 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 3bg5 s SER 700 CO 0.11 -0.26 0.03 -0.70 1.20 0.00 0.00 173.24 173.61 3bg5 s GLU 701 N 2.25 2.99 -0.19 5.44 2.12 0.03 -1.12 118.70 130.22 3bg5 s GLU 701 Ca 0.20 -0.90 -0.18 0.00 0.36 0.00 0.00 54.97 54.45 3bg5 s GLU 701 Cb -0.16 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3bg5 s GLU 701 CO 0.09 -0.43 0.48 0.20 -0.54 0.00 0.00 175.26 175.07 3bg5 s GLY 702 N 1.43 2.10 -0.12 -1.50 0.00 0.25 -0.33 107.32 109.15 3bg5 s GLY 702 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 3bg5 s GLY 702 CO -0.00 0.98 -0.07 -1.59 0.00 0.00 0.00 173.10 172.42 3bg5 s THR 703 N 1.46 3.64 -0.20 0.90 2.01 -0.15 -0.68 115.64 122.61 3bg5 s THR 703 Ca 0.23 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 3bg5 s THR 703 Cb -0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3bg5 s THR 703 CO 0.09 0.53 0.10 -0.63 -0.69 0.00 0.00 174.62 174.02 3bg5 s ILE 704 N -0.03 4.98 0.03 1.82 1.01 -0.22 -4.56 121.20 124.24 3bg5 s ILE 704 Ca -0.00 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 3bg5 s ILE 704 Cb -0.13 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 3bg5 s ILE 704 CO 0.03 0.42 0.58 0.00 0.00 0.00 0.00 174.94 175.97 3bg5 s TYR 706 N -0.64 3.56 0.30 0.00 5.04 -0.61 -4.94 117.35 120.07 3bg5 s TYR 706 Ca 0.30 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.77 3bg5 s TYR 706 Cb -0.19 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.72 3bg5 s TYR 706 CO 0.18 0.35 0.27 0.95 -1.34 0.00 0.00 175.55 175.97 3bg5 s THR 707 N 0.01 0.00 0.00 4.34 -4.23 -1.26 -4.64 115.64 109.85 3bg5 s THR 707 Ca 0.21 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3bg5 s THR 707 Cb -0.15 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3bg5 s THR 707 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3bg5 n GLY 708 N -0.54 0.18 3.11 3.99 0.00 -1.26 -4.80 105.19 105.87 3bg5 n GLY 708 Ca 0.05 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.17 3bg5 n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bg5 s ASP 709 N -4.00 -1.33 0.29 1.61 3.68 -1.26 -4.89 116.67 110.78 3bg5 s ASP 709 Ca 0.00 -0.72 0.14 0.00 2.13 0.00 0.00 52.55 54.09 3bg5 s ASP 709 Cb 0.00 1.70 0.74 0.00 -1.45 0.00 0.00 42.92 43.90 3bg5 s ASP 709 CO 0.00 -0.14 1.32 2.30 0.13 0.00 0.00 175.17 178.78 3bg5 n ILE 710 N 4.22 0.76 0.49 4.11 -5.35 -1.26 0.20 119.36 122.52 3bg5 n ILE 710 Ca 0.10 0.72 0.13 0.00 -0.27 0.00 0.00 62.75 63.43 3bg5 n ILE 710 Cb 0.58 -1.72 0.41 0.00 -1.74 0.00 0.00 39.64 37.17 3bg5 n ILE 710 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3bg5 h LEU 711 N 0.00 0.00 -7.60 7.28 3.38 -1.96 -3.43 115.31 112.98 3bg5 h LEU 711 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3bg5 h LEU 711 Cb 0.46 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.82 3bg5 h LEU 711 CO 0.00 0.00 -0.76 0.21 0.09 0.00 0.00 178.44 177.98 3bg5 s ASN 712 N -4.82 4.22 0.30 -0.43 3.84 0.13 -4.99 114.94 113.19 3bg5 s ASN 712 Ca 0.08 -1.56 0.25 0.00 0.21 0.00 0.00 52.86 51.84 3bg5 s ASN 712 Cb 0.10 -1.30 1.05 0.00 -0.55 0.00 0.00 41.25 40.55 3bg5 s ASN 712 CO 0.56 -0.30 1.75 -0.65 -2.79 0.00 0.00 177.10 175.67 3bg5 h PRO 713 N 7.86 0.00 0.00 0.43 0.11 -1.83 -2.41 132.00 136.16 3bg5 h PRO 713 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3bg5 h PRO 713 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3bg5 h PRO 713 CO 0.46 0.00 -0.41 -1.91 -0.21 0.00 0.00 178.00 175.93 3bg5 n GLU 714 N -2.35 0.02 0.26 1.05 2.13 -1.26 -4.23 120.64 116.25 3bg5 n GLU 714 Ca 0.02 0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.74 3bg5 n GLU 714 Cb 0.23 -1.51 -0.05 0.00 0.27 0.00 0.00 31.44 30.38 3bg5 n GLU 714 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3bg5 h ARG 715 N 0.00 -0.68 -3.24 5.31 1.12 -1.75 -3.47 114.38 111.67 3bg5 h ARG 715 Ca 0.00 0.05 -0.13 0.00 -1.11 0.00 0.00 59.98 58.79 3bg5 h ARG 715 Cb 0.52 0.15 -0.20 0.00 -0.01 0.00 0.00 29.97 30.43 3bg5 h ARG 715 CO 0.00 -0.45 -0.37 0.45 -3.11 0.00 0.00 179.97 176.49 3bg5 s SER 716 N -4.46 -0.10 0.05 -3.80 0.15 -1.26 -5.01 113.70 99.26 3bg5 s SER 716 Ca -0.10 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.76 3bg5 s SER 716 Cb 0.01 0.27 0.36 0.00 -1.71 0.00 0.00 66.02 64.96 3bg5 s SER 716 CO 0.31 -0.41 1.31 0.59 1.20 0.00 0.00 173.24 176.24 3bg5 n ASN 717 N 1.39 0.59 -0.08 5.45 4.13 -1.26 -4.53 115.26 120.95 3bg5 n ASN 717 Ca -0.22 -0.13 -0.08 0.00 1.68 0.00 0.00 54.58 55.83 3bg5 n ASN 717 Cb 0.56 0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 39.09 3bg5 n ASN 717 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3bg5 n ILE 717 N -1.78 1.46 -2.52 2.41 -0.00 -1.26 -4.77 119.36 112.89 3bg5 n ILE 717 Ca 0.04 0.15 -0.41 0.00 -0.00 0.00 0.00 62.75 62.53 3bg5 n ILE 717 Cb 0.39 -2.33 -0.02 0.00 -0.00 0.00 0.00 39.64 37.68 3bg5 n ILE 717 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 3bg5 s TYR 718 N -2.47 2.60 0.24 1.39 1.51 -1.26 -4.56 117.35 114.79 3bg5 s TYR 718 Ca -0.21 -1.11 0.10 0.00 -1.01 0.00 0.00 57.07 54.84 3bg5 s TYR 718 Cb 0.03 -4.66 -0.05 0.00 -0.11 0.00 0.00 41.96 37.17 3bg5 s TYR 718 CO 0.32 -1.82 -0.18 0.99 -1.11 0.00 0.00 175.55 173.75 3bg5 s THR 719 N 5.14 2.18 0.24 -0.71 2.01 -1.26 -4.54 115.64 118.71 3bg5 s THR 719 Ca 0.52 -2.29 -0.08 0.00 0.31 0.00 0.00 61.69 60.16 3bg5 s THR 719 Cb 0.02 -2.17 0.27 0.00 0.01 0.00 0.00 72.50 70.62 3bg5 s THR 719 CO 0.01 -0.44 1.64 0.25 -0.69 0.00 0.00 174.62 175.39 3bg5 h LEU 720 N 2.49 -0.34 -1.18 4.42 5.85 -1.90 -0.16 115.31 124.48 3bg5 h LEU 720 Ca -0.40 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3bg5 h LEU 720 Cb 1.24 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 3bg5 h LEU 720 CO 0.59 -0.17 0.21 -0.08 -0.34 0.00 0.00 178.44 178.66 3bg5 h GLU 721 N 0.10 0.78 -0.32 1.25 4.57 -1.95 -1.14 114.58 117.87 3bg5 h GLU 721 Ca 0.40 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.48 3bg5 h GLU 721 Cb 0.69 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 3bg5 h GLU 721 CO -0.65 0.65 0.16 -0.92 -1.18 0.00 0.00 179.01 177.07 3bg5 h TYR 722 N 0.78 0.29 -0.17 0.92 3.20 -1.30 -0.58 116.97 120.11 3bg5 h TYR 722 Ca 0.19 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 3bg5 h TYR 722 Cb 0.16 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3bg5 h TYR 722 CO 0.01 0.16 -0.52 1.88 -1.64 0.00 0.00 178.16 178.05 3bg5 h TYR 723 N 0.33 0.59 -0.64 -3.82 -1.99 -0.96 -1.17 116.97 109.31 3bg5 h TYR 723 Ca 0.13 -0.20 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 3bg5 h TYR 723 Cb 0.04 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 3bg5 h TYR 723 CO -0.10 0.90 0.23 0.28 -0.00 0.00 0.00 178.16 179.47 3bg5 h VAL 724 N 0.37 1.24 -0.01 -2.88 2.07 -1.13 -0.31 116.25 115.60 3bg5 h VAL 724 Ca 0.01 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3bg5 h VAL 724 Cb 1.04 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3bg5 h VAL 724 CO 0.09 0.31 0.01 0.50 0.02 0.00 0.00 177.57 178.50 3bg5 h LYS 725 N 0.91 0.02 -0.57 1.57 3.64 -0.89 -2.08 116.57 119.17 3bg5 h LYS 725 Ca 0.21 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3bg5 h LYS 725 Cb 0.24 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3bg5 h LYS 725 CO -0.01 0.07 0.35 1.25 -2.27 0.00 0.00 179.45 178.85 3bg5 h LEU 726 N -0.05 0.67 -0.14 5.20 5.85 -1.13 -1.98 115.31 123.73 3bg5 h LEU 726 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3bg5 h LEU 726 Cb 0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3bg5 h LEU 726 CO -0.00 0.51 0.06 0.00 -0.34 0.00 0.00 178.44 178.67 3bg5 h ALA 727 N 1.18 0.19 -0.96 1.25 0.00 -0.95 -0.58 119.26 119.39 3bg5 h ALA 727 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3bg5 h ALA 727 Cb -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3bg5 h ALA 727 CO -0.04 -0.23 0.62 0.87 0.00 0.00 0.00 179.25 180.47 3bg5 h LYS 728 N 0.09 1.17 -0.65 0.00 1.57 -1.33 -0.38 116.57 117.03 3bg5 h LYS 728 Ca 0.05 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3bg5 h LYS 728 Cb 0.16 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3bg5 h LYS 728 CO -0.00 0.77 0.35 1.49 -0.57 0.00 0.00 179.45 181.49 3bg5 h GLU 729 N 1.20 0.92 -0.06 3.15 4.81 -1.03 -1.81 114.58 121.77 3bg5 h GLU 729 Ca 0.38 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3bg5 h GLU 729 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3bg5 h GLU 729 CO -0.12 0.70 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.36 3bg5 h LEU 730 N 0.89 0.14 -0.25 1.64 3.38 -0.56 -2.68 115.31 117.88 3bg5 h LEU 730 Ca 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3bg5 h LEU 730 Cb 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3bg5 h LEU 730 CO -0.03 0.55 0.10 -0.08 0.09 0.00 0.00 178.44 179.07 3bg5 h GLU 731 N 0.11 0.37 0.00 1.13 4.81 -0.69 -2.64 114.58 117.67 3bg5 h GLU 731 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3bg5 h GLU 731 Cb 0.81 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3bg5 h GLU 731 CO 0.06 0.40 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 3bg5 h ARG 732 N 0.25 0.00 0.00 1.92 3.08 -1.23 -1.26 114.38 117.14 3bg5 h ARG 732 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3bg5 h ARG 732 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3bg5 h ARG 732 CO -0.01 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.82 3bg5 h GLU 733 N 0.00 0.00 0.00 0.04 4.39 -1.12 -3.48 114.58 114.41 3bg5 h GLU 733 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bg5 h GLU 733 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3bg5 h GLU 733 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3bg5 n GLY 734 N 1.06 1.26 3.77 -3.84 0.00 -0.47 -5.03 105.19 101.94 3bg5 n GLY 734 Ca 0.04 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3bg5 n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 735 N -2.00 3.37 -0.09 1.61 0.40 -1.19 -4.94 117.98 115.14 3bg5 s PHE 735 Ca 0.00 1.65 0.14 0.00 -0.60 0.00 0.00 56.93 58.12 3bg5 s PHE 735 Cb 0.00 -3.26 -0.06 0.00 0.51 0.00 0.00 43.02 40.21 3bg5 s PHE 735 CO 0.00 -0.75 1.19 0.45 0.70 0.00 0.00 175.22 176.81 3bg5 h HIS 736 N 3.14 0.00 -3.73 0.36 3.86 -1.49 -3.46 115.15 113.83 3bg5 h HIS 736 Ca -0.48 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.47 3bg5 h HIS 736 Cb 1.22 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.40 3bg5 h HIS 736 CO 0.58 0.64 -0.73 0.42 0.86 0.00 0.00 177.93 179.70 3bg5 s ILE 737 N -2.88 0.08 -0.21 2.45 1.01 -1.18 -4.32 121.20 116.14 3bg5 s ILE 737 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 3bg5 s ILE 737 Cb 0.08 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.43 3bg5 s ILE 737 CO 0.78 0.04 0.42 -0.22 0.00 0.00 0.00 174.94 175.96 3bg5 s LEU 738 N 0.14 4.14 -0.02 2.97 2.96 -0.40 -0.58 118.68 127.88 3bg5 s LEU 738 Ca -0.01 0.52 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 3bg5 s LEU 738 Cb -0.02 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3bg5 s LEU 738 CO -0.00 -0.11 -0.12 0.00 -1.32 0.00 0.00 176.35 174.79 3bg5 s ALA 739 N 1.46 2.78 -0.33 5.97 0.00 0.14 -0.05 121.76 131.73 3bg5 s ALA 739 Ca 0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 3bg5 s ALA 739 Cb -0.15 -1.00 0.05 0.00 0.00 0.00 0.00 23.12 22.02 3bg5 s ALA 739 CO 0.08 0.57 0.07 0.42 0.00 0.00 0.00 175.76 176.91 3bg5 s ILE 740 N -0.84 3.42 -0.46 0.00 -1.09 -0.57 -1.06 121.20 120.61 3bg5 s ILE 740 Ca 0.13 -1.31 -0.17 0.00 -2.23 0.00 0.00 60.65 57.08 3bg5 s ILE 740 Cb -0.11 -2.98 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3bg5 s ILE 740 CO 0.03 -0.19 0.46 -0.75 -1.23 0.00 0.00 174.94 173.26 3bg5 s LYS 741 N 1.32 3.06 -1.10 2.79 2.20 0.01 -0.61 119.74 127.40 3bg5 s LYS 741 Ca -0.02 -0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 54.53 3bg5 s LYS 741 Cb -0.20 -4.05 0.29 0.00 -1.51 0.00 0.00 37.83 32.36 3bg5 s LYS 741 CO 0.01 -0.98 1.25 -3.47 -0.36 0.00 0.00 175.35 171.79 3bg5 n ASP 742 N 5.58 5.84 0.29 1.43 2.03 0.93 -1.57 116.55 131.09 3bg5 n ASP 742 Ca -0.09 -3.18 0.18 0.00 0.52 0.00 0.00 54.79 52.23 3bg5 n ASP 742 Cb 0.46 -1.34 0.87 0.00 -0.72 0.00 0.00 41.12 40.39 3bg5 n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bg5 h MET 743 N 6.19 0.00 -0.02 -0.67 -0.00 -1.82 -2.34 114.93 116.28 3bg5 h MET 743 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 3bg5 h MET 743 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 3bg5 h MET 743 CO 1.13 0.03 -0.12 0.00 -0.00 0.00 0.00 176.91 177.95 3bg5 n ALA 744 N -2.12 2.71 -3.05 -3.00 0.00 -1.26 -2.92 120.51 110.87 3bg5 n ALA 744 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 3bg5 n ALA 744 Cb 0.22 -0.52 0.07 0.00 0.00 0.00 0.00 19.45 19.22 3bg5 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 745 N 0.95 -0.25 0.00 0.00 0.00 -0.88 -4.83 105.19 100.18 3bg5 n GLY 745 Ca 0.08 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3bg5 n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 746 N -3.30 0.57 -4.57 0.99 4.77 -1.26 -4.63 117.00 109.57 3bg5 n LEU 746 Ca -0.19 -0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.13 3bg5 n LEU 746 Cb 0.62 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 3bg5 n LEU 746 CO 0.46 0.14 1.59 -0.22 -1.33 0.00 0.00 177.39 178.03 3bg5 s LEU 747 N -3.46 3.37 0.42 2.23 2.96 -1.26 -4.94 118.68 118.00 3bg5 s LEU 747 Ca 0.02 -1.61 -0.24 0.00 -0.22 0.00 0.00 54.13 52.08 3bg5 s LEU 747 Cb 0.14 -2.58 -0.11 0.00 0.50 0.00 0.00 46.19 44.15 3bg5 s LEU 747 CO 0.81 -2.20 0.98 0.29 -1.32 0.00 0.00 176.35 174.91 3bg5 n LYS 748 N 8.56 1.29 -0.38 1.98 5.02 -1.26 -4.62 118.16 128.76 3bg5 n LYS 748 Ca 0.43 0.46 -0.04 0.00 -2.02 0.00 0.00 58.31 57.14 3bg5 n LYS 748 Cb 0.47 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.47 3bg5 n LYS 748 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3bg5 n PRO 749 N 0.15 -0.29 -0.14 1.97 -0.02 -1.26 -1.11 135.00 134.30 3bg5 n PRO 749 Ca 0.10 1.44 -0.08 0.00 -2.02 0.00 0.00 63.50 62.94 3bg5 n PRO 749 Cb 0.39 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3bg5 n PRO 749 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3bg5 h LYS 750 N 0.00 0.58 -0.93 -0.52 3.11 -1.93 -1.99 116.57 114.89 3bg5 h LYS 750 Ca 0.26 -0.05 0.17 0.00 -2.81 0.00 0.00 60.65 58.21 3bg5 h LYS 750 Cb 0.50 -0.12 -0.10 0.00 -1.00 0.00 0.00 32.23 31.51 3bg5 h LYS 750 CO -0.92 0.44 0.52 0.00 -2.81 0.00 0.00 179.45 176.68 3bg5 h ALA 751 N 1.11 1.46 -0.70 5.00 0.00 -1.46 -0.50 119.26 124.17 3bg5 h ALA 751 Ca 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3bg5 h ALA 751 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3bg5 h ALA 751 CO -0.03 -0.06 0.38 0.00 0.00 0.00 0.00 179.25 179.55 3bg5 h ALA 752 N 1.60 0.90 0.25 0.00 0.00 -0.48 0.27 119.26 121.80 3bg5 h ALA 752 Ca 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3bg5 h ALA 752 Cb 0.76 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3bg5 h ALA 752 CO -0.37 0.42 -0.12 -0.92 0.00 0.00 0.00 179.25 178.25 3bg5 h TYR 753 N 0.97 -0.32 -0.21 0.00 3.20 -0.72 -1.01 116.97 118.87 3bg5 h TYR 753 Ca 0.25 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3bg5 h TYR 753 Cb 0.04 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3bg5 h TYR 753 CO -0.00 -0.06 -0.03 0.93 -1.64 0.00 0.00 178.16 177.35 3bg5 h GLU 754 N -0.54 0.02 0.13 1.82 5.08 -1.06 -2.25 114.58 117.78 3bg5 h GLU 754 Ca -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3bg5 h GLU 754 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3bg5 h GLU 754 CO 0.06 0.02 -0.06 1.25 -1.00 0.00 0.00 179.01 179.27 3bg5 h LEU 755 N 0.02 -0.15 -0.45 1.33 5.85 -0.39 -2.43 115.31 119.09 3bg5 h LEU 755 Ca 0.10 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3bg5 h LEU 755 Cb 0.15 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3bg5 h LEU 755 CO -0.20 0.08 0.27 0.40 -0.34 0.00 0.00 178.44 178.64 3bg5 h ILE 756 N -0.38 1.15 -0.51 4.05 1.08 -1.23 -2.16 117.51 119.51 3bg5 h ILE 756 Ca -0.02 -0.36 0.07 0.00 -0.39 0.00 0.00 64.86 64.17 3bg5 h ILE 756 Cb 0.31 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 3bg5 h ILE 756 CO 0.03 0.15 0.17 1.23 -0.69 0.00 0.00 178.15 179.04 3bg5 h GLY 757 N 0.60 0.67 0.93 5.37 0.00 -1.39 0.39 103.07 109.64 3bg5 h GLY 757 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3bg5 h GLY 757 CO -0.03 -0.01 0.14 0.83 0.00 0.00 0.00 176.54 177.48 3bg5 h GLU 758 N 0.34 0.49 -0.14 4.80 4.39 -1.30 -2.45 114.58 120.71 3bg5 h GLU 758 Ca 0.25 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 3bg5 h GLU 758 Cb 0.28 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3bg5 h GLU 758 CO -0.26 0.48 0.05 -0.07 -1.16 0.00 0.00 179.01 178.04 3bg5 h LEU 759 N 0.40 0.20 -1.04 1.33 3.38 -1.01 -0.59 115.31 117.97 3bg5 h LEU 759 Ca 0.11 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.05 3bg5 h LEU 759 Cb 0.16 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 3bg5 h LEU 759 CO -0.01 0.34 0.62 0.11 0.09 0.00 0.00 178.44 179.59 3bg5 h LYS 760 N 0.05 0.81 0.00 1.13 1.79 -0.92 0.13 116.57 119.55 3bg5 h LYS 760 Ca 0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3bg5 h LYS 760 Cb 0.21 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3bg5 h LYS 760 CO -0.00 0.53 0.00 1.03 -1.08 0.00 0.00 179.45 179.93 3bg5 h SER 761 N 0.83 0.00 0.10 0.86 0.87 -1.15 -3.36 113.55 111.70 3bg5 h SER 761 Ca 0.54 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.75 3bg5 h SER 761 Cb 0.76 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.66 3bg5 h SER 761 CO -0.33 0.00 -2.26 0.00 -0.53 0.00 0.00 176.83 173.72 3bg5 n ALA 762 N -2.02 1.48 -2.40 6.23 0.00 0.22 -4.99 120.51 119.04 3bg5 n ALA 762 Ca 0.04 -1.19 -0.19 0.00 0.00 0.00 0.00 53.44 52.10 3bg5 n ALA 762 Cb 0.47 -0.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 3bg5 n ALA 762 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3bg5 s VAL 763 N -2.51 1.57 -2.59 0.00 -7.23 0.13 -4.92 120.40 104.85 3bg5 s VAL 763 Ca -0.11 -1.99 0.24 0.00 -1.81 0.00 0.00 61.98 58.31 3bg5 s VAL 763 Cb 0.07 -1.83 0.39 0.00 0.56 0.00 0.00 36.38 35.57 3bg5 s VAL 763 CO 0.81 -0.50 1.48 0.47 -0.31 0.00 0.00 175.10 177.05 3bg5 n ASP 765 N 0.05 2.43 -4.77 4.85 10.43 -1.26 -4.63 116.55 123.66 3bg5 n ASP 765 Ca -0.12 -1.81 -0.39 0.00 2.57 0.00 0.00 54.79 55.04 3bg5 n ASP 765 Cb 0.59 -0.08 -0.04 0.00 1.84 0.00 0.00 41.12 43.43 3bg5 n ASP 765 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3bg5 s LEU 766 N -1.79 4.42 0.43 0.64 1.02 -1.26 -5.03 118.68 117.11 3bg5 s LEU 766 Ca 0.34 2.24 -0.24 0.00 0.02 0.00 0.00 54.13 56.49 3bg5 s LEU 766 Cb 0.20 -3.80 -0.08 0.00 0.02 0.00 0.00 46.19 42.54 3bg5 s LEU 766 CO 0.30 -0.29 1.21 -2.16 0.02 0.00 0.00 176.35 175.43 3bg5 s PRO 767 N -1.79 3.87 -0.17 1.29 0.04 -1.26 -4.79 135.00 132.20 3bg5 s PRO 767 Ca 0.49 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 3bg5 s PRO 767 Cb -0.30 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 3bg5 s PRO 767 CO 0.38 -0.49 -0.00 0.42 0.04 0.00 0.00 177.00 177.35 3bg5 s ILE 768 N -1.42 4.20 -0.29 0.56 1.01 -1.26 -1.28 121.20 122.73 3bg5 s ILE 768 Ca 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 3bg5 s ILE 768 Cb -0.32 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.33 3bg5 s ILE 768 CO 0.40 0.48 -0.03 -2.28 0.00 0.00 0.00 174.94 173.50 3bg5 s HIS 769 N 0.41 3.24 -0.17 3.97 2.46 0.93 -2.09 115.29 124.05 3bg5 s HIS 769 Ca -0.01 -1.95 -0.11 0.00 0.47 0.00 0.00 55.06 53.46 3bg5 s HIS 769 Cb -0.14 -2.06 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 3bg5 s HIS 769 CO 0.02 -0.81 0.19 -1.17 -2.47 0.00 0.00 174.74 170.49 3bg5 s LEU 770 N 1.22 4.26 -0.12 8.88 2.96 -0.03 -1.51 118.68 134.35 3bg5 s LEU 770 Ca -0.06 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 3bg5 s LEU 770 Cb -0.19 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3bg5 s LEU 770 CO -0.02 0.21 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.83 3bg5 s HIS 771 N 0.08 1.71 0.21 5.38 5.65 0.22 -1.66 115.29 126.89 3bg5 s HIS 771 Ca 0.12 -0.88 0.00 0.00 0.25 0.00 0.00 55.06 54.55 3bg5 s HIS 771 Cb -0.12 -1.34 -0.04 0.00 -1.18 0.00 0.00 32.58 29.89 3bg5 s HIS 771 CO 0.01 -0.55 0.10 -0.08 -0.65 0.00 0.00 174.74 173.57 3bg5 s THR 772 N 1.56 0.28 0.20 0.89 -1.32 -1.26 -0.05 115.64 115.94 3bg5 s THR 772 Ca 0.04 -1.99 0.09 0.00 -1.21 0.00 0.00 61.69 58.62 3bg5 s THR 772 Cb -0.13 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3bg5 s THR 772 CO -0.08 -0.08 -0.09 -1.00 -2.21 0.00 0.00 174.62 171.15 3bg5 s HIS 773 N -3.95 2.61 -0.40 9.09 3.76 -1.23 -4.40 115.29 120.76 3bg5 s HIS 773 Ca 0.36 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.09 3bg5 s HIS 773 Cb 0.07 -1.25 0.53 0.00 1.11 0.00 0.00 32.58 33.05 3bg5 s HIS 773 CO 0.11 0.54 1.65 -3.47 -0.85 0.00 0.00 174.74 172.72 3bg5 n ASP 774 N -0.14 4.08 0.22 1.40 4.64 -0.46 -4.42 116.55 121.87 3bg5 n ASP 774 Ca -0.10 -3.75 0.15 0.00 -1.38 0.00 0.00 54.79 49.71 3bg5 n ASP 774 Cb 0.56 -0.71 0.51 0.00 -1.04 0.00 0.00 41.12 40.44 3bg5 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3bg5 h THR 775 N 1.16 0.00 -0.00 5.18 1.03 -1.26 -1.82 112.91 117.20 3bg5 h THR 775 Ca 0.42 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 3bg5 h THR 775 Cb 1.78 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 70.39 3bg5 h THR 775 CO 0.84 0.00 -0.56 -1.54 -0.01 0.00 0.00 175.52 174.25 3bg5 n SER 776 N -2.87 0.58 0.00 0.00 3.41 -1.26 -0.26 113.62 113.23 3bg5 n SER 776 Ca 0.02 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3bg5 n SER 776 Cb 0.36 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 3bg5 n SER 776 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bg5 n GLY 777 N 1.50 0.86 0.90 5.00 0.00 -0.69 -4.45 105.19 108.31 3bg5 n GLY 777 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3bg5 n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bg5 n ASN 778 N 0.00 2.87 -0.33 1.61 5.03 -1.26 -4.67 115.26 118.50 3bg5 n ASN 778 Ca 0.00 -1.93 -0.01 0.00 0.87 0.00 0.00 54.58 53.50 3bg5 n ASN 778 Cb 0.00 0.06 0.05 0.00 -1.02 0.00 0.00 39.78 38.87 3bg5 n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3bg5 h GLY 779 N 4.71 0.12 0.98 7.41 0.00 -1.84 -0.70 103.07 113.75 3bg5 h GLY 779 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 3bg5 h GLY 779 CO 0.00 -0.23 0.24 1.41 0.00 0.00 0.00 176.54 177.96 3bg5 h LEU 780 N -0.04 0.51 -0.82 3.11 3.38 -1.95 -1.91 115.31 117.59 3bg5 h LEU 780 Ca 0.33 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.31 3bg5 h LEU 780 Cb 0.60 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3bg5 h LEU 780 CO -0.90 0.44 0.49 0.25 0.09 0.00 0.00 178.44 178.80 3bg5 h LEU 781 N 0.55 0.74 -0.34 1.67 6.46 -1.68 -0.31 115.31 122.41 3bg5 h LEU 781 Ca 0.15 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3bg5 h LEU 781 Cb 0.03 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 3bg5 h LEU 781 CO -0.03 0.46 0.22 0.74 -0.62 0.00 0.00 178.44 179.21 3bg5 h THR 782 N 0.87 1.08 -0.40 1.05 2.02 -0.70 -0.98 112.91 115.84 3bg5 h THR 782 Ca 0.37 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 3bg5 h THR 782 Cb 0.24 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3bg5 h THR 782 CO -0.20 0.08 0.20 1.88 0.37 0.00 0.00 175.52 177.85 3bg5 h TYR 783 N 0.45 0.58 -0.29 3.16 0.99 -0.94 -0.30 116.97 120.62 3bg5 h TYR 783 Ca 0.12 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.89 3bg5 h TYR 783 Cb -0.04 -0.18 -0.06 0.00 1.00 0.00 0.00 36.73 37.45 3bg5 h TYR 783 CO -0.06 0.47 -0.11 -0.22 -0.00 0.00 0.00 178.16 178.25 3bg5 h LYS 784 N 0.51 -0.05 -0.87 4.88 3.11 -0.74 0.15 116.57 123.57 3bg5 h LYS 784 Ca 0.14 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 3bg5 h LYS 784 Cb 0.11 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 3bg5 h LYS 784 CO -0.02 -0.03 0.43 1.96 -2.81 0.00 0.00 179.45 178.98 3bg5 h GLN 785 N -0.05 1.24 -0.68 1.90 1.08 -1.06 -1.89 115.11 115.65 3bg5 h GLN 785 Ca 0.14 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3bg5 h GLN 785 Cb 0.27 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3bg5 h GLN 785 CO -0.32 0.94 0.36 0.00 -0.95 0.00 0.00 178.83 178.86 3bg5 h ALA 786 N 1.24 1.35 -0.36 3.87 0.00 -0.16 -2.15 119.26 123.04 3bg5 h ALA 786 Ca 0.30 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3bg5 h ALA 786 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3bg5 h ALA 786 CO -0.04 0.52 -0.24 0.82 0.00 0.00 0.00 179.25 180.31 3bg5 h ILE 787 N 0.95 1.28 -0.27 0.00 2.04 -0.36 -1.13 117.51 120.03 3bg5 h ILE 787 Ca 0.24 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3bg5 h ILE 787 Cb 0.04 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3bg5 h ILE 787 CO -0.04 0.46 0.18 0.44 0.00 0.00 0.00 178.15 179.19 3bg5 h ASP 788 N 0.60 0.31 0.78 1.72 3.45 -1.04 -2.06 116.42 120.18 3bg5 h ASP 788 Ca 0.07 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3bg5 h ASP 788 Cb 0.80 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 3bg5 h ASP 788 CO 0.07 0.23 -0.23 0.00 -1.57 0.00 0.00 179.24 177.73 3bg5 n ALA 789 N -2.50 2.89 0.00 3.45 0.00 -0.84 -4.94 120.51 118.58 3bg5 n ALA 789 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3bg5 n ALA 789 Cb 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3bg5 n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 790 N 1.50 1.39 3.71 0.00 0.00 -0.77 -4.22 105.19 106.80 3bg5 n GLY 790 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3bg5 n GLY 790 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3bg5 n VAL 791 N -1.25 3.72 -0.10 1.61 3.14 -0.48 -4.94 118.33 120.03 3bg5 n VAL 791 Ca 0.00 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.65 3bg5 n VAL 791 Cb 0.00 -1.55 -0.11 0.00 -1.06 0.00 0.00 33.84 31.12 3bg5 n VAL 791 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3bg5 n ASP 792 N -0.85 1.89 -4.19 6.55 8.00 -0.95 -4.84 116.55 122.16 3bg5 n ASP 792 Ca 0.11 0.40 -0.21 0.00 0.71 0.00 0.00 54.79 55.80 3bg5 n ASP 792 Cb 0.44 -0.94 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 3bg5 n ASP 792 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bg5 s ILE 793 N -2.39 1.29 0.11 0.53 1.01 -0.89 -1.76 121.20 119.10 3bg5 s ILE 793 Ca -0.30 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.22 3bg5 s ILE 793 Cb 0.07 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 3bg5 s ILE 793 CO 0.59 -0.03 -0.14 0.27 0.00 0.00 0.00 174.94 175.63 3bg5 s ILE 794 N -0.99 1.26 -0.43 2.92 -4.36 -0.75 -0.85 121.20 118.00 3bg5 s ILE 794 Ca 0.02 -1.63 -0.21 0.00 -0.26 0.00 0.00 60.65 58.57 3bg5 s ILE 794 Cb -0.09 -1.43 0.02 0.00 1.25 0.00 0.00 42.46 42.21 3bg5 s ILE 794 CO 0.02 -0.39 0.69 -1.81 0.24 0.00 0.00 174.94 173.69 3bg5 s ASP 795 N -2.31 6.37 0.42 4.36 1.01 -0.66 -0.71 116.67 125.15 3bg5 s ASP 795 Ca 0.06 -0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.22 3bg5 s ASP 795 Cb -0.06 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 3bg5 s ASP 795 CO 0.03 -0.79 0.16 0.42 0.21 0.00 0.00 175.17 175.20 3bg5 s THR 796 N 2.95 2.18 0.12 -1.27 -4.23 0.43 -4.46 115.64 111.36 3bg5 s THR 796 Ca 0.25 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 3bg5 s THR 796 Cb -0.14 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 3bg5 s THR 796 CO 0.19 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 174.19 3bg5 s ALA 797 N -2.64 1.18 0.50 3.99 0.00 -1.08 -0.73 121.76 122.99 3bg5 s ALA 797 Ca 0.38 -1.37 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 3bg5 s ALA 797 Cb 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 3bg5 s ALA 797 CO 0.21 -0.14 1.22 0.08 0.00 0.00 0.00 175.76 177.13 3bg5 s VAL 798 N -3.27 2.78 0.23 0.00 1.01 -1.26 0.26 120.40 120.14 3bg5 s VAL 798 Ca 0.12 0.57 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 3bg5 s VAL 798 Cb 0.03 -3.28 0.25 0.00 0.00 0.00 0.00 36.38 33.37 3bg5 s VAL 798 CO -0.02 -0.02 1.57 0.00 0.00 0.00 0.00 175.10 176.63 3bg5 h ALA 799 N 1.77 0.21 0.00 5.51 0.00 -1.93 0.04 119.26 124.86 3bg5 h ALA 799 Ca -0.50 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3bg5 h ALA 799 Cb 1.27 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.92 3bg5 h ALA 799 CO 0.59 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 3bg5 n SER 800 N -5.49 0.00 -0.36 0.00 3.41 -1.26 -1.49 113.62 108.43 3bg5 n SER 800 Ca 0.09 -0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.61 3bg5 n SER 800 Cb 0.40 -0.21 0.10 0.00 -0.26 0.00 0.00 64.21 64.24 3bg5 n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3bg5 n MET 801 N -1.21 0.86 -4.57 4.33 2.00 -0.04 -4.75 117.12 113.74 3bg5 n MET 801 Ca 0.11 -2.18 -0.31 0.00 0.00 0.00 0.00 57.70 55.32 3bg5 n MET 801 Cb 0.13 -1.12 -0.07 0.00 0.00 0.00 0.00 33.22 32.16 3bg5 n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3bg5 s SER 802 N -2.33 4.21 0.00 7.83 1.04 -0.56 -4.69 113.70 119.20 3bg5 s SER 802 Ca 0.24 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.14 3bg5 s SER 802 Cb 0.22 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3bg5 s SER 802 CO -0.01 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3bg5 n GLY 803 N -1.32 -1.17 7.00 7.32 0.00 -0.55 -4.83 105.19 111.65 3bg5 n GLY 803 Ca -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3bg5 n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 804 N -1.74 0.00 0.00 0.99 4.77 -1.20 -1.44 117.00 118.38 3bg5 n LEU 804 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3bg5 n LEU 804 Cb 0.00 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 3bg5 n LEU 804 CO 0.00 0.00 0.73 0.35 -1.33 0.00 0.00 177.39 177.14 3bg5 n THR 805 N 0.00 0.36 -2.23 -5.08 -2.24 -1.26 -0.84 114.28 102.99 3bg5 n THR 805 Ca 0.00 0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 3bg5 n THR 805 Cb 0.00 -0.82 0.05 0.00 -2.10 0.00 0.00 70.33 67.47 3bg5 n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bg5 n SER 806 N -1.20 0.46 -4.76 3.42 2.88 -0.52 -4.60 113.62 109.31 3bg5 n SER 806 Ca 0.09 -1.42 -0.33 0.00 -1.33 0.00 0.00 58.87 55.89 3bg5 n SER 806 Cb 0.11 -0.29 0.06 0.00 -0.75 0.00 0.00 64.21 63.35 3bg5 n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3bg5 s GLN 807 N -3.60 2.58 0.53 -1.46 1.11 -1.26 -1.35 119.66 116.21 3bg5 s GLN 807 Ca 0.27 1.42 -0.22 0.00 0.01 0.00 0.00 55.36 56.84 3bg5 s GLN 807 Cb -0.01 -1.92 -0.05 0.00 -1.01 0.00 0.00 33.01 30.01 3bg5 s GLN 807 CO 0.18 -1.43 1.37 -2.14 0.01 0.00 0.00 175.29 173.29 3bg5 s PRO 808 N -4.18 3.20 0.10 2.91 0.02 -1.26 -1.48 135.00 134.30 3bg5 s PRO 808 Ca 0.67 2.27 -0.31 0.00 0.02 0.00 0.00 61.00 63.66 3bg5 s PRO 808 Cb -0.21 -2.31 -0.10 0.00 0.02 0.00 0.00 34.50 31.90 3bg5 s PRO 808 CO 0.44 -1.15 1.82 0.45 -0.33 0.00 0.00 177.00 178.23 3bg5 s SER 809 N -0.88 6.46 0.14 2.53 0.15 -1.26 -2.63 113.70 118.21 3bg5 s SER 809 Ca 0.70 2.69 -0.14 0.00 0.70 0.00 0.00 55.95 59.91 3bg5 s SER 809 Cb -0.41 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 3bg5 s SER 809 CO 0.49 -0.99 1.61 0.00 1.20 0.00 0.00 173.24 175.55 3bg5 h ALA 810 N 8.90 0.60 -0.50 5.45 0.00 -0.50 -1.73 119.26 131.48 3bg5 h ALA 810 Ca -0.46 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.25 3bg5 h ALA 810 Cb 1.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3bg5 h ALA 810 CO 0.94 0.35 0.24 -0.91 0.00 0.00 0.00 179.25 179.88 3bg5 h ASN 811 N 0.62 0.34 0.01 0.00 2.35 -1.92 -0.69 115.58 116.30 3bg5 h ASN 811 Ca 0.13 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3bg5 h ASN 811 Cb 0.42 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3bg5 h ASN 811 CO 0.01 0.24 -0.01 0.28 -1.65 0.00 0.00 177.43 176.31 3bg5 h SER 812 N 0.48 -0.01 -0.86 5.81 0.02 -1.93 -3.15 113.55 113.91 3bg5 h SER 812 Ca 0.22 -0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3bg5 h SER 812 Cb 0.14 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 3bg5 h SER 812 CO -0.16 0.18 0.51 0.25 -1.14 0.00 0.00 176.83 176.47 3bg5 h LEU 813 N -0.20 0.77 -0.57 5.07 5.85 -0.98 0.19 115.31 125.44 3bg5 h LEU 813 Ca -0.00 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3bg5 h LEU 813 Cb 0.19 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 3bg5 h LEU 813 CO 0.00 0.46 -0.00 0.22 -0.34 0.00 0.00 178.44 178.78 3bg5 h TYR 814 N 0.89 -0.04 0.11 1.25 3.20 -1.10 -2.51 116.97 118.78 3bg5 h TYR 814 Ca 0.40 0.04 -0.27 0.00 3.14 0.00 0.00 58.73 62.04 3bg5 h TYR 814 Cb 0.29 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3bg5 h TYR 814 CO -0.04 -0.15 -1.25 1.88 -1.64 0.00 0.00 178.16 176.96 3bg5 h TYR 815 N 0.12 0.44 -0.58 -3.82 -1.99 -1.19 -3.25 116.97 106.70 3bg5 h TYR 815 Ca 0.30 -0.32 0.16 0.00 2.00 0.00 0.00 58.73 60.87 3bg5 h TYR 815 Cb 0.47 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 3bg5 h TYR 815 CO -0.35 1.26 0.41 0.00 -0.00 0.00 0.00 178.16 179.49 3bg5 h ALA 816 N 0.61 2.51 -0.00 3.88 0.00 -0.34 -2.25 119.26 123.67 3bg5 h ALA 816 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3bg5 h ALA 816 Cb 1.96 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3bg5 h ALA 816 CO 0.19 -0.67 -0.22 1.28 0.00 0.00 0.00 179.25 179.83 3bg5 n LEU 817 N -4.37 0.34 -4.66 0.00 4.77 -0.98 -4.86 117.00 107.24 3bg5 n LEU 817 Ca 0.11 0.17 -0.47 0.00 -0.03 0.00 0.00 56.01 55.78 3bg5 n LEU 817 Cb 0.63 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3bg5 n LEU 817 CO 0.37 0.07 1.20 0.59 -1.33 0.00 0.00 177.39 178.29 3bg5 n ASN 818 N -1.34 2.94 0.00 -1.43 5.03 -0.85 -1.19 115.26 118.42 3bg5 n ASN 818 Ca 0.08 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.61 3bg5 n ASN 818 Cb 0.32 -1.38 0.00 0.00 -1.02 0.00 0.00 39.78 37.70 3bg5 n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 819 N 3.45 2.02 3.93 7.41 0.00 -1.26 -5.03 105.19 115.71 3bg5 n GLY 819 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3bg5 n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 820 N -2.93 3.50 0.29 1.61 0.40 -0.34 -5.02 117.98 115.50 3bg5 s PHE 820 Ca 0.00 0.46 0.31 0.00 -0.60 0.00 0.00 56.93 57.10 3bg5 s PHE 820 Cb 0.00 -1.98 1.46 0.00 0.51 0.00 0.00 43.02 43.01 3bg5 s PHE 820 CO 0.00 0.12 2.04 -1.35 0.70 0.00 0.00 175.22 176.73 3bg5 h PRO 821 N 1.02 0.00 -5.82 0.24 0.11 -1.96 -3.42 132.00 122.16 3bg5 h PRO 821 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 3bg5 h PRO 821 Cb 1.21 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.03 3bg5 h PRO 821 CO 0.63 0.09 -0.82 1.03 -0.21 0.00 0.00 178.00 178.71 3bg5 s ARG 822 N -3.90 2.83 0.01 1.05 0.52 -1.26 -5.08 118.95 113.12 3bg5 s ARG 822 Ca -0.01 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.44 3bg5 s ARG 822 Cb 0.11 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 3bg5 s ARG 822 CO 0.56 0.37 -0.05 -1.58 0.02 0.00 0.00 175.30 174.62 3bg5 s HIS 823 N -0.10 2.93 -0.25 -0.53 5.65 -1.26 -4.90 115.29 116.83 3bg5 s HIS 823 Ca -0.04 -0.02 -0.24 0.00 0.25 0.00 0.00 55.06 55.02 3bg5 s HIS 823 Cb -0.14 -1.61 -0.01 0.00 -1.18 0.00 0.00 32.58 29.64 3bg5 s HIS 823 CO 0.04 0.40 0.78 -1.17 -0.65 0.00 0.00 174.74 174.15 3bg5 s LEU 824 N -1.55 4.08 -0.89 8.88 2.96 -1.26 -1.20 118.68 129.69 3bg5 s LEU 824 Ca 0.18 0.93 -0.24 0.00 -0.22 0.00 0.00 54.13 54.78 3bg5 s LEU 824 Cb -0.11 -3.11 0.05 0.00 0.50 0.00 0.00 46.19 43.52 3bg5 s LEU 824 CO 0.09 -0.49 1.35 -0.60 -1.32 0.00 0.00 176.35 175.38 3bg5 s ARG 825 N 2.78 3.42 0.22 1.98 3.52 -0.43 -4.89 118.95 125.55 3bg5 s ARG 825 Ca 0.33 -0.80 -0.22 0.00 -0.13 0.00 0.00 55.73 54.91 3bg5 s ARG 825 Cb -0.15 -4.84 0.06 0.00 -1.56 0.00 0.00 34.95 28.45 3bg5 s ARG 825 CO 0.08 -2.15 0.91 -0.08 -0.81 0.00 0.00 175.30 173.25 3bg5 s THR 826 N 5.14 0.00 -0.45 4.11 -1.32 -1.26 -4.57 115.64 117.28 3bg5 s THR 826 Ca 0.40 -0.76 -0.14 0.00 -1.21 0.00 0.00 61.69 59.99 3bg5 s THR 826 Cb -0.04 -2.35 0.07 0.00 -1.51 0.00 0.00 72.50 68.67 3bg5 s THR 826 CO 0.00 0.00 0.35 -0.62 -2.21 0.00 0.00 174.62 172.15 3bg5 s ASP 827 N -3.07 6.02 0.04 8.08 3.68 -1.26 -4.99 116.67 125.18 3bg5 s ASP 827 Ca 0.15 -1.33 -0.22 0.00 2.13 0.00 0.00 52.55 53.28 3bg5 s ASP 827 Cb -0.03 -2.13 -0.14 0.00 -1.45 0.00 0.00 42.92 39.16 3bg5 s ASP 827 CO 0.05 -0.60 1.41 0.16 0.13 0.00 0.00 175.17 176.32 3bg5 h ILE 828 N 5.82 1.30 -0.82 4.11 -0.00 -1.97 -2.18 117.51 123.77 3bg5 h ILE 828 Ca -0.27 -1.01 0.20 0.00 -0.00 0.00 0.00 64.86 63.78 3bg5 h ILE 828 Cb 1.10 1.72 -0.14 0.00 -0.00 0.00 0.00 36.82 39.51 3bg5 h ILE 828 CO 0.84 0.29 0.14 -0.08 -0.00 0.00 0.00 178.15 179.34 3bg5 h GLU 829 N -0.08 0.17 -0.09 0.16 4.57 -2.00 0.45 114.58 117.76 3bg5 h GLU 829 Ca 0.03 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 3bg5 h GLU 829 Cb 0.47 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3bg5 h GLU 829 CO 0.01 0.11 -0.31 0.78 -1.18 0.00 0.00 179.01 178.42 3bg5 h GLY 830 N 0.17 0.17 1.56 1.92 0.00 -1.94 -2.68 103.07 102.27 3bg5 h GLY 830 Ca 0.49 -0.14 -0.21 0.00 0.00 0.00 0.00 47.33 47.47 3bg5 h GLY 830 CO -0.65 0.13 -0.86 -0.33 0.00 0.00 0.00 176.54 174.82 3bg5 h MET 831 N 0.14 0.41 -0.76 4.80 2.86 0.44 0.13 114.93 122.95 3bg5 h MET 831 Ca 0.02 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 3bg5 h MET 831 Cb 0.63 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 3bg5 h MET 831 CO 0.05 1.06 0.45 0.93 1.06 0.00 0.00 176.91 180.45 3bg5 h GLU 832 N 0.25 1.03 0.18 1.72 4.39 -0.83 0.44 114.58 121.76 3bg5 h GLU 832 Ca -0.06 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3bg5 h GLU 832 Cb 1.48 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3bg5 h GLU 832 CO 0.15 0.73 -0.08 1.03 -1.16 0.00 0.00 179.01 179.67 3bg5 h SER 833 N 1.05 -0.20 -0.94 1.42 0.87 -1.12 -1.09 113.55 113.53 3bg5 h SER 833 Ca 0.27 -0.30 0.16 0.00 -1.23 0.00 0.00 61.79 60.69 3bg5 h SER 833 Cb -0.03 0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 3bg5 h SER 833 CO -0.05 0.23 0.54 -0.07 -0.53 0.00 0.00 176.83 176.95 3bg5 h LEU 834 N -0.68 0.69 -0.70 2.23 3.38 -0.59 -1.15 115.31 118.50 3bg5 h LEU 834 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3bg5 h LEU 834 Cb 0.49 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3bg5 h LEU 834 CO 0.04 0.28 0.40 -1.28 0.09 0.00 0.00 178.44 177.97 3bg5 h SER 835 N 0.73 0.85 -0.41 -0.43 0.87 0.09 -1.18 113.55 114.07 3bg5 h SER 835 Ca 0.52 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.98 3bg5 h SER 835 Cb 0.74 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3bg5 h SER 835 CO -0.36 0.69 0.18 0.45 -0.53 0.00 0.00 176.83 177.26 3bg5 h HIS 836 N 0.95 0.61 -0.08 2.24 3.86 -0.31 -0.92 115.15 121.50 3bg5 h HIS 836 Ca 0.25 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 3bg5 h HIS 836 Cb 0.01 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.24 3bg5 h HIS 836 CO -0.01 0.52 -0.25 -0.92 0.86 0.00 0.00 177.93 178.13 3bg5 h TYR 837 N 0.52 -0.68 0.00 2.45 3.20 -0.89 -2.71 116.97 118.86 3bg5 h TYR 837 Ca 0.14 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3bg5 h TYR 837 Cb 0.15 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3bg5 h TYR 837 CO -0.01 -0.34 -0.35 -1.49 -1.64 0.00 0.00 178.16 174.33 3bg5 h TRP 838 N -0.35 0.00 -0.47 -3.82 4.06 -1.03 -2.12 115.95 112.22 3bg5 h TRP 838 Ca 0.09 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.06 3bg5 h TRP 838 Cb 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.60 3bg5 h TRP 838 CO -0.33 0.35 0.28 1.03 -3.56 0.00 0.00 178.44 176.22 3bg5 h SER 839 N 0.00 0.45 -0.05 -3.49 0.87 -0.85 0.63 113.55 111.11 3bg5 h SER 839 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3bg5 h SER 839 Cb 0.83 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3bg5 h SER 839 CO 0.05 0.32 -0.05 0.74 -0.53 0.00 0.00 176.83 177.35 3bg5 h THR 840 N 0.56 1.38 -0.99 2.23 2.02 -1.30 -3.15 112.91 113.66 3bg5 h THR 840 Ca 0.19 -1.22 0.10 0.00 0.77 0.00 0.00 66.41 66.25 3bg5 h THR 840 Cb 0.01 2.09 -0.08 0.00 -1.74 0.00 0.00 68.15 68.44 3bg5 h THR 840 CO -0.09 0.33 0.63 0.58 0.37 0.00 0.00 175.52 177.35 3bg5 h VAL 841 N -0.33 0.97 -0.81 3.16 2.07 -1.28 -0.17 116.25 119.86 3bg5 h VAL 841 Ca 0.01 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.28 3bg5 h VAL 841 Cb 0.56 -0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 3bg5 h VAL 841 CO 0.01 0.19 0.53 -0.09 0.02 0.00 0.00 177.57 178.23 3bg5 h ARG 842 N 1.03 0.70 -0.97 1.57 2.43 -0.86 0.78 114.38 119.06 3bg5 h ARG 842 Ca 0.47 -0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.82 3bg5 h ARG 842 Cb 0.39 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.70 3bg5 h ARG 842 CO -0.23 0.46 0.63 1.15 -1.51 0.00 0.00 179.97 180.48 3bg5 h THR 843 N 0.72 0.62 0.00 0.20 2.02 -0.98 0.04 112.91 115.53 3bg5 h THR 843 Ca 0.38 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 3bg5 h THR 843 Cb 0.50 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3bg5 h THR 843 CO -0.15 0.08 -0.00 1.88 0.37 0.00 0.00 175.52 177.69 3bg5 h TYR 844 N 0.42 0.00 -0.40 3.16 0.99 -0.90 -3.12 116.97 117.11 3bg5 h TYR 844 Ca 0.53 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.16 3bg5 h TYR 844 Cb 1.30 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.98 3bg5 h TYR 844 CO -0.00 0.00 0.05 0.66 -0.00 0.00 0.00 178.16 178.87 3bg5 n TYR 845 N -3.10 1.37 -0.09 4.88 4.02 0.00 -4.69 117.16 119.55 3bg5 n TYR 845 Ca -0.01 -1.11 0.10 0.00 -0.01 0.00 0.00 57.90 56.87 3bg5 n TYR 845 Cb 0.19 -0.45 0.47 0.00 -0.02 0.00 0.00 39.34 39.54 3bg5 n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3bg5 h SER 846 N 1.88 0.42 0.26 7.72 4.64 -1.61 0.53 113.55 127.38 3bg5 h SER 846 Ca 0.11 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3bg5 h SER 846 Cb 1.72 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 3bg5 h SER 846 CO 0.39 0.26 0.00 0.47 -0.87 0.00 0.00 176.83 177.08 3bg5 n ASP 847 N -4.47 0.00 -0.29 4.97 8.00 -1.26 -2.42 116.55 121.07 3bg5 n ASP 847 Ca 0.09 0.45 0.03 0.00 0.71 0.00 0.00 54.79 56.07 3bg5 n ASP 847 Cb 0.32 -0.47 0.06 0.00 -0.02 0.00 0.00 41.12 41.02 3bg5 n ASP 847 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3bg5 n PHE 848 N -1.47 0.18 -1.69 1.24 3.01 0.18 -4.97 117.46 113.94 3bg5 n PHE 848 Ca 0.02 -0.40 -0.40 0.00 1.01 0.00 0.00 57.45 57.67 3bg5 n PHE 848 Cb 0.09 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.55 3bg5 n PHE 848 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3bg5 n GLU 849 N 0.05 1.74 -2.00 -1.08 -0.58 -1.01 -4.01 120.64 113.75 3bg5 n GLU 849 Ca 0.05 0.62 -0.32 0.00 -0.42 0.00 0.00 57.16 57.09 3bg5 n GLU 849 Cb 0.30 -2.36 0.01 0.00 -0.57 0.00 0.00 31.44 28.82 3bg5 n GLU 849 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3bg5 s SER 852 N -0.68 5.81 0.30 1.62 0.15 -1.13 -4.97 113.70 114.80 3bg5 s SER 852 Ca 0.64 1.75 0.03 0.00 0.70 0.00 0.00 55.95 59.08 3bg5 s SER 852 Cb -0.49 -2.52 0.63 0.00 -1.71 0.00 0.00 66.02 61.93 3bg5 s SER 852 CO 0.55 -1.15 1.83 0.44 1.20 0.00 0.00 173.24 176.12 3bg5 h ASP 853 N 0.29 0.86 -2.88 5.45 3.32 -1.94 -3.44 116.42 118.07 3bg5 h ASP 853 Ca -0.46 0.05 -0.54 0.00 0.02 0.00 0.00 57.03 56.10 3bg5 h ASP 853 Cb 1.21 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.66 3bg5 h ASP 853 CO 0.58 0.43 0.85 -0.63 -1.72 0.00 0.00 179.24 178.75 3bg5 s ILE 854 N -5.89 3.46 0.00 0.35 1.01 -1.26 -4.88 121.20 113.98 3bg5 s ILE 854 Ca -0.11 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.45 3bg5 s ILE 854 Cb 0.23 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3bg5 s ILE 854 CO 0.80 0.01 0.49 2.29 0.00 0.00 0.00 174.94 178.54 3bg5 n LYS 855 N 5.09 0.53 -4.15 2.79 2.85 -1.26 -5.01 118.16 119.00 3bg5 n LYS 855 Ca 0.13 -0.60 -0.16 0.00 -1.05 0.00 0.00 58.31 56.63 3bg5 n LYS 855 Cb 0.43 -0.67 -0.12 0.00 -0.65 0.00 0.00 35.03 34.01 3bg5 n LYS 855 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3bg5 s SER 856 N -0.22 1.25 0.63 -5.58 0.01 -1.26 -5.09 113.70 103.44 3bg5 s SER 856 Ca 0.00 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 56.56 3bg5 s SER 856 Cb 0.00 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 3bg5 s SER 856 CO 0.00 -0.10 1.01 -0.81 0.41 0.00 0.00 173.24 173.74 3bg5 n PRO 857 N 1.57 0.86 -3.64 12.44 -0.04 -1.26 -5.00 135.00 139.93 3bg5 n PRO 857 Ca -0.21 0.34 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 3bg5 n PRO 857 Cb 0.55 -2.23 -0.17 0.00 -0.04 0.00 0.00 33.50 31.61 3bg5 n PRO 857 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3bg5 s ASN 858 N -1.33 2.19 0.00 3.54 3.04 0.64 -4.99 114.94 118.04 3bg5 s ASN 858 Ca 0.77 -0.51 0.27 0.00 0.04 0.00 0.00 52.86 53.43 3bg5 s ASN 858 Cb -0.40 -0.27 0.87 0.00 -1.54 0.00 0.00 41.25 39.91 3bg5 s ASN 858 CO 0.46 -0.33 1.64 0.35 -3.04 0.00 0.00 177.10 176.18 3bg5 n THR 859 N 5.26 0.00 0.30 -5.21 -2.24 -1.26 -3.87 114.28 107.26 3bg5 n THR 859 Ca -0.07 -0.12 0.17 0.00 -2.27 0.00 0.00 64.05 61.76 3bg5 n THR 859 Cb 0.49 0.30 0.78 0.00 -2.10 0.00 0.00 70.33 69.80 3bg5 n THR 859 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3bg5 h GLU 860 N 1.14 0.00 -1.00 -0.78 5.08 -1.96 -2.10 114.58 114.96 3bg5 h GLU 860 Ca 0.00 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.73 3bg5 h GLU 860 Cb 0.48 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.54 3bg5 h GLU 860 CO 0.00 0.00 0.37 0.82 -1.00 0.00 0.00 179.01 179.20 3bg5 h ILE 861 N 0.00 0.01 0.00 3.13 5.03 -1.95 0.26 117.51 123.99 3bg5 h ILE 861 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3bg5 h ILE 861 Cb 0.30 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.09 3bg5 h ILE 861 CO 0.00 0.00 0.00 1.88 -0.68 0.00 0.00 178.15 179.35 3bg5 h TYR 862 N 0.01 0.00 0.00 1.37 -1.99 -1.68 -1.23 116.97 113.45 3bg5 h TYR 862 Ca 0.77 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 61.12 3bg5 h TYR 862 Cb 1.91 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.58 3bg5 h TYR 862 CO -0.17 0.00 -2.20 1.04 -0.00 0.00 0.00 178.16 176.83 3bg5 n GLN 863 N -2.71 0.58 -0.01 4.88 1.13 0.03 -4.76 117.38 116.51 3bg5 n GLN 863 Ca -0.00 0.29 -0.07 0.00 -1.94 0.00 0.00 57.00 55.28 3bg5 n GLN 863 Cb 0.18 -1.51 -0.13 0.00 0.11 0.00 0.00 30.24 28.88 3bg5 n GLN 863 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 3bg5 h HIS 864 N -1.00 0.00 -1.25 1.08 2.07 -1.47 -3.45 115.15 111.13 3bg5 h HIS 864 Ca -0.57 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 56.76 3bg5 h HIS 864 Cb 1.49 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.46 3bg5 h HIS 864 CO -0.11 0.94 -0.23 0.39 -3.07 0.00 0.00 177.93 175.84 3bg5 n GLU 865 N -3.04 -0.74 -2.37 5.12 1.02 -0.47 -4.52 120.64 115.65 3bg5 n GLU 865 Ca -0.15 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.06 3bg5 n GLU 865 Cb 1.01 -4.50 -0.03 0.00 -0.02 0.00 0.00 31.44 27.90 3bg5 n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3bg5 s MET 866 N -4.29 4.31 0.91 3.49 -1.94 -1.26 -4.88 119.30 115.64 3bg5 s MET 866 Ca 0.00 1.78 -0.13 0.00 -1.71 0.00 0.00 55.69 55.63 3bg5 s MET 866 Cb 0.00 -3.59 0.14 0.00 2.01 0.00 0.00 34.83 33.39 3bg5 s MET 866 CO 0.00 -0.52 1.19 -1.25 -0.01 0.00 0.00 175.02 174.43 3bg5 s PRO 867 N 2.43 1.14 1.49 2.03 0.04 -1.26 -4.74 135.00 136.13 3bg5 s PRO 867 Ca 0.59 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3bg5 s PRO 867 Cb -0.27 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3bg5 s PRO 867 CO 0.23 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.53 3bg5 n GLY 868 N -2.81 1.57 0.90 0.56 0.00 -1.15 -2.11 105.19 102.15 3bg5 n GLY 868 Ca 0.09 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.86 3bg5 n GLY 868 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 869 N 0.00 1.19 0.47 -0.02 0.00 -1.26 -4.49 105.19 101.07 3bg5 n GLY 869 Ca 0.00 -0.57 0.29 0.00 0.00 0.00 0.00 46.02 45.74 3bg5 n GLY 869 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3bg5 h GLN 870 N 3.21 0.18 -0.00 1.61 4.15 -1.75 0.15 115.11 122.66 3bg5 h GLN 870 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3bg5 h GLN 870 Cb 0.72 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3bg5 h GLN 870 CO 0.00 0.12 0.00 2.48 -1.93 0.00 0.00 178.83 179.50 3bg5 n TYR 871 N -4.41 0.00 0.00 3.99 0.18 -1.26 -0.43 117.16 115.23 3bg5 n TYR 871 Ca 0.26 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.04 3bg5 n TYR 871 Cb 1.07 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 40.03 3bg5 n TYR 871 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3bg5 n SER 872 N -0.50 2.10 -0.25 9.48 3.41 0.50 -4.51 113.62 123.85 3bg5 n SER 872 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3bg5 n SER 872 Cb 0.00 0.05 0.12 0.00 -0.26 0.00 0.00 64.21 64.12 3bg5 n SER 872 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3bg5 h ASN 873 N 0.00 1.01 0.72 4.04 2.35 -1.22 0.33 115.58 122.80 3bg5 h ASN 873 Ca 0.00 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 3bg5 h ASN 873 Cb 0.50 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3bg5 h ASN 873 CO 0.00 0.88 -0.38 0.25 -1.65 0.00 0.00 177.43 176.53 3bg5 h LEU 874 N 1.09 0.00 -0.23 1.61 6.46 -1.02 0.15 115.31 123.37 3bg5 h LEU 874 Ca 0.26 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.81 3bg5 h LEU 874 Cb 0.17 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.10 3bg5 h LEU 874 CO -0.03 0.38 -0.67 -1.28 -0.62 0.00 0.00 178.44 176.22 3bg5 h SER 875 N 0.00 0.96 -0.27 1.25 0.87 -1.53 0.30 113.55 115.13 3bg5 h SER 875 Ca -0.00 -0.57 0.03 0.00 -1.23 0.00 0.00 61.79 60.02 3bg5 h SER 875 Cb 0.84 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 3bg5 h SER 875 CO 0.05 1.37 0.07 -0.61 -0.53 0.00 0.00 176.83 177.18 3bg5 h GLN 876 N 0.60 0.18 -0.74 2.24 4.15 0.14 0.49 115.11 122.17 3bg5 h GLN 876 Ca -0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3bg5 h GLN 876 Cb 1.29 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 3bg5 h GLN 876 CO 0.14 0.12 0.42 0.37 -1.93 0.00 0.00 178.83 177.95 3bg5 h GLN 877 N 0.19 1.03 -0.40 1.69 4.15 -0.63 -2.57 115.11 118.56 3bg5 h GLN 877 Ca 0.12 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 3bg5 h GLN 877 Cb 0.11 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3bg5 h GLN 877 CO -0.14 0.76 -0.01 0.00 -1.93 0.00 0.00 178.83 177.50 3bg5 h ALA 878 N 1.21 1.23 -0.31 3.38 0.00 0.15 -3.06 119.26 121.87 3bg5 h ALA 878 Ca 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3bg5 h ALA 878 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3bg5 h ALA 878 CO -0.04 0.51 -0.14 0.87 0.00 0.00 0.00 179.25 180.45 3bg5 h LYS 879 N 0.62 0.64 0.00 0.00 1.57 -0.64 -0.53 116.57 118.23 3bg5 h LYS 879 Ca 0.13 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3bg5 h LYS 879 Cb 0.40 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3bg5 h LYS 879 CO 0.02 0.86 0.00 -1.13 -0.57 0.00 0.00 179.45 178.62 3bg5 n SER 880 N -4.40 0.00 -0.19 0.86 3.41 -0.99 -1.41 113.62 110.90 3bg5 n SER 880 Ca -0.03 -1.22 0.02 0.00 -0.26 0.00 0.00 58.87 57.38 3bg5 n SER 880 Cb 0.37 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.36 3bg5 n SER 880 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bg5 n LEU 881 N -0.74 1.85 0.00 1.04 4.77 -1.15 -5.00 117.00 117.76 3bg5 n LEU 881 Ca 0.09 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3bg5 n LEU 881 Cb 0.04 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3bg5 n LEU 881 CO 0.07 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3bg5 n GLY 882 N 0.02 0.51 0.64 -0.72 0.00 -0.50 -4.95 105.19 100.18 3bg5 n GLY 882 Ca 0.03 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.28 3bg5 n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 883 N 0.00 3.23 0.02 0.99 4.77 -0.22 -4.73 117.00 121.07 3bg5 n LEU 883 Ca 0.00 -2.59 0.05 0.00 -0.03 0.00 0.00 56.01 53.44 3bg5 n LEU 883 Cb 0.00 -0.38 0.46 0.00 -2.33 0.00 0.00 43.42 41.17 3bg5 n LEU 883 CO 0.00 0.68 1.16 1.23 -1.33 0.00 0.00 177.39 179.13 3bg5 h GLY 884 N 1.52 0.51 2.00 -0.72 0.00 -1.79 0.90 103.07 105.50 3bg5 h GLY 884 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3bg5 h GLY 884 CO 0.10 0.18 0.00 0.83 0.00 0.00 0.00 176.54 177.65 3bg5 h GLU 885 N 0.48 0.00 -0.43 4.80 4.39 -1.93 -3.30 114.58 118.60 3bg5 h GLU 885 Ca 0.15 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.59 3bg5 h GLU 885 Cb 0.01 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.50 3bg5 h GLU 885 CO -0.03 0.00 -0.15 0.54 -1.16 0.00 0.00 179.01 178.20 3bg5 n ARG 886 N -2.41 2.11 0.20 2.33 1.74 0.29 -4.76 116.66 116.16 3bg5 n ARG 886 Ca 0.05 -3.35 0.04 0.00 -0.77 0.00 0.00 57.85 53.82 3bg5 n ARG 886 Cb 0.43 -1.90 0.42 0.00 -1.02 0.00 0.00 32.46 30.39 3bg5 n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3bg5 h PHE 887 N 1.23 0.00 -0.75 -1.55 3.57 -1.58 -2.39 116.94 115.47 3bg5 h PHE 887 Ca 0.26 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3bg5 h PHE 887 Cb 1.55 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 3bg5 h PHE 887 CO 1.03 0.31 0.49 0.38 -2.23 0.00 0.00 178.31 178.29 3bg5 h ASP 888 N 0.00 0.87 -0.21 0.41 2.03 -1.91 -0.83 116.42 116.79 3bg5 h ASP 888 Ca -0.00 -0.03 -0.05 0.00 -0.73 0.00 0.00 57.03 56.22 3bg5 h ASP 888 Cb 0.56 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.83 3bg5 h ASP 888 CO 0.04 0.63 -0.02 -0.33 -1.03 0.00 0.00 179.24 178.53 3bg5 h GLU 889 N 1.02 0.50 0.02 4.15 5.08 -1.82 -1.01 114.58 122.53 3bg5 h GLU 889 Ca 0.27 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3bg5 h GLU 889 Cb -0.11 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3bg5 h GLU 889 CO -0.06 0.55 -0.01 0.28 -1.00 0.00 0.00 179.01 178.77 3bg5 h VAL 890 N 0.48 1.28 -0.98 3.13 2.07 -1.15 -0.47 116.25 120.61 3bg5 h VAL 890 Ca 0.10 -0.96 0.14 0.00 0.82 0.00 0.00 66.70 66.81 3bg5 h VAL 890 Cb 0.35 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 3bg5 h VAL 890 CO 0.01 0.24 0.62 0.11 0.02 0.00 0.00 177.57 178.57 3bg5 h LYS 891 N -0.45 0.84 0.05 1.57 1.57 -1.07 0.32 116.57 119.40 3bg5 h LYS 891 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3bg5 h LYS 891 Cb 0.43 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3bg5 h LYS 891 CO 0.01 0.56 -0.02 0.22 -0.57 0.00 0.00 179.45 179.64 3bg5 h ASP 892 N 0.87 -0.05 -0.77 0.86 3.58 -1.12 -3.04 116.42 116.74 3bg5 h ASP 892 Ca 0.51 -0.39 0.07 0.00 0.42 0.00 0.00 57.03 57.64 3bg5 h ASP 892 Cb 0.65 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 3bg5 h ASP 892 CO -0.28 0.37 0.44 -0.03 -2.88 0.00 0.00 179.24 176.87 3bg5 h MET 893 N -0.49 0.77 -0.38 0.28 4.05 -0.50 -1.17 114.93 117.48 3bg5 h MET 893 Ca -0.01 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.44 3bg5 h MET 893 Cb 0.44 -0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 30.98 3bg5 h MET 893 CO 0.01 0.51 -0.33 -0.92 0.23 0.00 0.00 176.91 176.41 3bg5 h TYR 894 N 0.79 -0.91 -0.87 1.39 3.20 -0.40 0.59 116.97 120.76 3bg5 h TYR 894 Ca 0.35 0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.33 3bg5 h TYR 894 Cb 0.25 0.46 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3bg5 h TYR 894 CO -0.06 -0.38 0.55 -0.09 -1.64 0.00 0.00 178.16 176.54 3bg5 h ARG 895 N -0.27 1.01 -0.43 1.82 2.43 -1.29 -1.95 114.38 115.70 3bg5 h ARG 895 Ca 0.17 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3bg5 h ARG 895 Cb 0.54 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3bg5 h ARG 895 CO -0.52 0.67 -0.05 0.00 -1.51 0.00 0.00 179.97 178.56 3bg5 h ARG 896 N 1.04 0.80 -0.61 0.20 3.08 0.05 -2.56 114.38 116.39 3bg5 h ARG 896 Ca 0.36 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3bg5 h ARG 896 Cb 0.09 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3bg5 h ARG 896 CO -0.14 0.89 0.37 0.28 -1.07 0.00 0.00 179.97 180.30 3bg5 h VAL 897 N 0.63 1.17 -0.22 2.04 2.07 0.35 0.14 116.25 122.44 3bg5 h VAL 897 Ca 0.12 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3bg5 h VAL 897 Cb 0.56 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3bg5 h VAL 897 CO 0.03 0.17 0.10 -1.13 0.02 0.00 0.00 177.57 176.76 3bg5 h ASN 898 N 0.83 0.13 0.00 0.57 -0.73 -0.95 0.52 115.58 115.97 3bg5 h ASN 898 Ca 0.22 0.01 -0.18 0.00 1.87 0.00 0.00 56.30 58.23 3bg5 h ASN 898 Cb -0.04 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.53 3bg5 h ASN 898 CO -0.04 0.11 -0.61 -0.26 -0.37 0.00 0.00 177.43 176.25 3bg5 h PHE 899 N 0.21 0.77 -0.40 0.67 -1.00 -1.26 0.62 116.94 116.56 3bg5 h PHE 899 Ca 0.09 -0.29 0.07 0.00 2.81 0.00 0.00 57.97 60.65 3bg5 h PHE 899 Cb 0.04 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 3bg5 h PHE 899 CO -0.10 1.06 0.27 1.25 -1.61 0.00 0.00 178.31 179.18 3bg5 h LEU 900 N 0.45 0.20 -1.05 1.54 5.85 -0.52 -1.27 115.31 120.51 3bg5 h LEU 900 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3bg5 h LEU 900 Cb 1.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3bg5 h LEU 900 CO 0.12 0.13 -0.01 0.49 -0.34 0.00 0.00 178.44 178.83 3bg5 n PHE 901 N -4.47 0.00 0.00 1.25 3.01 0.16 -4.89 117.46 112.52 3bg5 n PHE 901 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 3bg5 n PHE 901 Cb 0.31 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 3bg5 n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 902 N 1.20 1.01 2.06 1.37 0.00 -0.48 -4.68 105.19 105.68 3bg5 n GLY 902 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3bg5 n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bg5 n ASP 903 N 0.00 -4.55 -4.92 1.61 4.64 0.21 -4.76 116.55 108.78 3bg5 n ASP 903 Ca 0.00 0.30 -0.20 0.00 -1.38 0.00 0.00 54.79 53.51 3bg5 n ASP 903 Cb 0.00 -2.87 -0.02 0.00 -1.04 0.00 0.00 41.12 37.19 3bg5 n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3bg5 s ILE 904 N -1.51 3.32 0.16 5.18 -4.36 -1.26 -4.87 121.20 117.86 3bg5 s ILE 904 Ca 0.09 -1.20 -0.29 0.00 -0.26 0.00 0.00 60.65 58.99 3bg5 s ILE 904 Cb -0.02 -3.15 -0.07 0.00 1.25 0.00 0.00 42.46 40.47 3bg5 s ILE 904 CO 0.33 -0.09 0.93 -0.69 0.24 0.00 0.00 174.94 175.66 3bg5 s VAL 905 N -2.33 4.35 -0.51 8.37 1.01 -1.26 -5.02 120.40 125.01 3bg5 s VAL 905 Ca 0.47 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.48 3bg5 s VAL 905 Cb -0.07 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.14 3bg5 s VAL 905 CO 0.29 0.40 0.28 -0.54 0.00 0.00 0.00 175.10 175.53 3bg5 s LYS 906 N -0.49 2.13 0.40 2.72 1.02 -1.26 -4.62 119.74 119.63 3bg5 s LYS 906 Ca 0.44 -2.28 0.05 0.00 0.02 0.00 0.00 55.97 54.19 3bg5 s LYS 906 Cb -0.24 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 3bg5 s LYS 906 CO 0.30 -1.10 0.18 0.08 -0.92 0.00 0.00 175.35 173.89 3bg5 s VAL 907 N 0.32 0.38 0.19 3.17 1.01 -1.26 -4.47 120.40 119.74 3bg5 s VAL 907 Ca 0.14 -2.00 -0.31 0.00 0.00 0.00 0.00 61.98 59.81 3bg5 s VAL 907 Cb -0.22 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 3bg5 s VAL 907 CO -0.03 0.00 1.44 -0.89 0.00 0.00 0.00 175.10 175.62 3bg5 s THR 908 N -3.25 2.85 -2.44 3.92 2.01 -1.26 0.90 115.64 118.37 3bg5 s THR 908 Ca 0.27 0.67 0.23 0.00 0.31 0.00 0.00 61.69 63.17 3bg5 s THR 908 Cb 0.02 -3.43 0.44 0.00 0.01 0.00 0.00 72.50 69.55 3bg5 s THR 908 CO 0.18 0.08 1.41 -0.81 -0.69 0.00 0.00 174.62 174.80 3bg5 n PRO 909 N 3.09 2.54 -0.12 4.92 -0.04 -1.26 -4.72 135.00 139.41 3bg5 n PRO 909 Ca 0.09 -2.34 -0.00 0.00 -0.04 0.00 0.00 63.50 61.22 3bg5 n PRO 909 Cb 0.41 -1.52 0.27 0.00 -0.04 0.00 0.00 33.50 32.61 3bg5 n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bg5 h SER 910 N 4.50 0.71 0.10 3.54 4.64 -0.67 -1.65 113.55 124.72 3bg5 h SER 910 Ca 0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3bg5 h SER 910 Cb 1.00 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3bg5 h SER 910 CO 0.00 0.61 -0.10 0.77 -0.87 0.00 0.00 176.83 177.24 3bg5 h SER 911 N 0.79 0.00 -0.38 4.97 4.64 0.25 -2.75 113.55 121.08 3bg5 h SER 911 Ca 0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3bg5 h SER 911 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3bg5 h SER 911 CO -0.03 0.10 -0.04 0.50 -0.87 0.00 0.00 176.83 176.49 3bg5 h LYS 912 N 0.00 0.70 -0.17 4.77 3.64 -1.53 -2.61 116.57 121.37 3bg5 h LYS 912 Ca -0.00 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3bg5 h LYS 912 Cb 0.18 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 3bg5 h LYS 912 CO 0.01 0.82 -0.34 0.28 -2.27 0.00 0.00 179.45 177.95 3bg5 h VAL 913 N 0.51 0.25 -0.83 2.00 2.07 -1.39 0.11 116.25 118.97 3bg5 h VAL 913 Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3bg5 h VAL 913 Cb 0.53 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3bg5 h VAL 913 CO 0.03 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.60 3bg5 h VAL 914 N -0.39 1.26 -0.58 2.57 2.07 -1.52 -1.02 116.25 118.64 3bg5 h VAL 914 Ca 0.10 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3bg5 h VAL 914 Cb 0.56 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3bg5 h VAL 914 CO -0.39 0.30 0.21 1.23 0.02 0.00 0.00 177.57 178.94 3bg5 h GLY 915 N 1.17 0.95 0.89 2.17 0.00 -1.12 -0.75 103.07 106.40 3bg5 h GLY 915 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3bg5 h GLY 915 CO -0.04 0.51 0.03 -0.55 0.00 0.00 0.00 176.54 176.49 3bg5 h ASP 916 N 0.81 0.52 -0.38 0.19 3.45 -0.32 -0.60 116.42 120.09 3bg5 h ASP 916 Ca 0.19 -0.28 0.02 0.00 0.43 0.00 0.00 57.03 57.39 3bg5 h ASP 916 Cb 0.24 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 3bg5 h ASP 916 CO -0.01 0.67 0.22 0.24 -1.57 0.00 0.00 179.24 178.79 3bg5 h MET 917 N 0.35 0.43 -0.31 3.56 2.86 -1.16 0.09 114.93 120.75 3bg5 h MET 917 Ca 0.09 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3bg5 h MET 917 Cb 0.38 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3bg5 h MET 917 CO 0.01 0.29 0.11 0.00 1.06 0.00 0.00 176.91 178.37 3bg5 h ALA 918 N 1.17 0.36 0.25 6.32 0.00 -0.90 0.71 119.26 127.16 3bg5 h ALA 918 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3bg5 h ALA 918 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3bg5 h ALA 918 CO -0.08 -0.29 -0.22 -0.07 0.00 0.00 0.00 179.25 178.59 3bg5 h LEU 919 N 0.24 -0.58 -0.60 0.00 4.07 -0.89 -2.63 115.31 114.91 3bg5 h LEU 919 Ca 0.14 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.25 3bg5 h LEU 919 Cb 0.11 0.20 -0.08 0.00 1.08 0.00 0.00 40.66 41.97 3bg5 h LEU 919 CO -0.14 -0.33 0.20 0.22 -1.08 0.00 0.00 178.44 177.30 3bg5 h TYR 920 N -0.49 0.34 -0.41 1.13 3.20 -0.45 -0.80 116.97 119.49 3bg5 h TYR 920 Ca -0.01 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3bg5 h TYR 920 Cb 0.45 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3bg5 h TYR 920 CO -0.14 0.06 0.04 0.52 -1.64 0.00 0.00 178.16 177.00 3bg5 h MET 921 N 0.36 0.70 -0.52 1.82 2.86 -0.80 -1.16 114.93 118.20 3bg5 h MET 921 Ca 0.31 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 3bg5 h MET 921 Cb 0.41 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3bg5 h MET 921 CO -0.33 0.76 -0.06 0.28 1.06 0.00 0.00 176.91 178.61 3bg5 h VAL 922 N 0.55 1.27 -0.53 -2.22 2.07 -1.21 0.20 116.25 116.37 3bg5 h VAL 922 Ca 0.12 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3bg5 h VAL 922 Cb 0.41 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3bg5 h VAL 922 CO 0.01 0.42 0.22 -0.61 0.02 0.00 0.00 177.57 177.63 3bg5 h GLN 923 N 0.83 0.76 -0.43 1.57 4.15 -1.01 -2.99 115.11 117.99 3bg5 h GLN 923 Ca 0.14 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3bg5 h GLN 923 Cb 0.61 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3bg5 h GLN 923 CO 0.04 0.62 0.00 0.09 -1.93 0.00 0.00 178.83 177.65 3bg5 n ASN 924 N -4.35 4.43 -3.95 -0.69 3.02 -0.45 -4.99 115.26 108.29 3bg5 n ASN 924 Ca 0.04 -2.75 -0.35 0.00 -0.03 0.00 0.00 54.58 51.50 3bg5 n ASN 924 Cb 0.15 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3bg5 n ASN 924 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3bg5 n ASP 925 N 0.25 -2.97 -4.54 6.41 8.00 -0.51 -4.97 116.55 118.22 3bg5 n ASP 925 Ca 0.23 -1.14 -0.33 0.00 0.71 0.00 0.00 54.79 54.26 3bg5 n ASP 925 Cb 0.91 -2.55 -0.12 0.00 -0.02 0.00 0.00 41.12 39.35 3bg5 n ASP 925 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bg5 s LEU 926 N -7.02 2.98 0.00 0.64 1.02 0.58 -5.03 118.68 111.86 3bg5 s LEU 926 Ca 0.31 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.30 3bg5 s LEU 926 Cb -0.14 -1.68 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 3bg5 s LEU 926 CO 0.92 0.32 0.00 -0.90 0.02 0.00 0.00 176.35 176.71 3bg5 n ASP 927 N 1.95 2.38 0.27 2.29 3.85 -1.26 -4.63 116.55 121.39 3bg5 n ASP 927 Ca -0.17 -1.71 0.10 0.00 -0.71 0.00 0.00 54.79 52.31 3bg5 n ASP 927 Cb 0.52 0.12 0.73 0.00 -1.35 0.00 0.00 41.12 41.15 3bg5 n ASP 927 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3bg5 h GLU 928 N 0.00 0.00 0.07 0.11 3.07 -2.00 -2.17 114.58 113.66 3bg5 h GLU 928 Ca -0.13 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.47 3bg5 h GLU 928 Cb 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3bg5 h GLU 928 CO 0.22 0.01 -1.38 1.96 -1.40 0.00 0.00 179.01 178.42 3bg5 h GLN 929 N 0.00 0.15 0.00 2.33 7.50 -2.01 -3.38 115.11 119.71 3bg5 h GLN 929 Ca -0.00 -0.26 0.00 0.00 0.50 0.00 0.00 58.65 58.89 3bg5 h GLN 929 Cb 0.02 0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.65 3bg5 h GLN 929 CO 0.00 1.12 0.00 0.66 -1.50 0.00 0.00 178.83 179.12 3bg5 h SER 930 N -0.51 0.00 1.01 1.46 4.64 -1.93 -1.66 113.55 116.55 3bg5 h SER 930 Ca -0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.93 3bg5 h SER 930 Cb 1.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 3bg5 h SER 930 CO -0.03 0.00 -0.32 1.62 -0.87 0.00 0.00 176.83 177.23 3bg5 h VAL 931 N 0.00 0.72 0.16 0.95 3.04 -1.56 0.60 116.25 120.16 3bg5 h VAL 931 Ca 0.00 -1.45 -0.35 0.00 -1.01 0.00 0.00 66.70 63.88 3bg5 h VAL 931 Cb 0.54 1.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 3bg5 h VAL 931 CO 0.00 0.32 -1.83 0.40 -1.01 0.00 0.00 177.57 175.45 3bg5 h ILE 932 N 0.00 0.83 -0.34 3.17 2.04 -1.60 -3.12 117.51 118.49 3bg5 h ILE 932 Ca -0.00 -2.47 -0.03 0.00 1.00 0.00 0.00 64.86 63.35 3bg5 h ILE 932 Cb 0.91 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 3bg5 h ILE 932 CO 0.04 0.87 0.08 0.74 0.00 0.00 0.00 178.15 179.88 3bg5 h THR 933 N 0.09 1.22 -0.01 -0.27 2.02 -1.14 -3.24 112.91 111.58 3bg5 h THR 933 Ca -0.37 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.06 3bg5 h THR 933 Cb 2.07 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 3bg5 h THR 933 CO 0.15 0.26 -0.47 0.47 0.37 0.00 0.00 175.52 176.29 3bg5 n ASP 934 N -4.62 1.92 -0.13 4.18 10.43 0.19 -4.62 116.55 123.90 3bg5 n ASP 934 Ca -0.01 -1.45 0.27 0.00 2.57 0.00 0.00 54.79 56.17 3bg5 n ASP 934 Cb 0.20 0.46 0.71 0.00 1.84 0.00 0.00 41.12 44.33 3bg5 n ASP 934 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3bg5 h GLY 935 N 4.86 0.00 1.95 0.44 0.00 -1.57 0.21 103.07 108.96 3bg5 h GLY 935 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3bg5 h GLY 935 CO 0.00 0.00 -0.19 0.10 0.00 0.00 0.00 176.54 176.45 3bg5 h TYR 936 N 0.00 0.07 -0.12 5.60 -0.00 -1.82 -2.99 116.97 117.71 3bg5 h TYR 936 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.11 3bg5 h TYR 936 Cb 1.74 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 38.45 3bg5 h TYR 936 CO 0.00 0.26 0.00 0.36 -0.00 0.00 0.00 178.16 178.78 3bg5 n LYS 937 N -4.28 2.26 -4.32 0.10 2.85 0.69 -5.00 118.16 110.45 3bg5 n LYS 937 Ca -0.02 -2.41 -0.33 0.00 -1.05 0.00 0.00 58.31 54.50 3bg5 n LYS 937 Cb 0.27 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 33.07 3bg5 n LYS 937 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bg5 s LEU 938 N -2.32 3.53 -0.55 -5.58 1.43 -0.92 -5.08 118.68 109.18 3bg5 s LEU 938 Ca 0.29 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 3bg5 s LEU 938 Cb 0.23 -1.96 0.14 0.00 0.03 0.00 0.00 46.19 44.64 3bg5 s LEU 938 CO 0.06 0.31 0.43 -0.62 0.23 0.00 0.00 176.35 176.75 3bg5 s ASP 939 N -1.35 5.78 0.32 2.29 3.68 -1.26 -4.93 116.67 121.20 3bg5 s ASP 939 Ca 0.18 -2.20 -0.27 0.00 2.13 0.00 0.00 52.55 52.38 3bg5 s ASP 939 Cb -0.11 -2.01 -0.09 0.00 -1.45 0.00 0.00 42.92 39.25 3bg5 s ASP 939 CO 0.08 -0.62 1.07 -0.36 0.13 0.00 0.00 175.17 175.47 3bg5 s PHE 940 N 0.92 3.48 0.25 -5.34 0.40 -1.26 -4.96 117.98 111.48 3bg5 s PHE 940 Ca 0.10 1.69 -0.29 0.00 -0.60 0.00 0.00 56.93 57.82 3bg5 s PHE 940 Cb -0.23 -3.21 -0.15 0.00 0.51 0.00 0.00 43.02 39.95 3bg5 s PHE 940 CO -0.02 -0.53 1.00 -2.30 0.70 0.00 0.00 175.22 174.07 3bg5 n PRO 941 N 0.72 1.19 -0.33 0.24 -0.02 -1.26 -4.68 135.00 130.86 3bg5 n PRO 941 Ca 0.01 0.42 0.27 0.00 -2.02 0.00 0.00 63.50 62.18 3bg5 n PRO 941 Cb 0.47 -1.78 0.58 0.00 -0.02 0.00 0.00 33.50 32.74 3bg5 n PRO 941 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3bg5 h GLU 942 N 2.24 0.26 -0.55 -0.52 4.39 -2.00 -0.95 114.58 117.45 3bg5 h GLU 942 Ca -0.39 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.21 3bg5 h GLU 942 Cb 1.35 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3bg5 h GLU 942 CO 0.63 0.17 0.01 0.66 -1.16 0.00 0.00 179.01 179.32 3bg5 h SER 943 N 0.27 0.91 -0.15 1.42 4.64 -1.97 -0.68 113.55 117.99 3bg5 h SER 943 Ca 0.60 -0.24 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 3bg5 h SER 943 Cb 1.76 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 63.62 3bg5 h SER 943 CO -0.23 0.97 -0.58 1.62 -0.87 0.00 0.00 176.83 177.74 3bg5 h VAL 944 N 0.87 1.32 -0.74 0.95 3.04 -1.48 -1.76 116.25 118.44 3bg5 h VAL 944 Ca 0.16 -1.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 3bg5 h VAL 944 Cb 0.50 2.02 -0.04 0.00 -2.01 0.00 0.00 31.29 31.77 3bg5 h VAL 944 CO 0.02 0.57 0.47 -0.37 -1.01 0.00 0.00 177.57 177.25 3bg5 h VAL 945 N 0.34 1.20 -0.52 1.51 -1.51 -1.32 0.58 116.25 116.53 3bg5 h VAL 945 Ca -0.03 -0.40 -0.06 0.00 -1.23 0.00 0.00 66.70 64.98 3bg5 h VAL 945 Cb 1.21 0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 3bg5 h VAL 945 CO 0.12 0.20 0.08 -1.28 -1.23 0.00 0.00 177.57 175.46 3bg5 h SER 946 N 1.01 0.83 -0.29 4.19 0.87 -1.12 -1.21 113.55 117.82 3bg5 h SER 946 Ca 0.27 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3bg5 h SER 946 Cb -0.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3bg5 h SER 946 CO -0.06 0.88 0.17 0.15 -0.53 0.00 0.00 176.83 177.45 3bg5 h PHE 947 N 0.74 0.39 0.00 2.24 3.04 -0.37 -1.78 116.94 121.20 3bg5 h PHE 947 Ca 0.16 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3bg5 h PHE 947 Cb 0.41 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.79 3bg5 h PHE 947 CO 0.03 0.29 0.00 1.19 -2.02 0.00 0.00 178.31 177.80 3bg5 n PHE 948 N -4.84 0.00 1.10 0.41 3.01 0.10 -2.09 117.46 115.15 3bg5 n PHE 948 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 3bg5 n PHE 948 Cb 0.06 -0.37 0.32 0.00 -0.01 0.00 0.00 39.48 39.48 3bg5 n PHE 948 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3bg5 n LYS 949 N -1.37 0.31 -0.63 -1.08 4.81 -0.47 -4.82 118.16 114.91 3bg5 n LYS 949 Ca 0.09 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3bg5 n LYS 949 Cb 0.23 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3bg5 n LYS 949 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bg5 n GLY 950 N 1.44 0.62 0.13 3.14 0.00 -0.89 -0.43 105.19 109.19 3bg5 n GLY 950 Ca 0.08 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.69 3bg5 n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bg5 n GLU 951 N -2.63 0.82 -0.00 1.61 1.02 -0.74 -2.64 120.64 118.07 3bg5 n GLU 951 Ca 0.00 -0.25 0.06 0.00 -0.02 0.00 0.00 57.16 56.94 3bg5 n GLU 951 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 3bg5 n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3bg5 n ILE 952 N -0.87 0.00 0.00 -3.67 5.41 -1.26 -4.92 119.36 114.06 3bg5 n ILE 952 Ca 0.16 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3bg5 n ILE 952 Cb 0.25 0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 3bg5 n ILE 952 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bg5 n GLY 953 N 1.87 0.70 3.33 7.39 0.00 -1.08 -4.88 105.19 112.52 3bg5 n GLY 953 Ca -0.02 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 3bg5 n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg5 s GLN 954 N -0.88 3.34 0.45 1.61 -1.52 -1.26 -4.63 119.66 116.77 3bg5 s GLN 954 Ca 0.00 -0.66 -0.24 0.00 -1.95 0.00 0.00 55.36 52.50 3bg5 s GLN 954 Cb 0.00 -3.12 -0.08 0.00 -0.22 0.00 0.00 33.01 29.59 3bg5 s GLN 954 CO 0.00 -0.25 1.31 -1.25 -0.25 0.00 0.00 175.29 174.85 3bg5 s PRO 955 N 1.50 3.71 0.27 2.91 0.04 -1.26 -4.70 135.00 137.47 3bg5 s PRO 955 Ca 0.05 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 3bg5 s PRO 955 Cb -0.15 -2.57 0.56 0.00 0.04 0.00 0.00 34.50 32.38 3bg5 s PRO 955 CO -0.01 -0.70 1.62 0.28 0.04 0.00 0.00 177.00 178.22 3bg5 h VAL 956 N 2.12 0.24 -0.01 -0.36 2.07 -1.90 0.98 116.25 119.39 3bg5 h VAL 956 Ca -0.50 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3bg5 h VAL 956 Cb 1.26 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3bg5 h VAL 956 CO 0.61 0.02 -0.24 0.59 0.02 0.00 0.00 177.57 178.56 3bg5 n ASN 957 N -5.38 0.79 0.00 0.57 4.13 -1.26 -5.06 115.26 109.05 3bg5 n ASN 957 Ca 0.17 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.75 3bg5 n ASN 957 Cb 0.58 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.90 3bg5 n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bg5 n GLY 958 N 1.35 -2.18 3.87 7.41 0.00 0.34 -4.94 105.19 111.04 3bg5 n GLY 958 Ca 0.12 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 3bg5 n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 959 N -0.23 3.52 0.07 1.61 0.40 -1.26 -4.76 117.98 117.33 3bg5 s PHE 959 Ca 0.00 0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 56.41 3bg5 s PHE 959 Cb 0.00 -1.85 -0.08 0.00 0.51 0.00 0.00 43.02 41.59 3bg5 s PHE 959 CO 0.00 0.66 1.63 1.21 0.70 0.00 0.00 175.22 179.42 3bg5 s ASN 960 N -1.56 6.61 0.30 1.36 3.84 -1.26 -4.91 114.94 119.33 3bg5 s ASN 960 Ca 0.22 2.48 0.04 0.00 0.21 0.00 0.00 52.86 55.81 3bg5 s ASN 960 Cb -0.12 -2.57 0.49 0.00 -0.55 0.00 0.00 41.25 38.50 3bg5 s ASN 960 CO 0.12 -0.87 1.75 0.11 -2.79 0.00 0.00 177.10 175.43 3bg5 h LYS 961 N 8.15 0.40 -0.06 0.43 1.57 -1.98 0.25 116.57 125.33 3bg5 h LYS 961 Ca -0.42 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.17 3bg5 h LYS 961 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3bg5 h LYS 961 CO 0.93 0.62 -0.12 -0.44 -0.57 0.00 0.00 179.45 179.87 3bg5 h ASP 962 N 0.35 0.21 -0.53 0.86 3.32 -2.00 -2.71 116.42 115.93 3bg5 h ASP 962 Ca 0.05 -0.56 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 3bg5 h ASP 962 Cb 0.63 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3bg5 h ASP 962 CO 0.05 0.73 0.25 0.25 -1.72 0.00 0.00 179.24 178.80 3bg5 h LEU 963 N -0.30 0.69 -0.67 1.55 5.85 -1.94 -2.31 115.31 118.18 3bg5 h LEU 963 Ca 0.00 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3bg5 h LEU 963 Cb 0.70 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 3bg5 h LEU 963 CO 0.03 0.63 0.29 -0.61 -0.34 0.00 0.00 178.44 178.43 3bg5 h GLN 964 N 0.71 0.48 -0.31 1.25 4.15 -1.00 -2.13 115.11 118.26 3bg5 h GLN 964 Ca 0.18 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 3bg5 h GLN 964 Cb 0.12 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3bg5 h GLN 964 CO -0.02 0.32 0.08 0.00 -1.93 0.00 0.00 178.83 177.27 3bg5 h ALA 965 N 1.43 0.41 -0.26 3.38 0.00 -1.15 0.35 119.26 123.41 3bg5 h ALA 965 Ca 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3bg5 h ALA 965 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3bg5 h ALA 965 CO -0.30 0.07 -0.00 0.28 0.00 0.00 0.00 179.25 179.30 3bg5 h VAL 966 N 0.34 1.16 0.15 0.00 2.07 -1.15 -1.36 116.25 117.46 3bg5 h VAL 966 Ca 0.10 -0.63 -0.25 0.00 0.82 0.00 0.00 66.70 66.73 3bg5 h VAL 966 Cb 0.29 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3bg5 h VAL 966 CO 0.00 0.22 -1.22 0.40 0.02 0.00 0.00 177.57 176.99 3bg5 h ILE 967 N 0.38 1.23 0.00 4.57 2.04 -1.23 -3.37 117.51 121.14 3bg5 h ILE 967 Ca 0.09 -2.49 -0.04 0.00 1.00 0.00 0.00 64.86 63.41 3bg5 h ILE 967 Cb 0.26 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 3bg5 h ILE 967 CO 0.01 0.73 -0.21 -0.07 0.00 0.00 0.00 178.15 178.60 3bg5 h LEU 968 N -0.26 0.00 -1.21 1.44 3.38 -0.79 -3.47 115.31 114.41 3bg5 h LEU 968 Ca -0.24 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.20 3bg5 h LEU 968 Cb 1.78 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.38 3bg5 h LEU 968 CO 0.12 0.21 -0.83 0.29 0.09 0.00 0.00 178.44 178.33 3bg5 n LYS 969 N -3.36 -3.68 0.00 1.13 4.76 -0.52 -1.93 118.16 114.56 3bg5 n LYS 969 Ca 0.00 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 3bg5 n LYS 969 Cb 0.43 -5.09 0.00 0.00 -1.84 0.00 0.00 35.03 28.53 3bg5 n LYS 969 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bg5 n GLY 970 N -1.55 3.37 3.74 0.72 0.00 -1.26 -5.07 105.19 105.14 3bg5 n GLY 970 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3bg5 n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg5 s GLN 971 N -0.94 2.61 0.16 1.61 -0.21 -0.81 -5.00 119.66 117.07 3bg5 s GLN 971 Ca 0.00 1.80 -0.24 0.00 0.02 0.00 0.00 55.36 56.94 3bg5 s GLN 971 Cb 0.00 -1.89 -0.08 0.00 1.00 0.00 0.00 33.01 32.05 3bg5 s GLN 971 CO 0.00 -1.48 0.75 -1.21 -2.12 0.00 0.00 175.29 171.22 3bg5 s GLU 972 N -3.60 4.51 0.23 2.91 2.02 -1.26 -4.94 118.70 118.57 3bg5 s GLU 972 Ca 0.76 1.09 -0.09 0.00 0.02 0.00 0.00 54.97 56.75 3bg5 s GLU 972 Cb -0.30 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.61 3bg5 s GLU 972 CO 0.39 0.58 0.54 0.00 0.02 0.00 0.00 175.26 176.79 3bg5 s ALA 973 N -1.16 3.58 0.13 5.21 0.00 -1.26 -4.92 121.76 123.34 3bg5 s ALA 973 Ca 0.35 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.68 3bg5 s ALA 973 Cb -0.22 -2.41 -0.09 0.00 0.00 0.00 0.00 23.12 20.40 3bg5 s ALA 973 CO 0.25 0.48 1.49 -0.51 0.00 0.00 0.00 175.76 177.47 3bg5 s LEU 974 N -2.90 4.37 0.00 0.00 1.43 0.42 -4.90 118.68 117.10 3bg5 s LEU 974 Ca 0.47 2.46 0.20 0.00 -1.03 0.00 0.00 54.13 56.24 3bg5 s LEU 974 Cb -0.11 -3.59 0.79 0.00 0.03 0.00 0.00 46.19 43.31 3bg5 s LEU 974 CO 0.22 -0.75 1.57 0.35 0.23 0.00 0.00 176.35 177.97 3bg5 n THR 975 N 4.02 0.18 -3.06 5.49 -2.24 -1.26 -4.83 114.28 112.58 3bg5 n THR 975 Ca 0.13 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3bg5 n THR 975 Cb 0.40 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3bg5 n THR 975 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bg5 n ALA 976 N 0.18 0.00 -2.17 6.98 0.00 -1.26 -5.16 120.51 119.07 3bg5 n ALA 976 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 3bg5 n ALA 976 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 3bg5 n ALA 976 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bg5 s ARG 977 N -1.71 4.55 0.56 0.00 3.52 -1.26 -4.93 118.95 119.68 3bg5 s ARG 977 Ca 0.00 1.72 0.30 0.00 -0.13 0.00 0.00 55.73 57.63 3bg5 s ARG 977 Cb 0.00 -3.30 1.46 0.00 -1.56 0.00 0.00 34.95 31.55 3bg5 s ARG 977 CO 0.00 -0.01 1.87 -1.35 -0.81 0.00 0.00 175.30 175.00 3bg5 h PRO 978 N 5.56 0.00 -0.66 5.12 0.11 -1.92 -2.20 132.00 138.02 3bg5 h PRO 978 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 3bg5 h PRO 978 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3bg5 h PRO 978 CO 0.74 0.00 0.09 0.78 -0.21 0.00 0.00 178.00 179.41 3bg5 h GLY 979 N 0.00 1.18 2.00 -0.55 0.00 -1.92 -3.24 103.07 100.54 3bg5 h GLY 979 Ca 0.35 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3bg5 h GLY 979 CO -0.00 0.73 -0.16 1.05 0.00 0.00 0.00 176.54 178.16 3bg5 h GLU 980 N 1.02 0.00 0.00 4.80 -0.00 -1.75 -2.97 114.58 115.69 3bg5 h GLU 980 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.56 3bg5 h GLU 980 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 3bg5 h GLU 980 CO 0.02 0.16 0.00 0.66 -0.00 0.00 0.00 179.01 179.85 3bg5 n TYR 981 N -3.84 0.37 -4.09 2.06 4.02 -1.22 -4.89 117.16 109.57 3bg5 n TYR 981 Ca -0.02 0.13 -0.35 0.00 -0.01 0.00 0.00 57.90 57.65 3bg5 n TYR 981 Cb 0.26 -0.71 -0.07 0.00 -0.02 0.00 0.00 39.34 38.80 3bg5 n TYR 981 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3bg5 s LEU 982 N -3.65 4.02 0.16 7.72 1.43 -1.12 -5.07 118.68 122.17 3bg5 s LEU 982 Ca 0.09 0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 3bg5 s LEU 982 Cb 0.12 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 3bg5 s LEU 982 CO 0.42 0.36 1.73 -1.61 0.23 0.00 0.00 176.35 177.47 3bg5 s GLU 983 N -1.22 4.15 0.32 1.70 0.41 -1.26 -4.80 118.70 118.00 3bg5 s GLU 983 Ca 0.17 2.54 -0.29 0.00 -0.41 0.00 0.00 54.97 56.98 3bg5 s GLU 983 Cb -0.12 -3.32 -0.12 0.00 -1.78 0.00 0.00 34.13 28.80 3bg5 s GLU 983 CO 0.07 -0.76 1.48 -0.35 -0.49 0.00 0.00 175.26 175.21 3bg5 n PRO 984 N 4.72 2.51 -2.29 0.39 -0.04 -1.26 -4.68 135.00 134.35 3bg5 n PRO 984 Ca 0.16 0.89 -0.41 0.00 -0.04 0.00 0.00 63.50 64.09 3bg5 n PRO 984 Cb 0.37 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 3bg5 n PRO 984 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg5 s VAL 985 N -0.59 3.44 -0.72 0.52 1.01 -1.26 -4.96 120.40 117.84 3bg5 s VAL 985 Ca 0.59 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 63.47 3bg5 s VAL 985 Cb -0.52 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.16 3bg5 s VAL 985 CO 0.56 0.16 1.21 -0.62 0.00 0.00 0.00 175.10 176.41 3bg5 s ASP 986 N 0.46 6.16 0.47 3.32 -1.08 -1.26 -4.87 116.67 119.87 3bg5 s ASP 986 Ca 0.57 -0.58 0.26 0.00 -0.52 0.00 0.00 52.55 52.28 3bg5 s ASP 986 Cb -0.34 -2.53 1.06 0.00 -1.46 0.00 0.00 42.92 39.65 3bg5 s ASP 986 CO 0.35 -1.75 1.88 -0.26 0.52 0.00 0.00 175.17 175.92 3bg5 h PHE 987 N 9.92 0.00 -0.23 -5.34 0.05 -2.00 -2.82 116.94 116.52 3bg5 h PHE 987 Ca -0.28 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.47 3bg5 h PHE 987 Cb 1.05 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.00 3bg5 h PHE 987 CO 1.09 0.17 -0.01 0.93 -0.18 0.00 0.00 178.31 180.32 3bg5 h GLU 988 N 0.00 0.42 0.00 1.51 4.39 -2.00 -1.97 114.58 116.93 3bg5 h GLU 988 Ca -0.00 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3bg5 h GLU 988 Cb 0.66 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3bg5 h GLU 988 CO 0.02 0.61 -0.14 0.87 -1.16 0.00 0.00 179.01 179.21 3bg5 h LYS 989 N 0.19 0.00 -0.15 2.33 1.79 -1.93 0.81 116.57 119.60 3bg5 h LYS 989 Ca 0.07 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.40 3bg5 h LYS 989 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3bg5 h LYS 989 CO 0.01 0.14 -0.44 0.28 -1.08 0.00 0.00 179.45 178.36 3bg5 h VAL 990 N 0.00 1.35 -0.34 0.50 2.07 -1.31 -2.21 116.25 116.31 3bg5 h VAL 990 Ca -0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 3bg5 h VAL 990 Cb 0.37 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3bg5 h VAL 990 CO 0.02 0.52 0.16 -0.09 0.02 0.00 0.00 177.57 178.20 3bg5 h ARG 991 N 0.20 0.49 -0.91 1.57 2.43 -0.70 -0.76 114.38 116.70 3bg5 h ARG 991 Ca -0.01 -0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3bg5 h ARG 991 Cb 1.07 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.43 3bg5 h ARG 991 CO 0.10 0.46 0.51 1.49 -1.51 0.00 0.00 179.97 181.01 3bg5 h GLU 992 N 0.41 0.68 0.03 0.20 4.81 -0.86 0.44 114.58 120.28 3bg5 h GLU 992 Ca 0.12 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3bg5 h GLU 992 Cb 0.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3bg5 h GLU 992 CO -0.01 0.45 -0.01 1.25 -0.73 0.00 0.00 179.01 179.95 3bg5 h LEU 993 N 0.70 -0.03 -0.60 1.64 5.85 -1.14 -3.09 115.31 118.63 3bg5 h LEU 993 Ca 0.50 -0.64 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3bg5 h LEU 993 Cb 0.72 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3bg5 h LEU 993 CO -0.36 0.65 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.31 3bg5 h LEU 994 N -0.76 1.05 -1.27 2.25 3.38 -0.81 -0.47 115.31 118.68 3bg5 h LEU 994 Ca -0.00 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3bg5 h LEU 994 Cb 0.67 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3bg5 h LEU 994 CO 0.01 1.11 -0.24 -0.33 0.09 0.00 0.00 178.44 179.07 3bg5 h GLU 995 N 0.97 0.19 0.47 1.13 5.08 -1.06 0.39 114.58 121.75 3bg5 h GLU 995 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3bg5 h GLU 995 Cb 0.58 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3bg5 h GLU 995 CO 0.03 0.43 -0.22 1.49 -1.00 0.00 0.00 179.01 179.74 3bg5 h GLU 996 N 0.17 -0.61 -0.39 2.33 4.57 -1.38 -3.34 114.58 115.94 3bg5 h GLU 996 Ca 0.03 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 3bg5 h GLU 996 Cb 0.53 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 3bg5 h GLU 996 CO 0.04 -0.30 0.08 0.93 -1.18 0.00 0.00 179.01 178.58 3bg5 h GLU 997 N -0.97 0.21 0.00 1.92 5.08 -0.73 -3.45 114.58 116.63 3bg5 h GLU 997 Ca -0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3bg5 h GLU 997 Cb 0.59 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.80 3bg5 h GLU 997 CO 0.11 0.14 0.02 1.04 -1.00 0.00 0.00 179.01 179.31 3bg5 n GLN 998 N -5.09 0.41 -0.01 2.33 6.02 0.14 -5.02 117.38 116.16 3bg5 n GLN 998 Ca 0.02 -0.22 -0.10 0.00 -0.01 0.00 0.00 57.00 56.69 3bg5 n GLN 998 Cb 0.17 -0.07 -0.07 0.00 1.02 0.00 0.00 30.24 31.29 3bg5 n GLN 998 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3bg5 h GLN 999 N 0.00 -0.37 0.00 -1.09 1.08 -1.85 -3.46 115.11 109.42 3bg5 h GLN 999 Ca -0.03 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3bg5 h GLN 999 Cb 0.11 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3bg5 h GLN 999 CO 0.03 -0.25 0.00 0.41 -0.95 0.00 0.00 178.83 178.07 3bg5 n GLY 1000N -1.29 -1.34 3.61 3.46 0.00 -1.26 -5.00 105.19 103.37 3bg5 n GLY 1000Ca -0.04 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 3bg5 n GLY 1000CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 1001N 0.00 3.40 -0.08 1.61 0.04 -1.26 -4.71 135.00 134.00 3bg5 s PRO 1001Ca 0.00 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.03 3bg5 s PRO 1001Cb 0.00 -4.27 0.02 0.00 0.04 0.00 0.00 34.50 30.29 3bg5 s PRO 1001CO 0.00 -1.79 -0.09 0.08 0.04 0.00 0.00 177.00 175.24 3bg5 s VAL 1002N 7.10 0.99 0.72 -0.36 1.01 -1.26 -5.07 120.40 123.53 3bg5 s VAL 1002Ca 0.92 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3bg5 s VAL 1002Cb -0.32 -0.95 0.14 0.00 0.00 0.00 0.00 36.38 35.25 3bg5 s VAL 1002CO 0.35 0.34 1.00 0.42 0.00 0.00 0.00 175.10 177.20 3bg5 s THR 1003N 1.06 2.03 0.22 3.92 -4.23 -1.26 -4.97 115.64 112.41 3bg5 s THR 1003Ca -0.08 -0.67 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3bg5 s THR 1003Cb -0.14 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 3bg5 s THR 1003CO -0.01 0.00 1.57 -0.33 -0.54 0.00 0.00 174.62 175.32 3bg5 h GLU 1004N -0.50 0.48 -0.19 3.99 4.39 -2.01 -2.60 114.58 118.14 3bg5 h GLU 1004Ca -0.34 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.02 3bg5 h GLU 1004Cb 1.26 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3bg5 h GLU 1004CO 0.38 0.86 -0.19 1.96 -1.16 0.00 0.00 179.01 180.85 3bg5 h GLN 1005N 0.38 0.33 -0.27 2.33 4.20 -1.97 -2.29 115.11 117.82 3bg5 h GLN 1005Ca 0.02 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3bg5 h GLN 1005Cb 0.98 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3bg5 h GLN 1005CO 0.09 0.52 0.15 -0.44 -0.67 0.00 0.00 178.83 178.48 3bg5 h ASP 1006N 0.30 0.34 0.44 1.46 3.32 -1.90 -2.78 116.42 117.61 3bg5 h ASP 1006Ca 0.05 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3bg5 h ASP 1006Cb 0.52 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3bg5 h ASP 1006CO 0.03 0.32 -0.25 0.40 -1.72 0.00 0.00 179.24 178.03 3bg5 h ILE 1007N 0.33 0.49 0.00 0.35 2.04 -1.04 -1.37 117.51 118.31 3bg5 h ILE 1007Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 3bg5 h ILE 1007Cb 0.06 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3bg5 h ILE 1007CO -0.02 0.00 -0.39 0.16 0.00 0.00 0.00 178.15 177.91 3bg5 h ILE 1008N -0.64 1.22 -0.65 -0.67 -0.00 -1.59 -1.92 117.51 113.25 3bg5 h ILE 1008Ca -0.05 -1.35 -0.01 0.00 -0.00 0.00 0.00 64.86 63.44 3bg5 h ILE 1008Cb 0.52 1.74 -0.03 0.00 -0.00 0.00 0.00 36.82 39.05 3bg5 h ILE 1008CO 0.07 0.38 0.35 0.28 -0.00 0.00 0.00 178.15 179.23 3bg5 h SER 1009N 0.00 0.81 -0.10 2.16 0.02 -1.24 0.39 113.55 115.59 3bg5 h SER 1009Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3bg5 h SER 1009Cb 0.71 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 3bg5 h SER 1009CO 0.05 0.68 0.02 0.22 -1.14 0.00 0.00 176.83 176.66 3bg5 h TYR 1010N 0.89 0.16 -0.50 3.45 3.20 -0.99 -0.36 116.97 122.82 3bg5 h TYR 1010Ca 0.23 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3bg5 h TYR 1010Cb 0.05 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3bg5 h TYR 1010CO -0.01 0.34 0.33 0.28 -1.64 0.00 0.00 178.16 177.46 3bg5 h VAL 1011N -0.06 1.13 -0.26 1.81 2.07 -0.99 0.62 116.25 120.57 3bg5 h VAL 1011Ca 0.03 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3bg5 h VAL 1011Cb 0.26 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3bg5 h VAL 1011CO 0.00 0.13 0.06 -0.07 0.02 0.00 0.00 177.57 177.71 3bg5 h LEU 1012N 0.68 0.40 -6.50 2.57 3.38 -0.18 -3.38 115.31 112.28 3bg5 h LEU 1012Ca 0.18 -0.24 -0.60 0.00 0.09 0.00 0.00 57.88 57.32 3bg5 h LEU 1012Cb -0.07 -0.11 -0.39 0.00 0.09 0.00 0.00 40.66 40.19 3bg5 h LEU 1012CO -0.04 0.53 -0.90 -1.22 0.09 0.00 0.00 178.44 176.91 3bg5 n TYR 1013N -4.70 -0.08 0.41 1.13 4.02 -0.15 -4.62 117.16 113.17 3bg5 n TYR 1013Ca -0.03 -3.51 -0.19 0.00 -0.01 0.00 0.00 57.90 54.16 3bg5 n TYR 1013Cb 0.18 0.08 -0.09 0.00 -0.02 0.00 0.00 39.34 39.49 3bg5 n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3bg5 h PRO 1014N 5.56 -1.07 -0.24 -0.72 0.11 -1.06 0.11 132.00 134.68 3bg5 h PRO 1014Ca 0.24 0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 3bg5 h PRO 1014Cb 0.88 0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3bg5 h PRO 1014CO 0.44 -0.71 0.09 -0.22 -0.21 0.00 0.00 178.00 177.39 3bg5 h LYS 1015N -1.11 0.37 -0.50 1.05 3.64 -1.96 -1.52 116.57 116.55 3bg5 h LYS 1015Ca -0.10 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3bg5 h LYS 1015Cb 0.89 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3bg5 h LYS 1015CO 0.10 0.43 0.31 0.28 -2.27 0.00 0.00 179.45 178.30 3bg5 h VAL 1016N 0.24 1.15 0.08 2.00 2.07 -1.96 -1.86 116.25 117.96 3bg5 h VAL 1016Ca 0.08 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3bg5 h VAL 1016Cb 0.20 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3bg5 h VAL 1016CO -0.01 0.15 -0.09 0.22 0.02 0.00 0.00 177.57 177.86 3bg5 h TYR 1017N 0.66 -0.24 -0.76 1.57 3.20 -0.58 -0.13 116.97 120.70 3bg5 h TYR 1017Ca 0.18 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.20 3bg5 h TYR 1017Cb -0.03 0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.24 3bg5 h TYR 1017CO -0.03 -0.15 0.30 0.93 -1.64 0.00 0.00 178.16 177.58 3bg5 h GLU 1018N -0.20 0.43 -0.51 1.82 4.39 -1.12 -1.24 114.58 118.15 3bg5 h GLU 1018Ca 0.01 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3bg5 h GLU 1018Cb 0.20 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3bg5 h GLU 1018CO -0.04 0.29 0.09 1.96 -1.16 0.00 0.00 179.01 180.14 3bg5 h GLN 1019N 0.44 0.84 -0.95 2.33 4.20 -0.88 -2.59 115.11 118.51 3bg5 h GLN 1019Ca 0.42 -0.22 0.14 0.00 0.06 0.00 0.00 58.65 59.05 3bg5 h GLN 1019Cb 0.64 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 3bg5 h GLN 1019CO -0.41 0.83 0.60 -0.92 -0.67 0.00 0.00 178.83 178.26 3bg5 h TYR 1020N 0.72 0.96 -0.30 2.96 3.20 0.12 -2.16 116.97 122.48 3bg5 h TYR 1020Ca 0.16 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3bg5 h TYR 1020Cb 0.39 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3bg5 h TYR 1020CO 0.03 0.35 -0.10 0.82 -1.64 0.00 0.00 178.16 177.62 3bg5 h ILE 1021N 0.81 1.29 -0.89 1.81 1.08 -1.00 -0.50 117.51 120.11 3bg5 h ILE 1021Ca 0.48 -1.17 0.02 0.00 -0.39 0.00 0.00 64.86 63.80 3bg5 h ILE 1021Cb 0.66 1.43 -0.05 0.00 -3.07 0.00 0.00 36.82 35.79 3bg5 h ILE 1021CO -0.25 0.37 0.59 1.56 -0.69 0.00 0.00 178.15 179.74 3bg5 h GLN 1022N 0.35 1.15 -0.29 2.37 1.08 -1.10 0.88 115.11 119.55 3bg5 h GLN 1022Ca 0.07 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3bg5 h GLN 1022Cb 0.60 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 3bg5 h GLN 1022CO 0.04 0.76 0.01 1.15 -0.95 0.00 0.00 178.83 179.83 3bg5 h THR 1023N 1.18 1.25 -0.95 -0.54 2.02 -1.24 -0.48 112.91 114.16 3bg5 h THR 1023Ca 0.33 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.61 3bg5 h THR 1023Cb -0.10 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3bg5 h THR 1023CO -0.08 0.29 0.63 -0.09 0.37 0.00 0.00 175.52 176.64 3bg5 h ARG 1024N 0.30 1.24 -0.73 6.66 2.43 -0.56 0.15 114.38 123.86 3bg5 h ARG 1024Ca 0.08 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3bg5 h ARG 1024Cb 0.42 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3bg5 h ARG 1024CO 0.01 0.82 0.28 -0.91 -1.51 0.00 0.00 179.97 178.66 3bg5 h ASN 1025N 1.27 1.03 0.33 -3.80 -0.26 -0.69 -0.79 115.58 112.66 3bg5 h ASN 1025Ca 0.35 -0.18 -0.28 0.00 -0.56 0.00 0.00 56.30 55.63 3bg5 h ASN 1025Cb -0.13 -0.27 0.02 0.00 -1.06 0.00 0.00 38.32 36.88 3bg5 h ASN 1025CO -0.08 0.93 -1.20 -0.61 -1.06 0.00 0.00 177.43 175.41 3bg5 h GLN 1026N 1.06 0.47 0.00 0.81 4.15 -0.38 -3.40 115.11 117.82 3bg5 h GLN 1026Ca 0.24 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 59.01 3bg5 h GLN 1026Cb 0.24 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3bg5 h GLN 1026CO -0.02 1.28 0.00 0.66 -1.93 0.00 0.00 178.83 178.82 3bg5 n TYR 1027N -3.70 0.00 -4.27 3.99 0.53 0.46 -4.76 117.16 109.40 3bg5 n TYR 1027Ca -0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.77 3bg5 n TYR 1027Cb 0.97 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.28 3bg5 n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3bg5 n GLY 1028N 0.27 -0.38 3.51 2.72 0.00 -0.30 -4.25 105.19 106.76 3bg5 n GLY 1028Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3bg5 n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bg5 s ASN 1029N -4.00 6.40 0.40 1.61 3.04 -1.26 -4.51 114.94 116.61 3bg5 s ASN 1029Ca 0.00 -1.29 0.15 0.00 0.04 0.00 0.00 52.86 51.75 3bg5 s ASN 1029Cb 0.00 -2.50 0.84 0.00 -1.54 0.00 0.00 41.25 38.05 3bg5 s ASN 1029CO 0.00 -1.46 1.87 -0.07 -3.04 0.00 0.00 177.10 174.40 3bg5 h LEU 1030N 12.01 0.00 -1.10 3.21 3.38 -1.82 -2.97 115.31 128.03 3bg5 h LEU 1030Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bg5 h LEU 1030Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3bg5 h LEU 1030CO 1.28 0.31 0.00 -1.54 0.09 0.00 0.00 178.44 178.58 3bg5 n SER 1031N -4.06 0.47 0.12 -0.43 3.41 -1.26 -1.98 113.62 109.89 3bg5 n SER 1031Ca -0.02 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 3bg5 n SER 1031Cb 0.37 -0.77 0.17 0.00 -0.26 0.00 0.00 64.21 63.72 3bg5 n SER 1031CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3bg5 h LEU 1032N 0.00 0.00 -9.88 1.04 3.38 -1.88 -3.37 115.31 104.60 3bg5 h LEU 1032Ca 0.00 -0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 3bg5 h LEU 1032Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.84 3bg5 h LEU 1032CO 0.00 0.03 0.54 -0.76 0.09 0.00 0.00 178.44 178.34 3bg5 s LEU 1033N -5.07 4.38 0.59 1.67 1.43 -0.84 -4.39 118.68 116.44 3bg5 s LEU 1033Ca 0.06 2.44 -0.20 0.00 -1.03 0.00 0.00 54.13 55.39 3bg5 s LEU 1033Cb 0.10 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3bg5 s LEU 1033CO 0.70 -0.47 1.28 1.51 0.23 0.00 0.00 176.35 179.61 3bg5 s ASP 1034N -0.85 5.10 0.13 2.29 1.47 -1.26 -4.78 116.67 118.77 3bg5 s ASP 1034Ca 0.51 2.58 -0.20 0.00 1.18 0.00 0.00 52.55 56.61 3bg5 s ASP 1034Cb -0.34 -2.62 -0.01 0.00 -0.34 0.00 0.00 42.92 39.61 3bg5 s ASP 1034CO 0.44 -1.67 1.68 0.74 0.68 0.00 0.00 175.17 177.04 3bg5 h THR 1035N 1.03 0.69 -0.72 2.11 2.02 -1.96 -1.45 112.91 114.63 3bg5 h THR 1035Ca -0.51 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.80 3bg5 h THR 1035Cb 1.31 0.69 -0.09 0.00 -1.74 0.00 0.00 68.15 68.32 3bg5 h THR 1035CO 0.56 0.00 0.29 -0.65 0.37 0.00 0.00 175.52 176.09 3bg5 h PRO 1036N -0.08 0.45 -0.50 6.66 0.11 -1.92 -1.64 132.00 135.08 3bg5 h PRO 1036Ca 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3bg5 h PRO 1036Cb 0.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3bg5 h PRO 1036CO -0.25 0.30 0.24 1.15 -0.21 0.00 0.00 178.00 179.23 3bg5 h THR 1037N 0.46 1.20 -0.85 -1.15 2.02 -1.65 -1.71 112.91 111.23 3bg5 h THR 1037Ca 0.38 -0.56 0.10 0.00 0.77 0.00 0.00 66.41 67.11 3bg5 h THR 1037Cb 0.53 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3bg5 h THR 1037CO -0.36 0.22 0.55 0.15 0.37 0.00 0.00 175.52 176.45 3bg5 h PHE 1038N 0.67 0.87 0.00 3.16 3.57 -0.41 0.18 116.94 124.97 3bg5 h PHE 1038Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3bg5 h PHE 1038Cb 0.13 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3bg5 h PHE 1038CO -0.00 0.39 -1.45 1.19 -2.23 0.00 0.00 178.31 176.20 3bg5 n PHE 1039N -4.53 0.52 0.00 0.41 0.99 -0.70 -4.68 117.46 109.48 3bg5 n PHE 1039Ca 0.15 0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.75 3bg5 n PHE 1039Cb 0.34 -0.74 0.00 0.00 -1.00 0.00 0.00 39.48 38.08 3bg5 n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3bg5 n PHE 1040N -2.47 0.00 -1.24 1.38 3.01 -0.65 -4.49 117.46 112.99 3bg5 n PHE 1040Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3bg5 n PHE 1040Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3bg5 n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 1041N 1.88 0.58 2.99 1.37 0.00 0.61 -3.97 105.19 108.65 3bg5 n GLY 1041Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 3bg5 n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bg5 s MET 1042N 0.00 0.20 0.33 1.61 -1.94 -1.26 -4.45 119.30 113.78 3bg5 s MET 1042Ca 0.00 -0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.85 3bg5 s MET 1042Cb 0.00 0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.88 3bg5 s MET 1042CO 0.00 -0.04 0.59 -0.98 -0.01 0.00 0.00 175.02 174.58 3bg5 s ARG 1043N -0.44 3.59 0.10 2.03 1.70 -1.26 -4.92 118.95 119.74 3bg5 s ARG 1043Ca -0.05 -0.03 -0.35 0.00 -0.47 0.00 0.00 55.73 54.83 3bg5 s ARG 1043Cb -0.03 -2.61 -0.15 0.00 -0.57 0.00 0.00 34.95 31.59 3bg5 s ARG 1043CO 0.00 0.14 1.54 0.09 -1.08 0.00 0.00 175.30 175.99 3bg5 n ASN 1044N -1.31 2.64 0.00 -2.89 5.03 -1.26 -1.44 115.26 116.03 3bg5 n ASN 1044Ca -0.02 1.08 0.00 0.00 0.87 0.00 0.00 54.58 56.51 3bg5 n ASN 1044Cb 0.55 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 3bg5 n ASN 1044CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 1045N 3.26 1.29 3.79 7.41 0.00 0.70 -5.04 105.19 116.61 3bg5 n GLY 1045Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3bg5 n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bg5 s GLU 1046N -0.41 4.42 -0.10 1.61 2.12 -0.52 -4.82 118.70 121.01 3bg5 s GLU 1046Ca 0.00 1.30 0.03 0.00 0.36 0.00 0.00 54.97 56.65 3bg5 s GLU 1046Cb 0.00 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 3bg5 s GLU 1046CO 0.00 0.13 -0.18 0.99 -0.54 0.00 0.00 175.26 175.66 3bg5 s THR 1047N -1.78 2.65 0.11 -1.70 2.01 -1.26 -2.07 115.64 113.61 3bg5 s THR 1047Ca 0.55 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.78 3bg5 s THR 1047Cb -0.16 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3bg5 s THR 1047CO 0.21 0.55 -0.14 0.54 -0.69 0.00 0.00 174.62 175.09 3bg5 s VAL 1048N 0.07 1.30 -0.38 3.82 0.11 -0.14 -4.98 120.40 120.20 3bg5 s VAL 1048Ca -0.07 -1.66 0.03 0.00 -2.93 0.00 0.00 61.98 57.34 3bg5 s VAL 1048Cb -0.15 -1.47 0.11 0.00 -1.53 0.00 0.00 36.38 33.34 3bg5 s VAL 1048CO 0.05 -0.39 0.13 -1.61 -3.33 0.00 0.00 175.10 169.95 3bg5 s GLU 1049N -2.54 1.35 -0.43 1.54 2.02 -1.26 -1.06 118.70 118.32 3bg5 s GLU 1049Ca 0.07 -1.84 -0.29 0.00 0.02 0.00 0.00 54.97 52.94 3bg5 s GLU 1049Cb -0.06 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.40 3bg5 s GLU 1049CO 0.03 -1.02 1.12 0.42 0.02 0.00 0.00 175.26 175.83 3bg5 s ILE 1050N 0.78 4.30 -0.63 -1.63 1.09 -0.24 -4.87 121.20 120.00 3bg5 s ILE 1050Ca 0.13 1.36 -0.27 0.00 -1.10 0.00 0.00 60.65 60.77 3bg5 s ILE 1050Cb -0.21 -4.55 0.01 0.00 -1.06 0.00 0.00 42.46 36.65 3bg5 s ILE 1050CO -0.10 -0.86 1.49 -0.70 -0.10 0.00 0.00 174.94 174.67 3bg5 s GLU 1051N 4.22 3.10 0.07 2.79 2.56 -1.26 -0.82 118.70 129.36 3bg5 s GLU 1051Ca 0.47 0.28 -0.13 0.00 0.00 0.00 0.00 54.97 55.60 3bg5 s GLU 1051Cb -0.09 -4.21 -0.24 0.00 2.00 0.00 0.00 34.13 31.60 3bg5 s GLU 1051CO 0.27 -2.20 1.17 0.82 -0.56 0.00 0.00 175.26 174.76 3bg5 h ILE 1052N 6.40 1.30 -2.11 -3.70 2.04 -1.54 -3.48 117.51 116.43 3bg5 h ILE 1052Ca -0.27 -2.39 0.22 0.00 1.00 0.00 0.00 64.86 63.41 3bg5 h ILE 1052Cb 1.10 2.54 -0.04 0.00 -0.74 0.00 0.00 36.82 39.67 3bg5 h ILE 1052CO 1.22 0.73 0.62 -0.67 0.00 0.00 0.00 178.15 180.05 3bg5 n ASP 1053N -3.80 -1.12 -4.56 1.72 4.64 -0.84 -5.00 116.55 107.58 3bg5 n ASP 1053Ca -0.11 -1.41 -0.46 0.00 -1.38 0.00 0.00 54.79 51.43 3bg5 n ASP 1053Cb 0.93 1.78 -0.05 0.00 -1.04 0.00 0.00 41.12 42.75 3bg5 n ASP 1053CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3bg5 n LYS 1054N -0.67 1.75 -0.88 -0.67 5.02 -1.26 -1.39 118.16 120.06 3bg5 n LYS 1054Ca 0.01 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3bg5 n LYS 1054Cb 0.46 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 3bg5 n LYS 1054CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bg5 n GLY 1055N 5.79 0.68 3.29 0.72 0.00 -1.26 -4.99 105.19 109.42 3bg5 n GLY 1055Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 3bg5 n GLY 1055CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bg5 s LYS 1056N -0.31 3.27 -0.06 1.61 1.02 -0.48 -5.10 119.74 119.69 3bg5 s LYS 1056Ca 0.00 -0.72 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 3bg5 s LYS 1056Cb 0.00 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 3bg5 s LYS 1056CO 0.00 0.03 0.51 -0.98 -0.92 0.00 0.00 175.35 173.99 3bg5 s ARG 1057N 0.81 0.83 -0.28 1.68 1.70 -1.26 -1.28 118.95 121.16 3bg5 s ARG 1057Ca -0.05 0.17 -0.13 0.00 -0.47 0.00 0.00 55.73 55.25 3bg5 s ARG 1057Cb -0.15 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3bg5 s ARG 1057CO 0.00 -0.23 0.28 -0.51 -1.08 0.00 0.00 175.30 173.76 3bg5 s LEU 1058N -0.99 4.08 -0.27 -1.89 1.43 0.00 -4.94 118.68 116.10 3bg5 s LEU 1058Ca -0.10 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 3bg5 s LEU 1058Cb -0.03 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3bg5 s LEU 1058CO 0.06 -0.13 0.44 -0.63 0.23 0.00 0.00 176.35 176.32 3bg5 s ILE 1059N 1.90 5.12 -0.11 -0.59 -1.09 -1.26 -1.07 121.20 124.10 3bg5 s ILE 1059Ca 0.10 0.71 0.02 0.00 -2.23 0.00 0.00 60.65 59.26 3bg5 s ILE 1059Cb -0.16 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 36.97 3bg5 s ILE 1059CO 0.11 0.12 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.13 3bg5 s ILE 1060N 2.18 1.67 -0.12 2.92 1.01 -0.22 0.91 121.20 129.56 3bg5 s ILE 1060Ca 0.18 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 3bg5 s ILE 1060Cb -0.16 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3bg5 s ILE 1060CO 0.10 0.48 -0.11 -0.75 0.00 0.00 0.00 174.94 174.65 3bg5 s LYS 1061N 0.84 3.27 -0.38 2.79 2.20 0.33 -0.97 119.74 127.81 3bg5 s LYS 1061Ca -0.09 -0.65 -0.16 0.00 -0.36 0.00 0.00 55.97 54.71 3bg5 s LYS 1061Cb -0.15 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.54 3bg5 s LYS 1061CO -0.00 0.30 0.38 -1.17 -0.36 0.00 0.00 175.35 174.51 3bg5 s LEU 1062N 0.13 4.71 -0.11 5.43 0.20 -0.88 -0.46 118.68 127.70 3bg5 s LEU 1062Ca -0.05 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 3bg5 s LEU 1062Cb -0.15 -2.33 -0.01 0.00 -0.43 0.00 0.00 46.19 43.27 3bg5 s LEU 1062CO 0.04 -0.46 -0.05 -0.33 -0.29 0.00 0.00 176.35 175.27 3bg5 h GLU 1063N 8.60 0.00 -3.43 1.98 5.08 -1.09 0.20 114.58 125.92 3bg5 h GLU 1063Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3bg5 h GLU 1063Cb 1.13 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 3bg5 h GLU 1063CO 0.74 0.00 -0.05 0.99 -1.00 0.00 0.00 179.01 179.69 3bg5 s THR 1064N -1.71 0.04 -0.14 1.13 2.01 -1.18 -4.06 115.64 111.72 3bg5 s THR 1064Ca -0.04 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.10 3bg5 s THR 1064Cb 0.01 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.94 3bg5 s THR 1064CO 0.06 -0.18 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.98 3bg5 s ILE 1065N -3.88 2.29 0.81 1.82 1.01 -1.26 -0.62 121.20 121.36 3bg5 s ILE 1065Ca 0.10 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 3bg5 s ILE 1065Cb 0.00 -1.93 0.08 0.00 0.01 0.00 0.00 42.46 40.62 3bg5 s ILE 1065CO -0.03 0.54 1.09 -0.94 0.00 0.00 0.00 174.94 175.59 3bg5 s SER 1066N 0.80 4.21 0.70 3.58 1.04 0.08 -4.97 113.70 119.13 3bg5 s SER 1066Ca -0.07 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 57.88 3bg5 s SER 1066Cb -0.16 -2.37 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3bg5 s SER 1066CO -0.01 -2.20 1.15 -1.61 0.98 0.00 0.00 173.24 171.56 3bg5 s GLU 1067N -4.94 2.47 0.47 4.02 0.41 -1.26 -4.44 118.70 115.43 3bg5 s GLU 1067Ca 0.62 1.54 -0.22 0.00 -0.41 0.00 0.00 54.97 56.50 3bg5 s GLU 1067Cb -0.17 -1.90 -0.07 0.00 -1.78 0.00 0.00 34.13 30.21 3bg5 s GLU 1067CO 0.56 -1.53 1.16 -2.14 -0.49 0.00 0.00 175.26 172.82 3bg5 s PRO 1068N -4.04 3.69 0.21 0.39 0.02 -1.26 -4.59 135.00 129.41 3bg5 s PRO 1068Ca 0.70 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 63.43 3bg5 s PRO 1068Cb -0.24 -2.34 0.05 0.00 0.02 0.00 0.00 34.50 31.99 3bg5 s PRO 1068CO 0.44 -0.60 0.29 -0.40 -0.33 0.00 0.00 177.00 176.39 3bg5 n ASP 1069N -0.63 0.09 -0.28 2.53 3.85 -0.49 -1.27 116.55 120.34 3bg5 n ASP 1069Ca 0.08 -1.14 0.20 0.00 -0.71 0.00 0.00 54.79 53.22 3bg5 n ASP 1069Cb 0.49 -0.21 0.50 0.00 -1.35 0.00 0.00 41.12 40.54 3bg5 n ASP 1069CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3bg5 h GLU 1070N 0.00 0.41 -0.00 0.11 9.09 -1.65 -1.60 114.58 120.94 3bg5 h GLU 1070Ca -0.09 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3bg5 h GLU 1070Cb 0.27 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 3bg5 h GLU 1070CO 0.07 0.27 -0.29 0.09 0.05 0.00 0.00 179.01 179.20 3bg5 n ASN 1071N -4.56 0.63 0.00 3.06 5.03 -1.26 -4.93 115.26 113.23 3bg5 n ASN 1071Ca 0.22 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.21 3bg5 n ASN 1071Cb 0.77 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.61 3bg5 n ASN 1071CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 1072N 1.40 0.77 3.67 7.41 0.00 -0.60 -4.93 105.19 112.91 3bg5 n GLY 1072Ca 0.10 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3bg5 n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 1073N -2.23 6.56 0.05 1.61 0.01 -1.26 0.06 114.94 119.74 3bg5 s ASN 1073Ca 0.00 0.67 -0.05 0.00 -0.71 0.00 0.00 52.86 52.77 3bg5 s ASN 1073Cb 0.00 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 3bg5 s ASN 1073CO 0.00 -0.13 0.29 -0.13 -1.51 0.00 0.00 177.10 175.62 3bg5 s ARG 1074N 1.39 3.58 -0.25 -0.60 0.52 -0.38 -1.40 118.95 121.80 3bg5 s ARG 1074Ca 0.23 -0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.23 3bg5 s ARG 1074Cb -0.15 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 3bg5 s ARG 1074CO 0.09 0.60 0.17 0.99 0.02 0.00 0.00 175.30 177.17 3bg5 s THR 1075N -1.41 5.31 -0.22 0.02 2.01 -1.26 -2.13 115.64 117.96 3bg5 s THR 1075Ca 0.32 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 3bg5 s THR 1075Cb -0.13 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 3bg5 s THR 1075CO 0.19 0.32 0.12 -0.63 -0.69 0.00 0.00 174.62 173.94 3bg5 s ILE 1076N 1.28 5.16 -0.44 1.82 1.01 0.62 -0.74 121.20 129.90 3bg5 s ILE 1076Ca 0.07 0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 3bg5 s ILE 1076Cb -0.14 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.98 3bg5 s ILE 1076CO 0.06 0.39 0.59 -0.31 0.00 0.00 0.00 174.94 175.68 3bg5 s TYR 1077N 0.78 3.09 0.15 3.97 1.51 0.21 -1.25 117.35 125.81 3bg5 s TYR 1077Ca 0.06 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.02 3bg5 s TYR 1077Cb -0.13 -3.24 -0.04 0.00 -0.11 0.00 0.00 41.96 38.44 3bg5 s TYR 1077CO 0.02 -0.84 0.05 0.71 -1.11 0.00 0.00 175.55 174.39 3bg5 s TYR 1078N 2.63 3.00 -0.26 2.71 1.51 0.89 -0.45 117.35 127.39 3bg5 s TYR 1078Ca 0.19 -0.06 -0.06 0.00 -1.01 0.00 0.00 57.07 56.13 3bg5 s TYR 1078Cb -0.15 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 3bg5 s TYR 1078CO 0.17 0.51 0.05 0.00 -1.11 0.00 0.00 175.55 175.17 3bg5 s ALA 1079N -1.65 3.05 -0.45 3.71 0.00 0.39 -0.45 121.76 126.35 3bg5 s ALA 1079Ca 0.29 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 3bg5 s ALA 1079Cb -0.10 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.11 3bg5 s ALA 1079CO 0.20 -0.62 0.31 -1.64 0.00 0.00 0.00 175.76 174.01 3bg5 s MET 1080N 1.55 2.41 0.00 0.00 -1.94 0.13 -0.52 119.30 120.93 3bg5 s MET 1080Ca 0.05 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.29 3bg5 s MET 1080Cb -0.16 -3.85 0.00 0.00 2.01 0.00 0.00 34.83 32.83 3bg5 s MET 1080CO 0.02 -1.15 0.00 0.27 -0.01 0.00 0.00 175.02 174.15 3bg5 n ASN 1081N 4.86 0.00 0.00 3.03 0.23 0.26 -2.48 115.26 121.16 3bg5 n ASN 1081Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 3bg5 n ASN 1081Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 3bg5 n ASN 1081CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bg5 n GLY 1082N 0.18 0.52 2.95 4.83 0.00 -1.26 -5.00 105.19 107.40 3bg5 n GLY 1082Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3bg5 n GLY 1082CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bg5 s GLN 1083N -0.83 1.48 0.38 1.61 0.74 -1.03 -5.12 119.66 116.90 3bg5 s GLN 1083Ca 0.00 -0.29 -0.27 0.00 0.05 0.00 0.00 55.36 54.85 3bg5 s GLN 1083Cb 0.00 -1.41 -0.10 0.00 1.10 0.00 0.00 33.01 32.60 3bg5 s GLN 1083CO 0.00 -0.13 1.42 0.00 -0.55 0.00 0.00 175.29 176.02 3bg5 s ALA 1084N 1.22 3.46 -0.16 1.58 0.00 -1.26 -0.69 121.76 125.89 3bg5 s ALA 1084Ca -0.05 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 3bg5 s ALA 1084Cb -0.14 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.46 3bg5 s ALA 1084CO -0.02 -0.97 0.46 0.50 0.00 0.00 0.00 175.76 175.73 3bg5 s ARG 1085N -2.12 0.56 -0.10 0.00 6.06 0.40 -4.87 118.95 118.88 3bg5 s ARG 1085Ca 0.54 0.60 0.01 0.00 -2.50 0.00 0.00 55.73 54.38 3bg5 s ARG 1085Cb -0.44 0.27 0.02 0.00 0.06 0.00 0.00 34.95 34.86 3bg5 s ARG 1085CO 0.58 -0.08 -0.11 1.03 -2.50 0.00 0.00 175.30 174.22 3bg5 s ARG 1086N 0.15 1.81 0.05 5.12 0.52 -1.26 -0.07 118.95 125.26 3bg5 s ARG 1086Ca -0.01 -0.40 0.09 0.00 -0.52 0.00 0.00 55.73 54.89 3bg5 s ARG 1086Cb -0.03 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.76 3bg5 s ARG 1086CO 0.01 -0.13 -0.25 0.42 0.02 0.00 0.00 175.30 175.37 3bg5 s ILE 1087N 1.21 2.00 -0.14 1.52 -1.09 -0.38 -4.88 121.20 119.44 3bg5 s ILE 1087Ca -0.03 -1.37 0.01 0.00 -2.23 0.00 0.00 60.65 57.02 3bg5 s ILE 1087Cb -0.14 -1.73 -0.00 0.00 -1.58 0.00 0.00 42.46 39.01 3bg5 s ILE 1087CO -0.03 0.28 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.47 3bg5 s TYR 1088N -0.84 2.73 -0.03 3.97 1.51 -1.26 -0.28 117.35 123.15 3bg5 s TYR 1088Ca 0.11 -1.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.16 3bg5 s TYR 1088Cb -0.10 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 3bg5 s TYR 1088CO 0.02 -0.44 -0.07 0.42 -1.11 0.00 0.00 175.55 174.37 3bg5 s ILE 1089N 0.66 0.68 -0.06 2.71 1.09 -0.91 -4.99 121.20 120.38 3bg5 s ILE 1089Ca -0.09 -0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 58.89 3bg5 s ILE 1089Cb -0.16 -0.63 -0.04 0.00 -1.06 0.00 0.00 42.46 40.57 3bg5 s ILE 1089CO 0.02 0.23 1.39 -0.75 -0.10 0.00 0.00 174.94 175.73 3bg5 s LYS 1090N 0.42 4.26 0.16 2.79 2.47 -1.26 -1.25 119.74 127.33 3bg5 s LYS 1090Ca -0.06 1.89 -0.30 0.00 -1.56 0.00 0.00 55.97 55.94 3bg5 s LYS 1090Cb -0.10 -3.70 -0.07 0.00 -1.46 0.00 0.00 37.83 32.49 3bg5 s LYS 1090CO 0.01 -0.65 0.95 0.34 0.16 0.00 0.00 175.35 176.16 3bg5 s ASP 1091N 2.14 7.56 -1.10 1.43 -1.08 0.11 -4.93 116.67 120.80 3bg5 s ASP 1091Ca 0.62 1.86 -0.08 0.00 -0.52 0.00 0.00 52.55 54.44 3bg5 s ASP 1091Cb -0.28 -2.60 0.28 0.00 -1.46 0.00 0.00 42.92 38.86 3bg5 s ASP 1091CO 0.23 0.03 1.14 -0.62 0.52 0.00 0.00 175.17 176.47 3bg5 n GLU 1092N 2.25 3.60 -0.01 4.34 1.02 -1.26 -4.87 120.64 125.71 3bg5 n GLU 1092Ca 0.01 -4.48 -0.00 0.00 -0.02 0.00 0.00 57.16 52.67 3bg5 n GLU 1092Cb 0.48 -2.53 0.29 0.00 -0.02 0.00 0.00 31.44 29.66 3bg5 n GLU 1092CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3bg5 h ASN 1093N 6.42 0.50 -2.87 1.62 2.35 -1.94 -3.48 115.58 118.19 3bg5 h ASN 1093Ca 0.18 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3bg5 h ASN 1093Cb 0.83 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3bg5 h ASN 1093CO 1.05 0.58 0.00 0.52 -1.65 0.00 0.00 177.43 177.93 3bg5 n VAL 1094N -4.27 -2.49 -4.21 2.81 0.31 -1.26 -4.99 118.33 104.23 3bg5 n VAL 1094Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 3bg5 n VAL 1094Cb 0.25 -3.53 -0.01 0.00 -0.91 0.00 0.00 33.84 29.64 3bg5 n VAL 1094CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3bg5 n HIS 1095N 0.03 -2.31 -2.46 3.52 8.25 -1.26 -4.64 115.22 116.34 3bg5 n HIS 1095Ca 0.00 0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 57.63 3bg5 n HIS 1095Cb 0.00 -0.43 0.02 0.00 1.12 0.00 0.00 29.99 30.70 3bg5 n HIS 1095CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3bg5 n THR 1096N -2.41 1.95 0.90 1.59 -2.24 -1.26 -4.85 114.28 107.96 3bg5 n THR 1096Ca 0.00 -4.09 0.12 0.00 -2.27 0.00 0.00 64.05 57.82 3bg5 n THR 1096Cb 0.13 -0.47 0.27 0.00 -2.10 0.00 0.00 70.33 68.16 3bg5 n THR 1096CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3bg5 n ASN 1097N -0.45 0.49 -0.07 3.42 2.04 -1.26 -3.70 115.26 115.73 3bg5 n ASN 1097Ca 0.29 -0.09 0.12 0.00 -0.44 0.00 0.00 54.58 54.47 3bg5 n ASN 1097Cb 0.78 0.15 0.29 0.00 -2.53 0.00 0.00 39.78 38.48 3bg5 n ASN 1097CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3bg5 n ALA 1098N -1.57 3.40 -2.18 -2.53 0.00 -1.26 -4.89 120.51 111.48 3bg5 n ALA 1098Ca 0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3bg5 n ALA 1098Cb 0.36 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 3bg5 n ALA 1098CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3bg5 s ASN 1099N -2.86 6.81 -0.19 0.00 0.02 -1.24 -4.51 114.94 112.98 3bg5 s ASN 1099Ca 0.15 2.14 -0.20 0.00 -1.02 0.00 0.00 52.86 53.92 3bg5 s ASN 1099Cb 0.18 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 3bg5 s ASN 1099CO 0.65 -0.76 0.60 -0.69 0.02 0.00 0.00 177.10 176.92 3bg5 s VAL 1100N 2.63 5.05 0.04 1.60 1.01 -0.40 -4.87 120.40 125.46 3bg5 s VAL 1100Ca 0.65 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 63.64 3bg5 s VAL 1100Cb -0.32 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 3bg5 s VAL 1100CO 0.27 0.15 0.41 -0.54 0.00 0.00 0.00 175.10 175.38 3bg5 s LYS 1101N 1.71 3.85 0.65 2.72 -0.14 -1.26 -1.64 119.74 125.63 3bg5 s LYS 1101Ca 0.28 0.32 -0.16 0.00 -1.36 0.00 0.00 55.97 55.04 3bg5 s LYS 1101Cb -0.16 -3.11 -0.00 0.00 -1.68 0.00 0.00 37.83 32.88 3bg5 s LYS 1101CO 0.11 0.63 1.16 -1.25 -0.76 0.00 0.00 175.35 175.24 3bg5 s PRO 1102N -1.45 2.70 0.06 -1.68 0.04 -1.26 -4.84 135.00 128.57 3bg5 s PRO 1102Ca 0.28 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 3bg5 s PRO 1102Cb -0.15 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3bg5 s PRO 1102CO 0.15 -1.37 0.93 0.15 0.04 0.00 0.00 177.00 176.90 3bg5 s LYS 1103N -3.79 4.62 0.16 4.56 -0.14 -1.26 -1.60 119.74 122.28 3bg5 s LYS 1103Ca 0.72 1.36 -0.31 0.00 -1.36 0.00 0.00 55.97 56.38 3bg5 s LYS 1103Cb -0.25 -3.40 -0.10 0.00 -1.68 0.00 0.00 37.83 32.40 3bg5 s LYS 1103CO 0.39 0.15 1.59 0.00 -0.76 0.00 0.00 175.35 176.72 3bg5 s ALA 1104N 0.29 3.78 -0.22 5.17 0.00 -0.69 -4.72 121.76 125.37 3bg5 s ALA 1104Ca 0.47 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 3bg5 s ALA 1104Cb -0.22 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 3bg5 s ALA 1104CO 0.28 -0.83 1.46 0.34 0.00 0.00 0.00 175.76 177.01 3bg5 s ASP 1105N 1.33 6.60 0.36 0.00 2.15 -1.26 -4.92 116.67 120.93 3bg5 s ASP 1105Ca 0.71 1.58 0.10 0.00 0.43 0.00 0.00 52.55 55.37 3bg5 s ASP 1105Cb -0.44 -2.54 0.69 0.00 -0.30 0.00 0.00 42.92 40.34 3bg5 s ASP 1105CO 0.31 -1.08 1.83 0.11 -0.17 0.00 0.00 175.17 176.18 3bg5 h LYS 1106N 9.72 0.13 -1.16 4.34 1.57 -1.94 -2.98 116.57 126.25 3bg5 h LYS 1106Ca -0.31 -0.04 -0.46 0.00 -1.87 0.00 0.00 60.65 57.97 3bg5 h LYS 1106Cb 1.13 -0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.21 3bg5 h LYS 1106CO 1.00 0.42 0.59 -1.13 -0.57 0.00 0.00 179.45 179.76 3bg5 n SER 1107N -4.14 5.78 -3.78 0.86 3.41 -1.26 -4.80 113.62 109.69 3bg5 n SER 1107Ca -0.01 -3.34 -0.26 0.00 -0.26 0.00 0.00 58.87 55.00 3bg5 n SER 1107Cb 0.37 -0.92 -0.17 0.00 -0.26 0.00 0.00 64.21 63.24 3bg5 n SER 1107CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3bg5 s ASN 1108N -0.78 2.32 0.60 4.04 0.01 -1.13 -5.03 114.94 114.97 3bg5 s ASN 1108Ca 0.46 -0.47 0.38 0.00 -0.71 0.00 0.00 52.86 52.52 3bg5 s ASN 1108Cb 0.37 -0.60 1.79 0.00 0.41 0.00 0.00 41.25 43.22 3bg5 s ASN 1108CO 0.03 -0.23 2.14 -0.65 -1.51 0.00 0.00 177.10 176.87 3bg5 h PRO 1109N 8.26 0.00 -0.54 -0.60 0.11 -1.88 -1.87 132.00 135.48 3bg5 h PRO 1109Ca -0.20 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.84 3bg5 h PRO 1109Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3bg5 h PRO 1109CO 0.32 0.00 0.04 0.77 -0.21 0.00 0.00 178.00 178.93 3bg5 h SER 1110N 0.00 0.84 -3.31 -2.05 0.02 -1.95 -3.44 113.55 103.67 3bg5 h SER 1110Ca -0.00 -0.20 -0.57 0.00 -0.84 0.00 0.00 61.79 60.18 3bg5 h SER 1110Cb 0.31 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 3bg5 h SER 1110CO 0.00 0.88 0.38 -1.00 -1.14 0.00 0.00 176.83 175.95 3bg5 s HIS 1111N -5.06 3.47 -0.21 3.45 3.76 -0.70 -1.58 115.29 118.41 3bg5 s HIS 1111Ca -0.10 1.33 -0.07 0.00 -0.15 0.00 0.00 55.06 56.07 3bg5 s HIS 1111Cb 0.15 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 3bg5 s HIS 1111CO 0.82 -0.19 0.06 0.42 -0.85 0.00 0.00 174.74 175.00 3bg5 s ILE 1112N 1.91 4.53 0.15 0.60 1.01 0.27 -4.88 121.20 124.78 3bg5 s ILE 1112Ca 0.40 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.98 3bg5 s ILE 1112Cb -0.17 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3bg5 s ILE 1112CO 0.15 0.41 0.13 -0.83 0.00 0.00 0.00 174.94 174.80 3bg5 s GLY 1113N 0.91 1.77 0.14 6.18 0.00 -1.26 -1.30 107.32 113.76 3bg5 s GLY 1113Ca 0.03 -1.16 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 3bg5 s GLY 1113CO 0.03 -1.17 1.44 0.00 0.00 0.00 0.00 173.10 173.40 3bg5 s ALA 1114N -1.68 3.64 -0.05 3.20 0.00 0.21 -4.87 121.76 122.21 3bg5 s ALA 1114Ca 0.31 1.20 0.13 0.00 0.00 0.00 0.00 51.96 53.60 3bg5 s ALA 1114Cb -0.11 -3.56 -0.21 0.00 0.00 0.00 0.00 23.12 19.24 3bg5 s ALA 1114CO 0.23 -0.66 0.73 1.96 0.00 0.00 0.00 175.76 178.02 3bg5 h GLN 1115N 6.63 0.00 -4.34 0.00 7.50 -1.90 0.37 115.11 123.38 3bg5 h GLN 1115Ca -0.43 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.57 3bg5 h GLN 1115Cb 1.21 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.59 3bg5 h GLN 1115CO 0.87 0.49 -0.66 -1.64 -1.50 0.00 0.00 178.83 176.39 3bg5 s MET 1116N -2.66 0.79 -0.15 1.46 -1.94 -1.26 -4.81 119.30 110.72 3bg5 s MET 1116Ca -0.04 -1.34 -0.29 0.00 -1.71 0.00 0.00 55.69 52.31 3bg5 s MET 1116Cb 0.08 0.23 -0.03 0.00 2.01 0.00 0.00 34.83 37.12 3bg5 s MET 1116CO 0.82 -0.20 1.52 -2.14 -0.01 0.00 0.00 175.02 175.01 3bg5 s PRO 1117N -3.99 4.05 0.00 2.03 0.02 -1.26 -4.04 135.00 131.81 3bg5 s PRO 1117Ca 0.17 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3bg5 s PRO 1117Cb 0.08 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.66 3bg5 s PRO 1117CO -0.03 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 3bg5 n GLY 1118N 4.17 4.30 3.00 0.52 0.00 -1.10 -4.69 105.19 111.38 3bg5 n GLY 1118Ca 0.17 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 3bg5 n GLY 1118CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bg5 s SER 1119N 0.17 1.24 -0.42 1.61 0.01 -0.54 -1.52 113.70 114.25 3bg5 s SER 1119Ca 0.00 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 56.78 3bg5 s SER 1119Cb 0.00 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.86 3bg5 s SER 1119CO 0.00 0.06 1.52 -0.69 0.41 0.00 0.00 173.24 174.54 3bg5 s VAL 1120N 0.27 3.77 -0.03 3.43 1.01 0.85 -0.21 120.40 129.49 3bg5 s VAL 1120Ca -0.04 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3bg5 s VAL 1120Cb -0.09 -4.09 -0.29 0.00 0.00 0.00 0.00 36.38 31.91 3bg5 s VAL 1120CO 0.01 -0.74 0.73 0.74 0.00 0.00 0.00 175.10 175.84 3bg5 h THR 1121N 6.56 1.00 -2.32 3.92 2.02 -0.87 1.56 112.91 124.77 3bg5 h THR 1121Ca -0.29 -2.64 -0.08 0.00 0.77 0.00 0.00 66.41 64.18 3bg5 h THR 1121Cb 1.12 2.73 -0.27 0.00 -1.74 0.00 0.00 68.15 69.99 3bg5 h THR 1121CO 1.09 0.83 -0.35 -0.70 0.37 0.00 0.00 175.52 176.76 3bg5 s GLU 1122N -2.60 0.36 -0.04 6.66 2.12 -0.94 -4.57 118.70 119.70 3bg5 s GLU 1122Ca -0.13 1.03 -0.24 0.00 0.36 0.00 0.00 54.97 55.99 3bg5 s GLU 1122Cb 0.06 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 3bg5 s GLU 1122CO 0.85 -0.30 0.73 0.54 -0.54 0.00 0.00 175.26 176.53 3bg5 s VAL 1123N 2.65 4.97 -0.09 3.70 0.11 -1.26 -1.18 120.40 129.29 3bg5 s VAL 1123Ca 0.00 1.51 0.03 0.00 -2.93 0.00 0.00 61.98 60.60 3bg5 s VAL 1123Cb -0.13 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 3bg5 s VAL 1123CO -0.14 0.28 0.11 0.29 -3.33 0.00 0.00 175.10 172.31 3bg5 n LYS 1124N 3.53 3.44 -4.22 1.54 5.02 -1.09 -5.01 118.16 121.37 3bg5 n LYS 1124Ca -0.01 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 3bg5 n LYS 1124Cb 0.51 -0.83 -0.11 0.00 -0.02 0.00 0.00 35.03 34.57 3bg5 n LYS 1124CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3bg5 s VAL 1125N -1.70 1.29 0.41 -0.18 -7.23 -1.19 -4.97 120.40 106.82 3bg5 s VAL 1125Ca 0.00 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 3bg5 s VAL 1125Cb 0.02 -1.40 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 3bg5 s VAL 1125CO 0.13 -0.34 0.01 -0.55 -0.31 0.00 0.00 175.10 174.05 3bg5 s SER 1126N -2.21 3.76 -0.07 4.85 0.15 -1.26 -4.97 113.70 113.95 3bg5 s SER 1126Ca 0.06 -1.38 -0.29 0.00 0.70 0.00 0.00 55.95 55.03 3bg5 s SER 1126Cb -0.07 -0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 63.84 3bg5 s SER 1126CO 0.03 -0.48 1.87 -0.69 1.20 0.00 0.00 173.24 175.16 3bg5 s VAL 1127N -2.77 3.28 0.00 4.45 1.01 -1.26 -3.22 120.40 121.89 3bg5 s VAL 1127Ca 0.34 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3bg5 s VAL 1127Cb 0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3bg5 s VAL 1127CO 0.17 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3bg5 n GLY 1128N 4.65 1.45 3.78 4.51 0.00 -0.58 -5.06 105.19 113.93 3bg5 n GLY 1128Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3bg5 n GLY 1128CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bg5 s GLU 1129N -0.27 2.82 -0.13 1.61 2.02 -1.20 -4.91 118.70 118.65 3bg5 s GLU 1129Ca 0.00 -0.97 -0.02 0.00 0.02 0.00 0.00 54.97 54.01 3bg5 s GLU 1129Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 34.13 31.70 3bg5 s GLU 1129CO 0.00 0.46 0.01 0.99 0.02 0.00 0.00 175.26 176.73 3bg5 s THR 1130N -1.87 0.52 0.18 3.63 2.01 -1.26 -1.69 115.64 117.16 3bg5 s THR 1130Ca 0.31 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.10 3bg5 s THR 1130Cb -0.09 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 3bg5 s THR 1130CO 0.23 0.06 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 3bg5 s VAL 1131N 1.89 0.89 1.25 3.82 1.01 -1.26 -5.08 120.40 122.92 3bg5 s VAL 1131Ca 0.02 -2.01 -0.16 0.00 0.00 0.00 0.00 61.98 59.83 3bg5 s VAL 1131Cb -0.14 -2.08 0.30 0.00 0.00 0.00 0.00 36.38 34.45 3bg5 s VAL 1131CO -0.07 -0.53 0.85 0.29 0.00 0.00 0.00 175.10 175.64 3bg5 n LYS 1132N -0.26 -2.99 -1.85 2.72 4.01 -1.26 -4.24 118.16 114.28 3bg5 n LYS 1132Ca -0.07 -0.86 -0.40 0.00 -0.51 0.00 0.00 58.31 56.47 3bg5 n LYS 1132Cb 0.63 -2.04 0.01 0.00 -0.51 0.00 0.00 35.03 33.11 3bg5 n LYS 1132CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3bg5 s ALA 1133N -2.31 3.33 -0.00 7.82 0.00 -1.25 -2.63 121.76 126.72 3bg5 s ALA 1133Ca 0.66 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3bg5 s ALA 1133Cb -0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3bg5 s ALA 1133CO 0.64 -1.08 0.00 0.09 0.00 0.00 0.00 175.76 175.40 3bg5 n ASN 1134N 0.05 -3.61 -4.68 0.00 3.02 -0.81 -4.98 115.26 104.25 3bg5 n ASN 1134Ca 0.04 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.13 3bg5 n ASN 1134Cb 0.41 -1.11 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 3bg5 n ASN 1134CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bg5 n GLN 1135N -2.19 2.38 -2.05 3.52 10.64 -1.08 -4.59 117.38 124.00 3bg5 n GLN 1135Ca -0.00 0.87 -0.36 0.00 -1.83 0.00 0.00 57.00 55.67 3bg5 n GLN 1135Cb 0.10 -2.72 -0.03 0.00 -0.86 0.00 0.00 30.24 26.73 3bg5 n GLN 1135CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3bg5 s PRO 1136N 3.07 2.62 -0.02 2.61 0.04 -1.26 -2.83 135.00 139.24 3bg5 s PRO 1136Ca 0.87 0.40 0.21 0.00 0.04 0.00 0.00 61.00 62.52 3bg5 s PRO 1136Cb -0.62 -4.53 -0.28 0.00 0.04 0.00 0.00 34.50 29.12 3bg5 s PRO 1136CO 0.44 -2.85 0.64 1.47 0.04 0.00 0.00 177.00 176.74 3bg5 n LEU 1137N 12.93 0.42 -3.67 -3.56 -0.00 -0.86 -4.84 117.00 117.42 3bg5 n LEU 1137Ca 0.24 -0.22 -0.12 0.00 -0.00 0.00 0.00 56.01 55.92 3bg5 n LEU 1137Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.84 3bg5 n LEU 1137CO 0.69 0.10 0.25 -0.22 -0.00 0.00 0.00 177.39 178.21 3bg5 s LEU 1138N -3.81 -0.34 -0.29 1.47 2.96 -1.23 -2.66 118.68 114.78 3bg5 s LEU 1138Ca -0.01 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 3bg5 s LEU 1138Cb 0.14 1.96 0.05 0.00 0.50 0.00 0.00 46.19 48.85 3bg5 s LEU 1138CO 0.86 -0.21 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.02 3bg5 s ILE 1139N 0.76 2.81 0.24 6.68 1.01 -0.33 0.02 121.20 132.39 3bg5 s ILE 1139Ca -0.04 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.23 3bg5 s ILE 1139Cb -0.05 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3bg5 s ILE 1139CO -0.06 -0.07 0.38 0.42 0.00 0.00 0.00 174.94 175.61 3bg5 s THR 1140N 1.22 5.24 -0.30 2.92 -4.23 -0.95 -0.17 115.64 119.37 3bg5 s THR 1140Ca -0.06 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 3bg5 s THR 1140Cb -0.20 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 69.89 3bg5 s THR 1140CO -0.02 -0.33 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.02 3bg5 s GLU 1141N -3.91 1.69 0.00 3.99 2.12 0.71 -2.37 118.70 120.92 3bg5 s GLU 1141Ca 0.35 -1.56 0.00 0.00 0.36 0.00 0.00 54.97 54.12 3bg5 s GLU 1141Cb -0.09 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.33 3bg5 s GLU 1141CO 0.30 -0.79 0.63 0.00 -0.54 0.00 0.00 175.26 174.86 3bg5 n ALA 1142N 4.39 -0.17 -3.30 6.30 0.00 0.24 -1.47 120.51 126.52 3bg5 n ALA 1142Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 3bg5 n ALA 1142Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 3bg5 n ALA 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bg5 s MET 1143N -1.61 0.75 0.00 0.00 0.00 -1.26 -4.50 119.30 112.68 3bg5 s MET 1143Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 55.69 54.51 3bg5 s MET 1143Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 34.83 34.02 3bg5 s MET 1143CO 0.00 -1.26 0.00 1.63 0.00 0.00 0.00 175.02 175.39 3bg5 n LYS 1144N 3.76 0.00 -4.25 3.16 5.02 -1.26 -4.98 118.16 119.60 3bg5 n LYS 1144Ca 0.16 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 3bg5 n LYS 1144Cb 0.47 -3.38 -0.09 0.00 -0.02 0.00 0.00 35.03 32.01 3bg5 n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3bg5 s MET 1145N -0.33 2.59 -0.10 1.97 -1.94 -1.26 -5.12 119.30 115.10 3bg5 s MET 1145Ca 0.00 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 3bg5 s MET 1145Cb 0.00 -2.56 0.01 0.00 2.01 0.00 0.00 34.83 34.30 3bg5 s MET 1145CO 0.00 0.58 -0.17 -2.00 -0.01 0.00 0.00 175.02 173.41 3bg5 s GLU 1146N -1.88 2.41 -0.02 2.03 2.12 -1.26 -0.59 118.70 121.51 3bg5 s GLU 1146Ca 0.22 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.93 3bg5 s GLU 1146Cb -0.11 -1.97 -0.00 0.00 0.26 0.00 0.00 34.13 32.31 3bg5 s GLU 1146CO 0.13 0.01 -0.11 0.95 -0.54 0.00 0.00 175.26 175.70 3bg5 s THR 1147N 0.78 0.93 0.14 -1.70 -4.23 -1.00 -5.02 115.64 105.54 3bg5 s THR 1147Ca -0.10 -0.45 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 3bg5 s THR 1147Cb -0.16 -0.81 -0.07 0.00 1.34 0.00 0.00 72.50 72.81 3bg5 s THR 1147CO 0.01 0.28 0.87 0.42 -0.54 0.00 0.00 174.62 175.66 3bg5 s THR 1148N 0.06 4.42 -0.15 3.99 -4.23 -1.26 -2.23 115.64 116.23 3bg5 s THR 1148Ca -0.01 1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 62.20 3bg5 s THR 1148Cb -0.08 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 3bg5 s THR 1148CO 0.01 0.42 0.54 -0.63 -0.54 0.00 0.00 174.62 174.41 3bg5 s ILE 1149N -0.56 5.12 0.10 2.99 1.01 0.10 -5.00 121.20 124.97 3bg5 s ILE 1149Ca 0.41 1.04 0.05 0.00 0.00 0.00 0.00 60.65 62.15 3bg5 s ILE 1149Cb -0.23 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3bg5 s ILE 1149CO 0.28 0.23 0.01 -1.10 0.00 0.00 0.00 174.94 174.37 3bg5 s GLN 1150N 1.18 2.57 0.18 2.79 -0.21 -1.26 -2.03 119.66 122.88 3bg5 s GLN 1150Ca 0.27 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.49 3bg5 s GLN 1150Cb -0.16 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.24 3bg5 s GLN 1150CO 0.11 0.53 1.13 0.00 -2.12 0.00 0.00 175.29 174.93 3bg5 s ALA 1151N -1.39 3.39 -0.30 6.09 0.00 -1.13 -4.93 121.76 123.49 3bg5 s ALA 1151Ca 0.26 0.85 0.28 0.00 0.00 0.00 0.00 51.96 53.35 3bg5 s ALA 1151Cb -0.11 -3.37 0.95 0.00 0.00 0.00 0.00 23.12 20.59 3bg5 s ALA 1151CO 0.19 -0.26 1.80 -1.35 0.00 0.00 0.00 175.76 176.14 3bg5 h PRO 1152N 5.17 0.00 0.00 0.00 0.11 -1.95 -2.16 132.00 133.17 3bg5 h PRO 1152Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3bg5 h PRO 1152Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3bg5 h PRO 1152CO 0.73 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.49 3bg5 n PHE 1153N -2.75 -0.54 -3.35 0.65 1.16 -1.26 -4.85 117.46 106.52 3bg5 n PHE 1153Ca 0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.27 3bg5 n PHE 1153Cb 0.36 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.17 3bg5 n PHE 1153CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3bg5 s ASP 1154N -0.65 6.72 0.00 5.98 -0.00 -1.26 -3.83 116.67 123.63 3bg5 s ASP 1154Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 52.55 53.59 3bg5 s ASP 1154Cb 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 42.92 40.65 3bg5 s ASP 1154CO 0.00 -0.04 0.00 0.61 -0.00 0.00 0.00 175.17 175.74 3bg5 n GLY 1155N 0.14 -1.78 3.40 0.21 0.00 -1.25 -4.81 105.19 101.09 3bg5 n GLY 1155Ca -0.01 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3bg5 n GLY 1155CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bg5 s VAL 1156N -2.67 3.49 -0.26 1.61 -7.23 -1.25 -4.07 120.40 110.02 3bg5 s VAL 1156Ca 0.00 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 3bg5 s VAL 1156Cb 0.00 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3bg5 s VAL 1156CO 0.00 0.48 1.58 -0.63 -0.31 0.00 0.00 175.10 176.22 3bg5 s ILE 1157N 0.74 3.74 -0.08 -0.62 1.01 -0.68 -2.31 121.20 122.99 3bg5 s ILE 1157Ca -0.03 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.26 3bg5 s ILE 1157Cb -0.15 -3.80 -0.29 0.00 0.01 0.00 0.00 42.46 38.23 3bg5 s ILE 1157CO 0.02 -0.38 0.66 0.50 0.00 0.00 0.00 174.94 175.74 3bg5 h LYS 1158N 10.86 0.28 -3.09 2.79 1.63 -1.07 -1.55 116.57 126.42 3bg5 h LYS 1158Ca -0.32 -0.47 -0.14 0.00 -0.85 0.00 0.00 60.65 58.87 3bg5 h LYS 1158Cb 1.14 0.18 -0.23 0.00 -0.60 0.00 0.00 32.23 32.72 3bg5 h LYS 1158CO 1.02 1.23 -0.36 1.14 -3.45 0.00 0.00 179.45 179.02 3bg5 s GLN 1159N -2.47 0.46 -0.23 1.90 -2.07 -1.22 -4.73 119.66 111.30 3bg5 s GLN 1159Ca -0.18 0.11 0.02 0.00 -1.82 0.00 0.00 55.36 53.49 3bg5 s GLN 1159Cb 0.04 0.21 0.05 0.00 -1.09 0.00 0.00 33.01 32.21 3bg5 s GLN 1159CO 0.79 -0.10 -0.12 0.08 -1.32 0.00 0.00 175.29 174.62 3bg5 s VAL 1160N -0.52 1.99 -1.58 3.63 1.01 -1.26 -1.87 120.40 121.80 3bg5 s VAL 1160Ca -0.06 -1.33 0.30 0.00 0.00 0.00 0.00 61.98 60.89 3bg5 s VAL 1160Cb -0.04 -2.04 0.56 0.00 0.00 0.00 0.00 36.38 34.86 3bg5 s VAL 1160CO 0.02 0.13 2.01 0.41 0.00 0.00 0.00 175.10 177.67 3bg5 n THR 1161N 4.54 0.00 -4.29 3.92 -1.04 -0.16 -4.91 114.28 112.35 3bg5 n THR 1161Ca -0.16 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 3bg5 n THR 1161Cb 0.45 -0.36 -0.10 0.00 -1.82 0.00 0.00 70.33 68.50 3bg5 n THR 1161CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3bg5 s VAL 1162N -2.46 1.17 0.33 12.58 -7.23 -1.26 -4.90 120.40 118.62 3bg5 s VAL 1162Ca 0.31 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 3bg5 s VAL 1162Cb 0.20 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 3bg5 s VAL 1162CO 0.45 -0.55 -0.02 0.20 -0.31 0.00 0.00 175.10 174.87 3bg5 s ASN 1163N -3.24 3.01 0.22 4.85 0.01 -1.26 -5.02 114.94 113.51 3bg5 s ASN 1163Ca 0.22 -1.28 -0.32 0.00 -0.71 0.00 0.00 52.86 50.77 3bg5 s ASN 1163Cb 0.04 -0.22 -0.14 0.00 0.41 0.00 0.00 41.25 41.34 3bg5 s ASN 1163CO 0.05 -0.42 1.41 0.59 -1.51 0.00 0.00 177.10 177.22 3bg5 n ASN 1164N -0.72 2.67 -0.47 -1.22 4.13 -1.26 -2.46 115.26 115.94 3bg5 n ASN 1164Ca -0.04 1.13 -0.06 0.00 1.68 0.00 0.00 54.58 57.29 3bg5 n ASN 1164Cb 0.65 -1.41 -0.02 0.00 -1.54 0.00 0.00 39.78 37.46 3bg5 n ASN 1164CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bg5 n GLY 1165N 2.31 0.72 3.80 7.41 0.00 0.53 -4.96 105.19 115.01 3bg5 n GLY 1165Ca 0.13 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3bg5 n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bg5 s ASP 1166N -2.91 6.75 0.36 1.61 1.01 -1.03 -4.79 116.67 117.68 3bg5 s ASP 1166Ca 0.00 0.90 -0.26 0.00 0.71 0.00 0.00 52.55 53.90 3bg5 s ASP 1166Cb 0.00 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.59 3bg5 s ASP 1166CO 0.00 0.24 1.09 0.42 0.21 0.00 0.00 175.17 177.12 3bg5 s THR 1167N -0.58 3.54 0.10 -1.27 -4.23 -1.26 -0.10 115.64 111.83 3bg5 s THR 1167Ca 0.24 1.31 0.05 0.00 -1.18 0.00 0.00 61.69 62.11 3bg5 s THR 1167Cb -0.16 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 3bg5 s THR 1167CO 0.12 0.14 -0.14 0.27 -0.54 0.00 0.00 174.62 174.47 3bg5 s ILE 1168N -1.45 1.22 0.15 2.99 -4.36 -0.58 -4.92 121.20 114.25 3bg5 s ILE 1168Ca 0.53 -1.55 0.10 0.00 -0.26 0.00 0.00 60.65 59.47 3bg5 s ILE 1168Cb -0.27 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3bg5 s ILE 1168CO 0.34 -0.35 -0.23 0.00 0.24 0.00 0.00 174.94 174.94 3bg5 s ALA 1169N -1.83 2.54 -0.06 2.27 0.00 -1.26 -2.72 121.76 120.71 3bg5 s ALA 1169Ca 0.04 -1.49 -0.39 0.00 0.00 0.00 0.00 51.96 50.13 3bg5 s ALA 1169Cb -0.07 -0.46 -0.17 0.00 0.00 0.00 0.00 23.12 22.42 3bg5 s ALA 1169CO 0.02 0.52 1.44 2.41 0.00 0.00 0.00 175.76 180.15 3bg5 n THR 1170N 0.65 0.09 -0.59 0.00 -1.04 -1.26 -1.24 114.28 110.88 3bg5 n THR 1170Ca -0.15 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3bg5 n THR 1170Cb 0.54 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 3bg5 n THR 1170CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bg5 n GLY 1171N 2.95 0.79 3.73 3.41 0.00 0.13 -4.95 105.19 111.24 3bg5 n GLY 1171Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3bg5 n GLY 1171CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bg5 s ASP 1172N -2.90 6.85 0.22 1.61 -0.00 -0.37 -1.70 116.67 120.37 3bg5 s ASP 1172Ca 0.00 2.40 -0.30 0.00 -0.00 0.00 0.00 52.55 54.65 3bg5 s ASP 1172Cb 0.00 -2.60 -0.10 0.00 -0.00 0.00 0.00 42.92 40.22 3bg5 s ASP 1172CO 0.00 -0.59 1.44 -0.22 -0.00 0.00 0.00 175.17 175.80 3bg5 s LEU 1173N 0.29 4.39 -0.01 1.23 2.96 -0.63 0.65 118.68 127.56 3bg5 s LEU 1173Ca 0.60 2.62 -0.00 0.00 -0.22 0.00 0.00 54.13 57.12 3bg5 s LEU 1173Cb -0.37 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.70 3bg5 s LEU 1173CO 0.36 -0.70 -0.01 0.18 -1.32 0.00 0.00 176.35 174.85 3bg5 n LEU 1174N 2.69 1.02 -3.93 -0.68 4.77 -0.42 -4.66 117.00 115.79 3bg5 n LEU 1174Ca 0.08 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3bg5 n LEU 1174Cb 0.40 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 3bg5 n LEU 1174CO 0.60 0.18 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.86 3bg5 s ILE 1175N -2.02 0.06 -0.08 -0.08 -1.09 -1.21 -0.98 121.20 115.80 3bg5 s ILE 1175Ca -0.02 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 3bg5 s ILE 1175Cb 0.01 -0.16 0.00 0.00 -1.58 0.00 0.00 42.46 40.73 3bg5 s ILE 1175CO 0.02 -0.29 -0.19 -0.70 -1.23 0.00 0.00 174.94 172.55 3bg5 s GLU 1176N -0.85 2.38 0.35 2.79 2.12 -0.78 -0.57 118.70 124.15 3bg5 s GLU 1176Ca -0.09 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.61 3bg5 s GLU 1176Cb -0.06 -1.89 -0.07 0.00 0.26 0.00 0.00 34.13 32.38 3bg5 s GLU 1176CO -0.01 0.16 -0.00 0.42 -0.54 0.00 0.00 175.26 175.29 3bg5 s ILE 1177N 0.36 1.71 -1.75 -3.70 1.01 -0.62 -0.40 121.20 117.81 3bg5 s ILE 1177Ca -0.14 -2.05 0.14 0.00 0.00 0.00 0.00 60.65 58.60 3bg5 s ILE 1177Cb -0.16 -2.77 0.11 0.00 0.01 0.00 0.00 42.46 39.65 3bg5 s ILE 1177CO 0.06 -0.09 0.94 -0.62 0.00 0.00 0.00 174.94 175.23