#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg5 n ILE 37 N 0.00 0.05 -0.01 -0.39 5.41 -1.26 -4.91 119.36 118.25 3bg5 n ILE 37 Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 3bg5 n ILE 37 Cb 0.00 -0.52 -0.01 0.00 -0.71 0.00 0.00 39.64 38.40 3bg5 n ILE 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bg5 n LYS 38 N 3.14 1.01 -3.87 0.38 4.76 -1.26 -4.87 118.16 117.45 3bg5 n LYS 38 Ca 0.24 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.41 3bg5 n LYS 38 Cb 0.07 -1.05 -0.16 0.00 -1.84 0.00 0.00 35.03 32.04 3bg5 n LYS 38 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3bg5 s LYS 39 N -2.05 1.33 -0.16 1.97 2.20 -1.26 -0.84 119.74 120.93 3bg5 s LYS 39 Ca -0.03 -0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 54.90 3bg5 s LYS 39 Cb 0.01 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 3bg5 s LYS 39 CO 0.06 -0.52 0.03 -1.17 -0.36 0.00 0.00 175.35 173.39 3bg5 s LEU 40 N 1.61 3.63 -0.11 5.43 0.20 0.12 -0.54 118.68 129.02 3bg5 s LEU 40 Ca -0.01 0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.80 3bg5 s LEU 40 Cb -0.17 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 3bg5 s LEU 40 CO -0.07 0.19 0.04 -0.22 -0.29 0.00 0.00 176.35 176.00 3bg5 s LEU 41 N 0.24 3.80 -0.31 -0.68 0.20 0.27 -0.56 118.68 121.65 3bg5 s LEU 41 Ca 0.02 0.21 -0.10 0.00 0.69 0.00 0.00 54.13 54.95 3bg5 s LEU 41 Cb -0.13 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 3bg5 s LEU 41 CO 0.01 0.35 0.15 -0.69 -0.29 0.00 0.00 176.35 175.89 3bg5 s VAL 42 N -0.72 4.61 -1.39 1.68 1.01 -0.88 -0.75 120.40 123.95 3bg5 s VAL 42 Ca 0.12 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 3bg5 s VAL 42 Cb -0.12 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.01 3bg5 s VAL 42 CO 0.02 0.09 2.22 0.00 0.00 0.00 0.00 175.10 177.43 3bg5 n ALA 43 N 4.98 5.99 -3.46 5.51 0.00 -0.37 -3.97 120.51 129.19 3bg5 n ALA 43 Ca -0.14 -4.04 0.04 0.00 0.00 0.00 0.00 53.44 49.30 3bg5 n ALA 43 Cb 0.49 -3.15 0.01 0.00 0.00 0.00 0.00 19.45 16.80 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 4.05 -0.89 -3.61 0.00 4.05 -1.26 -4.71 115.26 112.89 3bg5 n ASN 44 Ca 0.53 -1.46 -0.14 0.00 0.45 0.00 0.00 54.58 53.95 3bg5 n ASN 44 Cb 0.33 1.44 -0.07 0.00 1.23 0.00 0.00 39.78 42.72 3bg5 n ASN 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3bg5 s ARG 45 N -2.03 1.65 3.47 1.20 1.70 -1.26 -4.58 118.95 119.10 3bg5 s ARG 45 Ca 0.12 -1.71 0.00 0.00 -0.47 0.00 0.00 55.73 53.67 3bg5 s ARG 45 Cb -0.01 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3bg5 s ARG 45 CO 0.03 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.02 3bg5 n GLY 46 N -0.48 0.81 0.26 3.88 0.00 -1.26 -3.38 105.19 105.03 3bg5 n GLY 46 Ca 0.02 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.34 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 0.34 -0.46 1.61 -0.00 -1.87 -2.13 114.58 112.07 3bg5 h GLU 47 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.36 59.26 3bg5 h GLU 47 Cb 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 28.65 3bg5 h GLU 47 CO 0.00 0.23 -0.05 0.97 -0.00 0.00 0.00 179.01 180.16 3bg5 h ILE 48 N 0.35 1.25 0.21 -1.06 6.09 -1.90 0.22 117.51 122.68 3bg5 h ILE 48 Ca 0.39 -1.08 -0.01 0.00 -1.37 0.00 0.00 64.86 62.78 3bg5 h ILE 48 Cb 0.61 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.85 3bg5 h ILE 48 CO -0.43 0.38 -0.10 0.00 -3.07 0.00 0.00 178.15 174.93 3bg5 h ALA 49 N 1.21 -0.28 -0.84 0.18 0.00 -1.40 0.10 119.26 118.22 3bg5 h ALA 49 Ca 0.13 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3bg5 h ALA 49 Cb 0.52 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3bg5 h ALA 49 CO 0.03 -0.64 0.52 0.82 0.00 0.00 0.00 179.25 179.97 3bg5 h ILE 50 N -0.31 1.02 -0.05 0.00 2.04 -1.22 0.12 117.51 119.10 3bg5 h ILE 50 Ca -0.03 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3bg5 h ILE 50 Cb 0.24 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3bg5 h ILE 50 CO 0.05 0.17 -0.03 -0.09 0.00 0.00 0.00 178.15 178.25 3bg5 h ARG 51 N 0.93 -0.03 -0.63 2.37 9.65 -0.16 -1.64 114.38 124.87 3bg5 h ARG 51 Ca 0.37 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.19 3bg5 h ARG 51 Cb 0.20 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 3bg5 h ARG 51 CO -0.18 -0.02 0.15 0.82 2.80 0.00 0.00 179.97 183.54 3bg5 h ILE 52 N -0.03 1.25 -0.03 1.20 2.04 -0.27 -2.86 117.51 118.80 3bg5 h ILE 52 Ca 0.03 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3bg5 h ILE 52 Cb 0.08 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3bg5 h ILE 52 CO -0.07 0.34 -0.01 -0.26 0.00 0.00 0.00 178.15 178.15 3bg5 h PHE 53 N 0.95 -0.02 -0.57 1.37 0.05 -0.45 -0.57 116.94 117.71 3bg5 h PHE 53 Ca 0.20 0.00 0.07 0.00 3.82 0.00 0.00 57.97 62.06 3bg5 h PHE 53 Cb 0.34 0.01 -0.06 0.00 2.00 0.00 0.00 35.95 38.25 3bg5 h PHE 53 CO 0.02 -0.02 0.26 0.00 -0.18 0.00 0.00 178.31 178.39 3bg5 h ARG 54 N -0.00 0.47 0.61 1.51 3.08 -1.28 0.17 114.38 118.94 3bg5 h ARG 54 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3bg5 h ARG 54 Cb 0.03 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 29.98 3bg5 h ARG 54 CO -0.03 0.31 -0.29 0.00 -1.07 0.00 0.00 179.97 178.88 3bg5 h ALA 55 N 1.34 -0.82 -0.82 0.04 0.00 -1.24 0.10 119.26 117.87 3bg5 h ALA 55 Ca 0.27 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.17 3bg5 h ALA 55 Cb 0.24 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 3bg5 h ALA 55 CO -0.22 -0.91 0.28 0.00 0.00 0.00 0.00 179.25 178.40 3bg5 h ALA 56 N -0.60 1.18 -0.43 0.00 0.00 -0.99 -0.73 119.26 117.69 3bg5 h ALA 56 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bg5 h ALA 56 Cb 0.66 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3bg5 h ALA 56 CO 0.14 -0.33 0.28 0.00 0.00 0.00 0.00 179.25 179.34 3bg5 h ALA 57 N 1.66 0.55 0.00 0.00 0.00 -0.30 0.49 119.26 121.65 3bg5 h ALA 57 Ca 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 3bg5 h ALA 57 Cb 0.86 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3bg5 h ALA 57 CO -0.52 0.01 -0.00 0.93 0.00 0.00 0.00 179.25 179.67 3bg5 h GLU 58 N 0.58 0.00 -0.74 0.00 5.08 0.51 -0.63 114.58 119.39 3bg5 h GLU 58 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3bg5 h GLU 58 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3bg5 h GLU 58 CO -0.03 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.26 3bg5 n LEU 59 N -3.11 3.94 -2.18 1.33 4.77 -0.69 -4.94 117.00 116.13 3bg5 n LEU 59 Ca -0.03 -1.97 -0.18 0.00 -0.03 0.00 0.00 56.01 53.80 3bg5 n LEU 59 Cb 0.10 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3bg5 n LEU 59 CO 0.21 0.98 -0.19 0.47 -1.33 0.00 0.00 177.39 177.53 3bg5 n ASP 60 N 1.66 -5.34 -4.77 -1.43 9.92 -0.24 -5.00 116.55 111.34 3bg5 n ASP 60 Ca 0.25 -0.06 -0.36 0.00 -0.53 0.00 0.00 54.79 54.09 3bg5 n ASP 60 Cb 0.62 -4.37 -0.07 0.00 -0.64 0.00 0.00 41.12 36.66 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 -2.94 5.35 0.22 0.53 1.01 0.08 -4.99 121.20 120.46 3bg5 s ILE 61 Ca 0.05 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 3bg5 s ILE 61 Cb -0.02 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 3bg5 s ILE 61 CO 0.06 0.47 1.27 -0.44 0.00 0.00 0.00 174.94 176.29 3bg5 s SER 62 N -0.01 6.95 -0.13 3.58 0.01 -0.02 -3.90 113.70 120.18 3bg5 s SER 62 Ca 0.14 2.40 -0.05 0.00 1.31 0.00 0.00 55.95 59.75 3bg5 s SER 62 Cb -0.12 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3bg5 s SER 62 CO 0.03 -0.46 0.06 0.42 0.41 0.00 0.00 173.24 173.70 3bg5 s THR 63 N -0.24 4.80 -0.10 1.44 -4.23 -1.26 0.10 115.64 116.15 3bg5 s THR 63 Ca 0.54 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 3bg5 s THR 63 Cb -0.36 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3bg5 s THR 63 CO 0.40 0.56 -0.22 -0.69 -0.54 0.00 0.00 174.62 174.14 3bg5 s VAL 64 N -0.53 1.94 0.01 2.29 1.01 0.28 -1.82 120.40 123.57 3bg5 s VAL 64 Ca 0.10 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 3bg5 s VAL 64 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3bg5 s VAL 64 CO 0.02 0.53 0.11 0.00 0.00 0.00 0.00 175.10 175.76 3bg5 s ALA 65 N 0.44 3.68 0.04 5.51 0.00 0.21 -2.08 121.76 129.56 3bg5 s ALA 65 Ca -0.17 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.00 3bg5 s ALA 65 Cb -0.17 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3bg5 s ALA 65 CO 0.07 0.72 -0.22 0.96 0.00 0.00 0.00 175.76 177.29 3bg5 s ILE 66 N -1.27 2.47 0.04 0.00 -4.36 -1.25 -1.82 121.20 115.01 3bg5 s ILE 66 Ca 0.26 -1.26 -0.04 0.00 -0.26 0.00 0.00 60.65 59.34 3bg5 s ILE 66 Cb -0.12 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.57 3bg5 s ILE 66 CO 0.17 0.37 0.06 -0.72 0.24 0.00 0.00 174.94 175.06 3bg5 s TYR 67 N -0.85 0.27 0.61 1.37 1.13 -0.99 -4.78 117.35 114.10 3bg5 s TYR 67 Ca 0.13 -0.62 -0.00 0.00 -1.41 0.00 0.00 57.07 55.17 3bg5 s TYR 67 Cb -0.10 -0.19 0.06 0.00 -1.10 0.00 0.00 41.96 40.62 3bg5 s TYR 67 CO 0.03 -0.36 0.86 -1.54 -2.51 0.00 0.00 175.55 172.04 3bg5 s SER 68 N -2.24 5.00 0.29 -0.18 1.04 -1.26 -1.60 113.70 114.75 3bg5 s SER 68 Ca -0.03 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3bg5 s SER 68 Cb -0.00 -0.72 0.52 0.00 0.10 0.00 0.00 66.02 65.92 3bg5 s SER 68 CO -0.06 -1.37 1.87 0.78 0.98 0.00 0.00 173.24 175.44 3bg5 h ASN 69 N -0.16 0.95 1.26 7.02 4.21 -1.85 -1.39 115.58 125.62 3bg5 h ASN 69 Ca -0.41 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.13 3bg5 h ASN 69 Cb 1.29 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 3bg5 h ASN 69 CO 0.51 0.56 0.00 -1.84 -1.29 0.00 0.00 177.43 175.36 3bg5 n GLU 70 N -4.55 0.18 -0.37 0.81 0.00 -1.26 -2.55 120.64 112.90 3bg5 n GLU 70 Ca 0.17 0.18 0.12 0.00 0.00 0.00 0.00 57.16 57.62 3bg5 n GLU 70 Cb 0.28 -1.72 0.32 0.00 0.00 0.00 0.00 31.44 30.32 3bg5 n GLU 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3bg5 n ASP 71 N -2.04 3.94 -0.51 -1.84 8.00 -0.58 -4.58 116.55 118.94 3bg5 n ASP 71 Ca 0.06 -2.00 0.42 0.00 0.71 0.00 0.00 54.79 53.98 3bg5 n ASP 71 Cb 0.38 -0.49 0.73 0.00 -0.02 0.00 0.00 41.12 41.73 3bg5 n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3bg5 h LYS 72 N 4.32 0.05 0.00 -1.24 1.79 -1.12 0.19 116.57 120.55 3bg5 h LYS 72 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3bg5 h LYS 72 Cb 0.99 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3bg5 h LYS 72 CO 0.00 0.03 -0.01 -1.13 -1.08 0.00 0.00 179.45 177.26 3bg5 n SER 73 N -4.29 2.24 -4.77 0.86 3.41 -1.26 -5.01 113.62 104.80 3bg5 n SER 73 Ca 0.37 -2.88 -0.40 0.00 -0.26 0.00 0.00 58.87 55.70 3bg5 n SER 73 Cb 1.59 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 3bg5 n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bg5 s SER 74 N -2.52 6.86 0.38 4.04 0.15 0.05 -4.91 113.70 117.75 3bg5 s SER 74 Ca 0.26 2.52 0.05 0.00 0.70 0.00 0.00 55.95 59.48 3bg5 s SER 74 Cb 0.23 -2.64 0.74 0.00 -1.71 0.00 0.00 66.02 62.64 3bg5 s SER 74 CO 0.02 -0.46 2.02 -0.07 1.20 0.00 0.00 173.24 175.96 3bg5 h LEU 75 N 3.37 0.62 -1.62 3.45 3.38 -1.89 -2.27 115.31 120.35 3bg5 h LEU 75 Ca -0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3bg5 h LEU 75 Cb 1.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3bg5 h LEU 75 CO 0.65 0.44 0.00 1.12 0.09 0.00 0.00 178.44 180.75 3bg5 h HIS 76 N 0.73 0.24 -0.45 1.13 2.07 -1.92 -2.68 115.15 114.27 3bg5 h HIS 76 Ca 0.21 -0.01 0.08 0.00 -2.85 0.00 0.00 60.37 57.80 3bg5 h HIS 76 Cb -0.04 -0.08 -0.07 0.00 2.57 0.00 0.00 27.41 29.80 3bg5 h HIS 76 CO -0.00 0.25 0.05 -0.09 -3.07 0.00 0.00 177.93 175.07 3bg5 h ARG 77 N 0.24 0.16 -0.00 5.12 2.43 -1.73 -2.17 114.38 118.44 3bg5 h ARG 77 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3bg5 h ARG 77 Cb 0.16 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3bg5 h ARG 77 CO 0.00 0.11 -0.03 0.66 -1.51 0.00 0.00 179.97 179.20 3bg5 n TYR 78 N -5.16 0.00 1.37 2.20 4.02 -1.02 -3.98 117.16 114.60 3bg5 n TYR 78 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 3bg5 n TYR 78 Cb 0.23 -0.28 0.44 0.00 -0.02 0.00 0.00 39.34 39.70 3bg5 n TYR 78 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3bg5 n LYS 79 N -1.24 1.36 -4.12 -0.72 3.00 -0.81 -4.89 118.16 110.73 3bg5 n LYS 79 Ca 0.14 -0.82 -0.22 0.00 -0.00 0.00 0.00 58.31 57.40 3bg5 n LYS 79 Cb 0.26 -1.48 -0.05 0.00 0.00 0.00 0.00 35.03 33.75 3bg5 n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3bg5 s ALA 80 N -2.21 3.49 0.39 3.14 0.00 -1.25 -4.90 121.76 120.41 3bg5 s ALA 80 Ca 0.32 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.78 3bg5 s ALA 80 Cb 0.20 -1.04 0.84 0.00 0.00 0.00 0.00 23.12 23.11 3bg5 s ALA 80 CO 0.41 0.19 1.98 -0.44 0.00 0.00 0.00 175.76 177.90 3bg5 h ASP 81 N 1.58 0.55 -4.97 0.00 3.45 -1.80 -3.44 116.42 111.79 3bg5 h ASP 81 Ca -0.46 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 56.82 3bg5 h ASP 81 Cb 1.25 -0.12 -0.20 0.00 -0.56 0.00 0.00 39.33 39.70 3bg5 h ASP 81 CO 0.61 0.36 -0.70 -1.61 -1.57 0.00 0.00 179.24 176.32 3bg5 s GLU 82 N -5.57 0.42 -0.11 3.56 2.02 -0.76 -5.03 118.70 113.23 3bg5 s GLU 82 Ca -0.09 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.04 3bg5 s GLU 82 Cb 0.19 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.49 3bg5 s GLU 82 CO 0.76 -0.04 0.29 -1.54 0.02 0.00 0.00 175.26 174.75 3bg5 s SER 83 N -1.78 -0.31 -0.01 -0.19 1.04 -1.26 0.68 113.70 111.87 3bg5 s SER 83 Ca -0.10 0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.95 3bg5 s SER 83 Cb -0.07 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3bg5 s SER 83 CO -0.02 -0.12 -0.08 -0.31 0.98 0.00 0.00 173.24 173.69 3bg5 s TYR 84 N 0.38 0.75 -0.49 5.02 1.51 -0.75 -4.96 117.35 118.81 3bg5 s TYR 84 Ca -0.02 -0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 55.61 3bg5 s TYR 84 Cb -0.04 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 3bg5 s TYR 84 CO -0.02 -0.02 1.40 -1.17 -1.11 0.00 0.00 175.55 174.64 3bg5 s LEU 85 N -0.16 3.50 -0.33 -1.29 2.96 -1.26 -2.35 118.68 119.75 3bg5 s LEU 85 Ca 0.03 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 3bg5 s LEU 85 Cb -0.04 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.35 3bg5 s LEU 85 CO -0.00 -1.56 1.32 -0.69 -1.32 0.00 0.00 176.35 174.09 3bg5 s VAL 86 N 5.71 4.09 -0.05 1.68 1.01 -0.63 -4.57 120.40 127.64 3bg5 s VAL 86 Ca 0.56 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.71 3bg5 s VAL 86 Cb -0.12 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.09 3bg5 s VAL 86 CO 0.29 -0.56 0.07 0.61 0.00 0.00 0.00 175.10 175.51 3bg5 n GLY 87 N 4.51 -4.27 0.26 4.51 0.00 -1.26 -4.68 105.19 104.26 3bg5 n GLY 87 Ca 0.15 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 3bg5 n GLY 87 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3bg5 h SER 88 N 2.15 0.77 0.88 1.61 0.87 -1.99 -3.14 113.55 114.69 3bg5 h SER 88 Ca -0.17 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.23 3bg5 h SER 88 Cb 0.38 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3bg5 h SER 88 CO 0.00 0.63 -1.18 -2.24 -0.53 0.00 0.00 176.83 173.51 3bg5 h ASP 89 N 0.84 0.00 -2.36 6.23 -0.00 -1.99 -3.49 116.42 115.66 3bg5 h ASP 89 Ca 0.22 0.00 -0.61 0.00 -0.00 0.00 0.00 57.03 56.64 3bg5 h ASP 89 Cb 0.02 0.00 0.14 0.00 -0.00 0.00 0.00 39.33 39.49 3bg5 h ASP 89 CO -0.04 0.28 -0.26 0.18 -0.00 0.00 0.00 179.24 179.41 3bg5 n LEU 90 N -2.79 0.52 0.00 0.15 4.77 -1.19 -5.02 117.00 113.44 3bg5 n LEU 90 Ca -0.04 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3bg5 n LEU 90 Cb 0.69 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3bg5 n LEU 90 CO 0.41 -2.49 0.00 0.61 -1.33 0.00 0.00 177.39 174.60 3bg5 n GLY 91 N 1.64 0.34 0.00 -0.72 0.00 -1.26 -4.84 105.19 100.34 3bg5 n GLY 91 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3bg5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bg5 n PRO 92 N 0.00 0.00 0.00 1.61 -0.05 -1.26 -4.40 135.00 130.90 3bg5 n PRO 92 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 63.50 63.59 3bg5 n PRO 92 Cb 0.00 -0.09 0.49 0.00 -0.05 0.00 0.00 33.50 33.85 3bg5 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3bg5 n ALA 93 N -2.42 2.82 0.74 0.55 0.00 -1.26 -3.72 120.51 117.22 3bg5 n ALA 93 Ca 0.00 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.17 3bg5 n ALA 93 Cb 0.00 -1.19 0.49 0.00 0.00 0.00 0.00 19.45 18.75 3bg5 n ALA 93 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3bg5 n GLU 94 N -0.38 0.11 0.07 0.00 0.28 -1.26 -3.35 120.64 116.11 3bg5 n GLU 94 Ca 0.16 0.15 -0.02 0.00 -0.16 0.00 0.00 57.16 57.29 3bg5 n GLU 94 Cb 0.33 -1.65 0.25 0.00 1.43 0.00 0.00 31.44 31.80 3bg5 n GLU 94 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3bg5 h SER 95 N 0.00 0.33 -0.59 -1.84 0.02 -1.77 -2.28 113.55 107.42 3bg5 h SER 95 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3bg5 h SER 95 Cb 0.54 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3bg5 h SER 95 CO 0.00 0.62 0.00 -1.22 -1.14 0.00 0.00 176.83 175.09 3bg5 n TYR 96 N -4.11 0.77 0.25 3.45 4.02 -1.21 -4.06 117.16 116.27 3bg5 n TYR 96 Ca -0.01 -0.39 0.03 0.00 -0.01 0.00 0.00 57.90 57.52 3bg5 n TYR 96 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.72 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 1.54 0.68 -4.56 7.72 4.77 -1.03 -4.35 117.00 121.78 3bg5 n LEU 97 Ca 0.22 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 3bg5 n LEU 97 Cb 0.60 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 3bg5 n LEU 97 CO 0.16 0.15 1.54 0.21 -1.33 0.00 0.00 177.39 178.12 3bg5 s ASN 98 N -1.16 6.51 0.21 -1.43 3.84 -0.89 -4.88 114.94 117.13 3bg5 s ASN 98 Ca 0.04 -1.56 -0.12 0.00 0.21 0.00 0.00 52.86 51.43 3bg5 s ASN 98 Cb 0.04 -2.57 0.26 0.00 -0.55 0.00 0.00 41.25 38.44 3bg5 s ASN 98 CO 0.17 -1.50 1.64 0.40 -2.79 0.00 0.00 177.10 175.02 3bg5 h ILE 99 N 6.66 0.40 -0.21 -5.21 2.04 -1.92 -0.85 117.51 118.41 3bg5 h ILE 99 Ca 0.23 -0.01 -0.19 0.00 1.00 0.00 0.00 64.86 65.89 3bg5 h ILE 99 Cb 0.99 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3bg5 h ILE 99 CO 1.43 0.01 -0.59 -0.33 0.00 0.00 0.00 178.15 178.66 3bg5 h GLU 100 N 0.03 0.78 -0.08 2.37 4.39 -1.99 -1.74 114.58 118.34 3bg5 h GLU 100 Ca 0.31 -0.55 -0.09 0.00 0.34 0.00 0.00 59.36 59.37 3bg5 h GLU 100 Cb 0.49 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3bg5 h GLU 100 CO -0.62 1.17 -0.37 0.00 -1.16 0.00 0.00 179.01 178.03 3bg5 h ARG 101 N 0.51 0.17 0.08 2.33 -0.00 -1.92 0.50 114.38 116.06 3bg5 h ARG 101 Ca -0.01 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 3bg5 h ARG 101 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.18 3bg5 h ARG 101 CO 0.13 0.52 -0.04 0.82 0.00 0.00 0.00 179.97 181.40 3bg5 h ILE 102 N 0.14 1.17 -0.57 2.04 2.04 -1.08 -2.46 117.51 118.79 3bg5 h ILE 102 Ca 0.02 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3bg5 h ILE 102 Cb 0.73 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 3bg5 h ILE 102 CO 0.05 0.26 0.30 0.40 0.00 0.00 0.00 178.15 179.17 3bg5 h ILE 103 N -0.63 1.18 -0.23 -0.67 2.04 -1.32 -1.25 117.51 116.63 3bg5 h ILE 103 Ca -0.01 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.45 3bg5 h ILE 103 Cb 0.52 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 3bg5 h ILE 103 CO 0.02 0.20 -0.26 0.44 0.00 0.00 0.00 178.15 178.55 3bg5 h ASP 104 N 0.79 -0.82 -0.37 1.72 3.32 -0.90 0.13 116.42 120.28 3bg5 h ASP 104 Ca 0.20 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3bg5 h ASP 104 Cb 0.03 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3bg5 h ASP 104 CO -0.03 -0.29 0.23 0.58 -1.72 0.00 0.00 179.24 178.00 3bg5 h VAL 105 N -0.27 1.12 -0.83 -1.35 2.07 -0.88 -1.59 116.25 114.50 3bg5 h VAL 105 Ca 0.13 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3bg5 h VAL 105 Cb 0.48 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3bg5 h VAL 105 CO -0.38 0.12 0.46 0.00 0.02 0.00 0.00 177.57 177.78 3bg5 h ALA 106 N 1.11 1.24 0.52 1.67 0.00 -0.99 -2.33 119.26 120.48 3bg5 h ALA 106 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3bg5 h ALA 106 Cb -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.45 3bg5 h ALA 106 CO -0.03 0.62 -0.25 0.87 0.00 0.00 0.00 179.25 180.47 3bg5 h LYS 107 N 1.16 -0.67 0.00 0.00 1.79 -0.44 -1.75 116.57 116.67 3bg5 h LYS 107 Ca 0.29 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3bg5 h LYS 107 Cb 0.02 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3bg5 h LYS 107 CO -0.05 -0.42 0.00 1.04 -1.08 0.00 0.00 179.45 178.94 3bg5 n GLN 108 N -5.37 0.09 -0.04 3.15 1.13 -0.63 -2.39 117.38 113.33 3bg5 n GLN 108 Ca -0.12 0.45 0.05 0.00 -1.94 0.00 0.00 57.00 55.44 3bg5 n GLN 108 Cb 0.30 -1.73 0.06 0.00 0.11 0.00 0.00 30.24 28.98 3bg5 n GLN 108 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bg5 n ALA 109 N -1.65 2.39 -3.23 -1.58 0.00 -0.89 -5.02 120.51 110.53 3bg5 n ALA 109 Ca 0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 3bg5 n ALA 109 Cb 0.12 -0.33 0.08 0.00 0.00 0.00 0.00 19.45 19.32 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 0.47 -2.80 -4.73 0.00 3.02 -1.00 -5.00 115.26 105.21 3bg5 n ASN 110 Ca 0.07 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.66 3bg5 n ASN 110 Cb 0.28 -4.61 -0.05 0.00 -0.61 0.00 0.00 39.78 34.78 3bg5 n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bg5 s VAL 111 N -3.32 4.97 -0.12 2.41 1.01 -0.68 -4.63 120.40 120.04 3bg5 s VAL 111 Ca 0.08 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.21 3bg5 s VAL 111 Cb -0.01 -4.02 -0.27 0.00 0.00 0.00 0.00 36.38 32.08 3bg5 s VAL 111 CO 0.65 0.31 0.77 0.44 0.00 0.00 0.00 175.10 177.27 3bg5 h ASP 112 N 6.33 0.15 -4.82 3.32 3.32 -1.16 -3.45 116.42 120.11 3bg5 h ASP 112 Ca -0.42 -0.96 -0.25 0.00 0.02 0.00 0.00 57.03 55.42 3bg5 h ASP 112 Cb 1.20 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.49 3bg5 h ASP 112 CO 0.73 1.16 -0.72 0.00 -1.72 0.00 0.00 179.24 178.69 3bg5 s ALA 113 N -2.30 0.46 -0.18 3.45 0.00 -1.15 -0.38 121.76 121.66 3bg5 s ALA 113 Ca -0.18 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3bg5 s ALA 113 Cb -0.01 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.21 3bg5 s ALA 113 CO 0.73 -0.06 -0.16 0.42 0.00 0.00 0.00 175.76 176.68 3bg5 s ILE 114 N -1.45 1.90 -0.21 0.00 1.01 -0.65 -0.56 121.20 121.24 3bg5 s ILE 114 Ca -0.11 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 3bg5 s ILE 114 Cb -0.10 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 3bg5 s ILE 114 CO -0.00 0.42 0.63 -2.28 0.00 0.00 0.00 174.94 173.70 3bg5 s HIS 115 N 1.33 3.35 -1.14 3.97 2.46 0.07 -2.22 115.29 123.11 3bg5 s HIS 115 Ca 0.03 0.90 0.26 0.00 0.47 0.00 0.00 55.06 56.71 3bg5 s HIS 115 Cb -0.14 -2.81 0.64 0.00 -0.13 0.00 0.00 32.58 30.14 3bg5 s HIS 115 CO -0.11 -0.21 1.50 -0.35 -2.47 0.00 0.00 174.74 173.10 3bg5 n PRO 116 N 5.20 0.16 0.00 2.88 -0.04 -1.26 -1.24 135.00 140.70 3bg5 n PRO 116 Ca -0.01 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3bg5 n PRO 116 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.47 4.17 3.02 0.55 0.00 -1.26 -4.44 105.19 108.69 3bg5 n GLY 117 Ca 0.07 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.45 -0.88 1.61 -0.85 -1.26 -4.23 117.35 112.19 3bg5 s TYR 118 Ca 0.00 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 3bg5 s TYR 118 Cb 0.00 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.06 3bg5 s TYR 118 CO 0.00 -0.14 0.53 0.41 -1.52 0.00 0.00 175.55 174.83 3bg5 n GLY 119 N 1.57 0.01 0.00 5.49 0.00 -1.26 -4.89 105.19 106.11 3bg5 n GLY 119 Ca -0.23 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 0.00 -0.56 1.61 3.72 -1.26 -4.94 117.46 112.03 3bg5 n PHE 120 Ca -0.03 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 3bg5 n PHE 120 Cb 0.56 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.45 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 4.61 -0.03 4.37 4.77 -1.26 -4.60 117.00 124.86 3bg5 n LEU 121 Ca 0.00 -2.32 -0.01 0.00 -0.03 0.00 0.00 56.01 53.65 3bg5 n LEU 121 Cb 0.00 -0.56 0.27 0.00 -2.33 0.00 0.00 43.42 40.79 3bg5 n LEU 121 CO 0.00 0.87 0.94 0.77 -1.33 0.00 0.00 177.39 178.64 3bg5 h SER 122 N 4.25 0.56 -0.45 -1.43 4.64 -1.88 -2.68 113.55 116.57 3bg5 h SER 122 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3bg5 h SER 122 Cb 1.34 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3bg5 h SER 122 CO 0.17 0.62 0.00 -0.62 -0.87 0.00 0.00 176.83 176.13 3bg5 n GLU 123 N -4.27 3.34 -3.20 4.77 1.02 -1.26 -4.87 120.64 116.17 3bg5 n GLU 123 Ca 0.02 -2.68 -0.41 0.00 -0.02 0.00 0.00 57.16 54.07 3bg5 n GLU 123 Cb 0.25 -1.74 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.24 6.40 0.20 1.62 3.84 -1.01 -4.97 114.94 119.78 3bg5 s ASN 124 Ca 0.42 0.28 -0.05 0.00 0.21 0.00 0.00 52.86 53.72 3bg5 s ASN 124 Cb 0.29 -2.29 0.13 0.00 -0.55 0.00 0.00 41.25 38.83 3bg5 s ASN 124 CO 0.17 -0.42 1.57 -0.08 -2.79 0.00 0.00 177.10 175.55 3bg5 h GLU 125 N 8.25 0.75 -0.42 0.43 4.81 -1.91 -2.88 114.58 123.61 3bg5 h GLU 125 Ca -0.28 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 3bg5 h GLU 125 Cb 1.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3bg5 h GLU 125 CO 0.76 0.97 0.27 1.96 -0.73 0.00 0.00 179.01 182.24 3bg5 h GLN 126 N 0.63 0.55 -0.50 1.92 4.20 -1.97 -0.66 115.11 119.28 3bg5 h GLN 126 Ca 0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3bg5 h GLN 126 Cb 0.86 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 3bg5 h GLN 126 CO 0.08 0.38 0.25 0.35 -0.67 0.00 0.00 178.83 179.22 3bg5 h PHE 127 N 0.56 0.71 -0.92 2.96 3.57 -1.89 -0.58 116.94 121.35 3bg5 h PHE 127 Ca 0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3bg5 h PHE 127 Cb -0.05 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3bg5 h PHE 127 CO -0.04 0.55 0.53 0.00 -2.23 0.00 0.00 178.31 177.11 3bg5 h ALA 128 N 1.09 1.19 0.51 2.41 0.00 -1.29 -2.10 119.26 121.07 3bg5 h ALA 128 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bg5 h ALA 128 Cb 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3bg5 h ALA 128 CO -0.02 0.67 -0.24 -0.09 0.00 0.00 0.00 179.25 179.56 3bg5 h ARG 129 N 1.28 -0.66 -0.90 0.00 2.43 -0.62 -2.62 114.38 113.29 3bg5 h ARG 129 Ca 0.33 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 3bg5 h ARG 129 Cb -0.01 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 3bg5 h ARG 129 CO -0.06 -0.42 0.58 0.00 -1.51 0.00 0.00 179.97 178.57 3bg5 h ARG 130 N -0.72 0.95 -0.03 0.20 2.47 -1.00 -0.42 114.38 115.83 3bg5 h ARG 130 Ca -0.07 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.62 3bg5 h ARG 130 Cb 0.54 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 3bg5 h ARG 130 CO 0.11 0.63 -0.18 0.00 0.56 0.00 0.00 179.97 181.10 3bg5 h ALA 132 N 0.67 0.53 0.00 0.00 0.00 -0.84 0.27 119.26 119.89 3bg5 h ALA 132 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bg5 h ALA 132 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3bg5 h ALA 132 CO -0.19 -0.19 0.00 0.93 0.00 0.00 0.00 179.25 179.80 3bg5 h GLU 133 N 0.38 0.00 -0.02 0.00 5.08 -0.82 -0.38 114.58 118.82 3bg5 h GLU 133 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3bg5 h GLU 133 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3bg5 h GLU 133 CO -0.17 0.00 -0.03 0.39 -1.00 0.00 0.00 179.01 178.21 3bg5 n GLU 134 N -2.84 1.07 -2.30 2.33 -0.58 -0.69 -4.99 120.64 112.63 3bg5 n GLU 134 Ca -0.02 -1.28 -0.05 0.00 -0.42 0.00 0.00 57.16 55.39 3bg5 n GLU 134 Cb 0.12 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 0.83 0.33 3.44 0.62 0.00 -0.15 -5.04 105.19 105.22 3bg5 n GLY 135 Ca 0.08 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.51 4.04 -0.13 -0.61 1.09 0.80 -4.91 121.20 118.98 3bg5 s ILE 136 Ca 0.04 -0.28 -0.29 0.00 -1.10 0.00 0.00 60.65 59.02 3bg5 s ILE 136 Cb -0.02 -2.85 -0.04 0.00 -1.06 0.00 0.00 42.46 38.49 3bg5 s ILE 136 CO 0.05 0.41 1.67 -0.75 -0.10 0.00 0.00 174.94 176.21 3bg5 s LYS 137 N 1.17 3.97 -0.36 2.79 2.36 0.48 -3.53 119.74 126.62 3bg5 s LYS 137 Ca 0.03 1.96 -0.29 0.00 -2.55 0.00 0.00 55.97 55.12 3bg5 s LYS 137 Cb -0.14 -4.03 0.01 0.00 -1.05 0.00 0.00 37.83 32.62 3bg5 s LYS 137 CO 0.02 -1.10 1.28 0.12 1.55 0.00 0.00 175.35 177.22 3bg5 s PHE 138 N 4.74 2.69 -0.71 4.03 2.19 -1.26 -1.64 117.98 128.02 3bg5 s PHE 138 Ca 0.74 0.83 -0.26 0.00 0.33 0.00 0.00 56.93 58.57 3bg5 s PHE 138 Cb -0.30 -4.07 -0.00 0.00 -1.31 0.00 0.00 43.02 37.35 3bg5 s PHE 138 CO 0.30 -1.60 1.64 0.42 1.83 0.00 0.00 175.22 177.81 3bg5 s ILE 139 N 4.56 3.53 -4.59 3.12 1.01 -0.94 -4.73 121.20 123.15 3bg5 s ILE 139 Ca 0.55 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.35 3bg5 s ILE 139 Cb -0.14 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3bg5 s ILE 139 CO 0.26 -1.31 0.00 0.61 0.00 0.00 0.00 174.94 174.50 3bg5 n GLY 140 N 5.79 -1.32 3.74 6.18 0.00 -1.26 -4.52 105.19 113.79 3bg5 n GLY 140 Ca 0.17 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.84 0.79 0.92 1.61 0.04 -1.22 -4.61 135.00 130.69 3bg5 s PRO 141 Ca 0.00 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.30 3bg5 s PRO 141 Cb 0.00 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.89 3bg5 s PRO 141 CO 0.00 -2.45 1.09 -1.01 0.04 0.00 0.00 177.00 174.67 3bg5 s HIS 142 N -3.14 2.14 0.26 0.56 3.76 -1.26 -4.86 115.29 112.74 3bg5 s HIS 142 Ca 0.65 1.35 -0.02 0.00 -0.15 0.00 0.00 55.06 56.89 3bg5 s HIS 142 Cb -0.16 -3.17 0.50 0.00 1.11 0.00 0.00 32.58 30.86 3bg5 s HIS 142 CO 0.55 -2.56 1.75 -0.07 -0.85 0.00 0.00 174.74 173.57 3bg5 h LEU 143 N -1.67 0.45 -0.06 0.89 4.07 -1.96 -1.01 115.31 116.02 3bg5 h LEU 143 Ca -0.49 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.56 3bg5 h LEU 143 Cb 1.28 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3bg5 h LEU 143 CO 0.52 0.19 0.00 -1.84 -1.08 0.00 0.00 178.44 176.23 3bg5 n GLU 144 N -4.91 0.03 0.11 1.13 0.00 -1.26 -2.65 120.64 113.09 3bg5 n GLU 144 Ca 0.16 0.20 -0.24 0.00 0.00 0.00 0.00 57.16 57.28 3bg5 n GLU 144 Cb 0.42 -1.54 -0.15 0.00 0.00 0.00 0.00 31.44 30.16 3bg5 n GLU 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3bg5 h HIS 145 N 0.00 0.85 -0.07 -1.84 3.86 -1.53 -2.77 115.15 113.66 3bg5 h HIS 145 Ca 0.00 -0.62 -0.11 0.00 -1.16 0.00 0.00 60.37 58.48 3bg5 h HIS 145 Cb 0.34 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3bg5 h HIS 145 CO 0.00 1.61 -0.45 -0.07 0.86 0.00 0.00 177.93 179.88 3bg5 h LEU 146 N 0.10 0.17 0.20 2.43 3.38 -1.42 -2.70 115.31 117.47 3bg5 h LEU 146 Ca -0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3bg5 h LEU 146 Cb 2.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.82 3bg5 h LEU 146 CO 0.23 0.60 -0.10 -0.78 0.09 0.00 0.00 178.44 178.47 3bg5 h ASP 147 N 0.13 -0.23 -0.91 -0.43 -0.00 -1.64 -1.78 116.42 111.56 3bg5 h ASP 147 Ca 0.01 -0.30 0.16 0.00 -0.00 0.00 0.00 57.03 56.90 3bg5 h ASP 147 Cb 0.85 0.06 -0.16 0.00 -0.00 0.00 0.00 39.33 40.08 3bg5 h ASP 147 CO 0.07 0.26 -0.30 0.80 -0.00 0.00 0.00 179.24 180.07 3bg5 n MET 148 N -4.98 -0.15 -0.28 0.28 1.56 -1.04 -1.71 117.12 110.79 3bg5 n MET 148 Ca -0.08 1.41 0.08 0.00 -0.27 0.00 0.00 57.70 58.84 3bg5 n MET 148 Cb 0.26 -2.10 0.22 0.00 2.15 0.00 0.00 33.22 33.75 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 -5.41 0.71 0.50 1.12 3.01 -1.02 -1.62 117.46 114.75 3bg5 n PHE 149 Ca 0.12 -0.53 0.12 0.00 1.01 0.00 0.00 57.45 58.17 3bg5 n PHE 149 Cb 0.41 -0.05 0.28 0.00 -0.01 0.00 0.00 39.48 40.11 3bg5 n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3bg5 h GLY 150 N 2.79 0.00 -6.46 1.37 0.00 -0.42 -3.44 103.07 96.90 3bg5 h GLY 150 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3bg5 h GLY 150 CO 0.03 0.00 -0.80 -0.35 0.00 0.00 0.00 176.54 175.42 3bg5 s ASP 151 N -4.83 2.04 0.60 0.19 2.15 -1.25 -5.02 116.67 110.55 3bg5 s ASP 151 Ca 0.08 -0.29 0.28 0.00 0.43 0.00 0.00 52.55 53.05 3bg5 s ASP 151 Cb 0.11 -0.82 1.44 0.00 -0.30 0.00 0.00 42.92 43.34 3bg5 s ASP 151 CO 0.65 -0.08 1.84 0.50 -0.17 0.00 0.00 175.17 177.91 3bg5 h LYS 152 N 7.87 0.00 0.00 4.34 3.64 -1.92 0.27 116.57 130.77 3bg5 h LYS 152 Ca -0.30 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3bg5 h LYS 152 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3bg5 h LYS 152 CO 0.42 0.00 -0.00 0.28 -2.27 0.00 0.00 179.45 177.88 3bg5 h VAL 153 N 0.00 1.62 -0.43 2.00 2.07 -1.95 -3.15 116.25 116.41 3bg5 h VAL 153 Ca 0.21 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.77 3bg5 h VAL 153 Cb 1.26 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 3bg5 h VAL 153 CO -0.00 0.48 -0.12 0.11 0.02 0.00 0.00 177.57 178.06 3bg5 h LYS 154 N -0.81 0.77 -0.59 1.57 1.57 -1.30 -2.90 116.57 114.89 3bg5 h LYS 154 Ca -0.00 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 3bg5 h LYS 154 Cb 0.79 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3bg5 h LYS 154 CO 0.00 0.85 0.21 0.00 -0.57 0.00 0.00 179.45 179.95 3bg5 h ALA 155 N 1.17 1.27 -0.49 3.86 0.00 -0.05 -2.81 119.26 122.21 3bg5 h ALA 155 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bg5 h ALA 155 Cb 0.59 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3bg5 h ALA 155 CO 0.04 0.53 0.32 0.00 0.00 0.00 0.00 179.25 180.14 3bg5 h ARG 156 N 0.85 0.65 -0.13 0.00 2.47 -1.47 -2.68 114.38 114.08 3bg5 h ARG 156 Ca 0.20 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3bg5 h ARG 156 Cb 0.20 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 3bg5 h ARG 156 CO -0.01 0.44 0.08 1.15 0.56 0.00 0.00 179.97 182.19 3bg5 h THR 157 N 0.66 1.05 0.00 2.04 2.02 -1.40 -2.42 112.91 114.86 3bg5 h THR 157 Ca 0.18 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3bg5 h THR 157 Cb -0.06 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3bg5 h THR 157 CO -0.04 0.05 -0.30 0.71 0.37 0.00 0.00 175.52 176.31 3bg5 h THR 158 N 0.15 0.95 -0.04 3.16 1.35 -1.56 -2.09 112.91 114.83 3bg5 h THR 158 Ca 0.05 -1.14 -0.06 0.00 -0.55 0.00 0.00 66.41 64.71 3bg5 h THR 158 Cb 0.01 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3bg5 h THR 158 CO -0.01 0.29 -0.26 0.00 -0.25 0.00 0.00 175.52 175.29 3bg5 h ALA 159 N 1.70 1.48 -0.09 6.62 0.00 -1.09 -2.16 119.26 125.72 3bg5 h ALA 159 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3bg5 h ALA 159 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3bg5 h ALA 159 CO 0.04 0.38 -0.25 0.82 0.00 0.00 0.00 179.25 180.23 3bg5 h ILE 160 N 0.07 1.40 -0.02 0.00 5.03 -0.94 -2.17 117.51 120.88 3bg5 h ILE 160 Ca 0.01 -1.59 0.01 0.00 -0.12 0.00 0.00 64.86 63.17 3bg5 h ILE 160 Cb 0.51 2.19 -0.00 0.00 -3.03 0.00 0.00 36.82 36.49 3bg5 h ILE 160 CO 0.04 0.46 0.02 0.11 -0.68 0.00 0.00 178.15 178.09 3bg5 h LYS 161 N -0.13 0.00 0.00 2.37 6.56 -1.25 0.91 116.57 125.03 3bg5 h LYS 161 Ca -0.01 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3bg5 h LYS 161 Cb 0.87 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 3bg5 h LYS 161 CO 0.05 0.00 -0.43 0.00 -2.06 0.00 0.00 179.45 177.01 3bg5 h ALA 162 N 1.99 0.71 -3.55 3.86 0.00 -1.46 -3.49 119.26 117.32 3bg5 h ALA 162 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3bg5 h ALA 162 Cb 0.05 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.89 3bg5 h ALA 162 CO -0.00 0.00 -0.24 -3.47 0.00 0.00 0.00 179.25 175.54 3bg5 n ASP 163 N -2.20 -3.04 -4.33 0.00 -0.08 0.31 -4.81 116.55 102.41 3bg5 n ASP 163 Ca 0.04 -0.19 -0.30 0.00 -1.51 0.00 0.00 54.79 52.83 3bg5 n ASP 163 Cb 0.44 -1.82 -0.15 0.00 2.34 0.00 0.00 41.12 41.93 3bg5 n ASP 163 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3bg5 s LEU 164 N -3.58 2.15 0.23 -2.67 1.02 -0.84 -5.05 118.68 109.94 3bg5 s LEU 164 Ca 0.10 -0.57 -0.31 0.00 0.02 0.00 0.00 54.13 53.37 3bg5 s LEU 164 Cb -0.01 -1.25 -0.11 0.00 0.02 0.00 0.00 46.19 44.84 3bg5 s LEU 164 CO 0.21 0.25 1.61 -2.16 0.02 0.00 0.00 176.35 176.28 3bg5 s PRO 165 N -1.16 4.16 0.37 1.29 0.04 -1.26 -4.70 135.00 133.74 3bg5 s PRO 165 Ca 0.11 2.50 0.04 0.00 0.04 0.00 0.00 61.00 63.69 3bg5 s PRO 165 Cb -0.10 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 3bg5 s PRO 165 CO 0.02 -0.64 0.07 0.08 0.04 0.00 0.00 177.00 176.56 3bg5 s VAL 166 N 0.70 1.09 -0.20 -0.36 1.01 -1.26 -0.43 120.40 120.95 3bg5 s VAL 166 Ca 0.69 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.37 3bg5 s VAL 166 Cb -0.47 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3bg5 s VAL 166 CO 0.37 0.00 1.29 -0.63 0.00 0.00 0.00 175.10 176.13 3bg5 s ILE 167 N -3.20 4.22 -0.18 2.22 1.01 -1.26 -4.84 121.20 119.16 3bg5 s ILE 167 Ca 0.31 1.45 0.21 0.00 0.00 0.00 0.00 60.65 62.62 3bg5 s ILE 167 Cb 0.07 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 3bg5 s ILE 167 CO 0.14 -0.23 0.91 -0.81 0.00 0.00 0.00 174.94 174.95 3bg5 n PRO 168 N 6.83 0.62 -3.51 2.79 -0.04 -1.26 -5.14 135.00 135.29 3bg5 n PRO 168 Ca 0.14 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3bg5 n PRO 168 Cb 0.45 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 3bg5 n PRO 168 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3bg5 s ILE 239 N -3.29 -0.88 -0.43 0.52 -1.09 -1.26 -5.31 121.20 109.47 3bg5 s ILE 239 Ca -0.02 0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.11 3bg5 s ILE 239 Cb 0.10 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.98 3bg5 s ILE 239 CO 0.81 0.00 1.54 -0.62 -1.23 0.00 0.00 174.94 175.44 3bg5 s ASP 240 N 2.81 6.12 -0.66 3.58 -1.08 -1.26 -4.16 116.67 122.02 3bg5 s ASP 240 Ca -0.01 0.83 -0.09 0.00 -0.52 0.00 0.00 52.55 52.76 3bg5 s ASP 240 Cb -0.11 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 3bg5 s ASP 240 CO -0.19 -1.61 0.65 -3.20 0.52 0.00 0.00 175.17 171.34 3bg5 n ASN 241 N 9.57 -6.66 -4.78 -0.34 4.05 -1.26 -4.73 115.26 111.11 3bg5 n ASN 241 Ca 0.18 -0.21 -0.39 0.00 0.45 0.00 0.00 54.58 54.60 3bg5 n ASN 241 Cb 0.48 -3.75 -0.06 0.00 1.23 0.00 0.00 39.78 37.68 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 -3.38 4.46 -0.12 1.20 0.04 -1.26 -4.75 135.00 131.19 3bg5 s PRO 242 Ca 0.11 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 3bg5 s PRO 242 Cb -0.02 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3bg5 s PRO 242 CO 0.81 0.53 0.09 0.21 0.04 0.00 0.00 177.00 178.69 3bg5 s LYS 243 N -0.90 3.35 -0.47 4.56 2.20 -0.78 -2.10 119.74 125.60 3bg5 s LYS 243 Ca 0.34 -0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.60 3bg5 s LYS 243 Cb -0.22 -3.08 0.10 0.00 -1.51 0.00 0.00 37.83 33.12 3bg5 s LYS 243 CO 0.23 0.71 0.36 -1.58 -0.36 0.00 0.00 175.35 174.72 3bg5 s HIS 244 N -0.87 3.32 -0.09 4.03 5.65 -1.26 -1.25 115.29 124.82 3bg5 s HIS 244 Ca 0.14 -1.42 0.03 0.00 0.25 0.00 0.00 55.06 54.06 3bg5 s HIS 244 Cb -0.12 -3.29 -0.01 0.00 -1.18 0.00 0.00 32.58 27.98 3bg5 s HIS 244 CO 0.03 -0.90 -0.20 0.42 -0.65 0.00 0.00 174.74 173.44 3bg5 s ILE 245 N 1.50 2.49 0.01 0.89 -1.09 -1.16 0.38 121.20 124.21 3bg5 s ILE 245 Ca 0.04 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.59 3bg5 s ILE 245 Cb -0.25 -1.97 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 3bg5 s ILE 245 CO 0.03 0.56 -0.07 -1.83 -1.23 0.00 0.00 174.94 172.40 3bg5 s GLU 246 N 0.07 0.50 -0.14 2.79 -1.05 -1.04 -0.39 118.70 119.44 3bg5 s GLU 246 Ca -0.09 -0.38 -0.05 0.00 -0.15 0.00 0.00 54.97 54.31 3bg5 s GLU 246 Cb -0.15 -0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 33.07 3bg5 s GLU 246 CO 0.05 0.11 0.02 0.08 0.95 0.00 0.00 175.26 176.47 3bg5 s VAL 247 N -0.49 4.40 -0.01 1.83 1.01 -0.18 -1.46 120.40 125.51 3bg5 s VAL 247 Ca -0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 3bg5 s VAL 247 Cb -0.05 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3bg5 s VAL 247 CO 0.00 0.52 0.69 -1.58 0.00 0.00 0.00 175.10 174.73 3bg5 s GLN 248 N -0.04 4.42 0.07 2.72 2.00 -0.74 -1.45 119.66 126.64 3bg5 s GLN 248 Ca 0.04 0.90 0.05 0.00 -2.00 0.00 0.00 55.36 54.35 3bg5 s GLN 248 Cb -0.13 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 30.27 3bg5 s GLN 248 CO 0.02 0.24 -0.13 0.14 -0.50 0.00 0.00 175.29 175.06 3bg5 s VAL 249 N 0.17 1.03 -0.05 1.34 -7.23 -0.32 0.02 120.40 115.36 3bg5 s VAL 249 Ca 0.36 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 3bg5 s VAL 249 Cb -0.19 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.72 3bg5 s VAL 249 CO 0.20 -0.28 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.01 3bg5 s ILE 250 N -1.41 0.69 0.03 -0.62 1.09 -0.51 -1.80 121.20 118.67 3bg5 s ILE 250 Ca -0.02 -0.20 0.05 0.00 -1.10 0.00 0.00 60.65 59.38 3bg5 s ILE 250 Cb -0.09 -0.70 -0.02 0.00 -1.06 0.00 0.00 42.46 40.59 3bg5 s ILE 250 CO 0.02 0.26 -0.15 -0.83 -0.10 0.00 0.00 174.94 174.14 3bg5 s GLY 251 N 0.94 0.81 0.42 6.18 0.00 -1.11 -1.93 107.32 112.63 3bg5 s GLY 251 Ca -0.10 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 43.89 3bg5 s GLY 251 CO 0.00 -0.76 0.50 0.51 0.00 0.00 0.00 173.10 173.35 3bg5 s ASP 252 N -0.96 5.39 0.00 1.64 3.84 -1.00 0.15 116.67 125.73 3bg5 s ASP 252 Ca 0.03 -0.57 0.00 0.00 -0.00 0.00 0.00 52.55 52.01 3bg5 s ASP 252 Cb -0.07 -0.58 0.00 0.00 -1.38 0.00 0.00 42.92 40.88 3bg5 s ASP 252 CO 0.01 -0.74 0.97 -0.62 -0.00 0.00 0.00 175.17 174.79 3bg5 n GLU 253 N -1.74 0.67 -0.03 2.11 1.02 -1.26 -2.77 120.64 118.65 3bg5 n GLU 253 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3bg5 n GLU 253 Cb 0.60 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 1.10 0.00 -0.34 -0.32 8.25 -1.26 -5.04 115.22 117.60 3bg5 n HIS 254 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3bg5 n HIS 254 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 0.00 1.29 3.67 -1.41 0.00 -1.11 -5.03 105.19 102.60 3bg5 n GLY 255 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.11 7.14 -0.05 1.61 -0.87 -1.26 -4.96 114.94 113.44 3bg5 s ASN 256 Ca 0.00 1.41 0.02 0.00 -1.57 0.00 0.00 52.86 52.72 3bg5 s ASN 256 Cb 0.00 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.71 3bg5 s ASN 256 CO 0.00 -0.51 -0.10 -0.63 -2.57 0.00 0.00 177.10 173.29 3bg5 s ILE 257 N 2.44 0.94 0.20 0.60 1.01 -1.26 -2.38 121.20 122.75 3bg5 s ILE 257 Ca 0.45 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.80 3bg5 s ILE 257 Cb -0.17 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 3bg5 s ILE 257 CO 0.13 0.31 -0.15 0.68 0.00 0.00 0.00 174.94 175.91 3bg5 s VAL 258 N 0.67 1.76 -0.00 2.92 -7.23 -0.81 -5.02 120.40 112.68 3bg5 s VAL 258 Ca -0.13 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 57.89 3bg5 s VAL 258 Cb -0.15 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3bg5 s VAL 258 CO 0.02 -0.56 -0.04 -1.38 -0.31 0.00 0.00 175.10 172.84 3bg5 s HIS 259 N -2.86 2.97 -0.51 2.82 -3.43 -1.26 -1.42 115.29 111.60 3bg5 s HIS 259 Ca 0.22 0.02 0.02 0.00 -0.80 0.00 0.00 55.06 54.52 3bg5 s HIS 259 Cb -0.01 -1.64 0.58 0.00 -1.43 0.00 0.00 32.58 30.08 3bg5 s HIS 259 CO 0.07 0.41 1.91 1.28 -2.00 0.00 0.00 174.74 176.42 3bg5 n LEU 260 N 1.50 6.87 0.00 5.38 4.77 0.10 -4.97 117.00 130.64 3bg5 n LEU 260 Ca -0.15 -3.88 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 3bg5 n LEU 260 Cb 0.53 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3bg5 n LEU 260 CO 0.32 1.23 0.00 0.49 -1.33 0.00 0.00 177.39 178.10 3bg5 n PHE 261 N -1.06 -0.35 -4.52 -1.77 3.01 -1.26 -4.76 117.46 106.75 3bg5 n PHE 261 Ca 0.59 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.80 3bg5 n PHE 261 Cb 1.28 0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 40.73 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 1.76 -0.06 -1.08 4.04 -1.26 -1.79 118.70 120.31 3bg5 s GLU 262 Ca 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 54.97 53.07 3bg5 s GLU 262 Cb 0.00 -1.40 0.02 0.00 0.02 0.00 0.00 34.13 32.78 3bg5 s GLU 262 CO 0.00 0.00 -0.04 1.03 -1.84 0.00 0.00 175.26 174.41 3bg5 s ARG 263 N -3.72 0.86 -0.65 -4.83 0.52 -0.53 -4.33 118.95 106.28 3bg5 s ARG 263 Ca 0.33 -0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 55.18 3bg5 s ARG 263 Cb 0.06 -0.94 0.03 0.00 0.52 0.00 0.00 34.95 34.62 3bg5 s ARG 263 CO 0.16 -0.14 1.24 0.34 0.02 0.00 0.00 175.30 176.91 3bg5 s ASP 264 N 1.19 6.31 -0.43 0.23 3.68 0.33 -2.50 116.67 125.48 3bg5 s ASP 264 Ca -0.07 -0.12 0.04 0.00 2.13 0.00 0.00 52.55 54.53 3bg5 s ASP 264 Cb -0.14 -2.56 0.65 0.00 -1.45 0.00 0.00 42.92 39.43 3bg5 s ASP 264 CO -0.02 -1.64 1.87 0.00 0.13 0.00 0.00 175.17 175.52 3bg5 h SER 266 N 1.00 0.00 -1.51 0.00 0.02 -1.77 -3.41 113.55 107.89 3bg5 h SER 266 Ca 0.60 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 61.03 3bg5 h SER 266 Cb 2.75 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 65.22 3bg5 h SER 266 CO 1.04 0.62 1.23 -0.69 -1.14 0.00 0.00 176.83 177.89 3bg5 s VAL 267 N -3.29 3.72 -0.02 2.27 1.01 -1.23 -3.80 120.40 119.06 3bg5 s VAL 267 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3bg5 s VAL 267 Cb 0.11 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.78 3bg5 s VAL 267 CO 0.75 -1.63 0.05 0.00 0.00 0.00 0.00 175.10 174.27 3bg5 s GLN 268 N 5.78 0.04 -0.04 2.72 -2.07 -1.26 -0.63 119.66 124.20 3bg5 s GLN 268 Ca 0.49 0.09 -0.04 0.00 -1.82 0.00 0.00 55.36 54.08 3bg5 s GLN 268 Cb -0.05 -0.01 -0.02 0.00 -1.09 0.00 0.00 33.01 31.83 3bg5 s GLN 268 CO 0.02 -0.03 0.27 0.07 -1.32 0.00 0.00 175.29 174.31 3bg5 h ARG 269 N 6.25 -0.16 0.00 9.60 0.11 -1.77 -3.43 114.38 124.99 3bg5 h ARG 269 Ca -0.27 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3bg5 h ARG 269 Cb 1.20 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3bg5 h ARG 269 CO 0.48 -0.10 0.00 0.54 0.10 0.00 0.00 179.97 180.98 3bg5 n ARG 270 N -3.70 0.00 -0.05 0.08 1.74 -1.26 -4.70 116.66 108.77 3bg5 n ARG 270 Ca -0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 3bg5 n ARG 270 Cb 0.06 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.93 0.00 -1.74 -1.55 -0.00 -1.26 -5.02 115.22 104.72 3bg5 n HIS 271 Ca 0.00 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.76 3bg5 n HIS 271 Cb 0.00 -0.45 -0.03 0.00 -0.12 0.00 0.00 29.99 29.39 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 -2.22 4.15 0.34 1.57 0.74 -1.26 -4.98 119.66 117.99 3bg5 s GLN 272 Ca -0.06 2.55 -0.29 0.00 0.05 0.00 0.00 55.36 57.61 3bg5 s GLN 272 Cb 0.03 -3.73 -0.10 0.00 1.10 0.00 0.00 33.01 30.30 3bg5 s GLN 272 CO 0.36 -0.85 1.35 0.15 -0.55 0.00 0.00 175.29 175.74 3bg5 s LYS 273 N 3.14 4.30 -0.01 1.67 1.02 -1.26 -2.17 119.74 126.43 3bg5 s LYS 273 Ca 0.81 2.30 -0.00 0.00 0.02 0.00 0.00 55.97 59.10 3bg5 s LYS 273 Cb -0.44 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 3bg5 s LYS 273 CO 0.37 -0.27 -0.01 0.28 -0.92 0.00 0.00 175.35 174.79 3bg5 n VAL 274 N 0.77 0.06 -3.96 3.17 0.31 0.19 -4.90 118.33 113.97 3bg5 n VAL 274 Ca 0.00 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.15 3bg5 n VAL 274 Cb 0.41 -1.15 -0.16 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.02 0.21 0.10 2.52 1.01 -0.55 -4.27 120.40 117.39 3bg5 s VAL 275 Ca -0.02 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.09 3bg5 s VAL 275 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3bg5 s VAL 275 CO 0.02 0.14 -0.22 -1.61 0.00 0.00 0.00 175.10 173.43 3bg5 s GLU 276 N 0.83 1.73 -0.01 2.72 8.01 -0.86 -3.53 118.70 127.59 3bg5 s GLU 276 Ca -0.08 -1.18 0.03 0.00 0.01 0.00 0.00 54.97 53.74 3bg5 s GLU 276 Cb -0.12 -2.05 -0.01 0.00 -4.31 0.00 0.00 34.13 27.65 3bg5 s GLU 276 CO -0.01 0.49 -0.10 0.08 0.01 0.00 0.00 175.26 175.72 3bg5 s VAL 277 N -1.03 0.83 -0.01 2.63 1.01 -0.74 -1.72 120.40 121.37 3bg5 s VAL 277 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3bg5 s VAL 277 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3bg5 s VAL 277 CO 0.07 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.41 3bg5 s ALA 278 N -0.19 0.16 0.87 5.51 0.00 -0.26 0.12 121.76 127.97 3bg5 s ALA 278 Ca 0.03 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 3bg5 s ALA 278 Cb -0.05 -0.16 0.13 0.00 0.00 0.00 0.00 23.12 23.04 3bg5 s ALA 278 CO -0.00 -0.03 1.24 -1.25 0.00 0.00 0.00 175.76 175.71 3bg5 s PRO 279 N 0.54 1.37 0.26 0.00 0.04 -1.26 0.34 135.00 136.30 3bg5 s PRO 279 Ca -0.05 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.54 3bg5 s PRO 279 Cb -0.07 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 3bg5 s PRO 279 CO -0.01 -1.95 1.40 0.45 0.04 0.00 0.00 177.00 176.92 3bg5 n SER 280 N -3.51 2.84 -4.79 6.66 2.88 -1.26 -4.84 113.62 111.60 3bg5 n SER 280 Ca 0.11 1.16 -0.38 0.00 -1.33 0.00 0.00 58.87 58.43 3bg5 n SER 280 Cb 0.60 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 62.55 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 -0.26 5.12 0.00 2.46 1.01 -1.26 -4.43 120.40 123.04 3bg5 s VAL 281 Ca 0.65 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3bg5 s VAL 281 Cb -0.62 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3bg5 s VAL 281 CO 0.52 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.72 3bg5 n GLY 282 N 2.40 2.39 3.69 4.51 0.00 -1.26 -4.58 105.19 112.34 3bg5 n GLY 282 Ca -0.12 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3bg5 n GLY 282 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bg5 s LEU 283 N 0.00 4.40 0.52 0.99 0.20 -1.26 -4.92 118.68 118.61 3bg5 s LEU 283 Ca 0.00 2.78 -0.23 0.00 0.69 0.00 0.00 54.13 57.37 3bg5 s LEU 283 Cb 0.00 -3.57 -0.06 0.00 -0.43 0.00 0.00 46.19 42.13 3bg5 s LEU 283 CO 0.00 -1.02 1.39 -1.54 -0.29 0.00 0.00 176.35 174.89 3bg5 n SER 284 N 5.76 2.93 -0.27 3.68 3.41 -1.26 -4.79 113.62 123.08 3bg5 n SER 284 Ca 0.18 1.03 0.16 0.00 -0.26 0.00 0.00 58.87 59.98 3bg5 n SER 284 Cb 0.38 -1.59 0.44 0.00 -0.26 0.00 0.00 64.21 63.18 3bg5 n SER 284 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bg5 h PRO 285 N 1.73 0.53 -0.07 4.33 0.11 -2.00 -1.79 132.00 134.83 3bg5 h PRO 285 Ca -0.51 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 3bg5 h PRO 285 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3bg5 h PRO 285 CO 0.58 0.35 -0.60 1.79 -0.21 0.00 0.00 178.00 179.92 3bg5 h THR 286 N 0.54 1.39 0.48 -1.15 1.35 -2.00 -2.49 112.91 111.03 3bg5 h THR 286 Ca 0.49 -1.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 3bg5 h THR 286 Cb 1.01 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3bg5 h THR 286 CO -0.22 0.58 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.33 3bg5 h LEU 287 N 0.17 -0.54 -0.79 3.87 3.38 -1.73 -2.88 115.31 116.78 3bg5 h LEU 287 Ca -0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3bg5 h LEU 287 Cb 1.09 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 3bg5 h LEU 287 CO 0.09 -0.32 -0.37 -1.14 0.09 0.00 0.00 178.44 176.79 3bg5 n ARG 288 N -4.13 -0.25 -0.02 1.13 0.63 -0.75 -0.91 116.66 112.36 3bg5 n ARG 288 Ca -0.08 1.21 -0.09 0.00 -0.92 0.00 0.00 57.85 57.97 3bg5 n ARG 288 Cb 0.25 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 31.34 3bg5 n ARG 288 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3bg5 h GLN 289 N 0.00 -0.04 -0.56 -0.14 5.75 -1.51 0.92 115.11 119.53 3bg5 h GLN 289 Ca 0.22 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 3bg5 h GLN 289 Cb 0.42 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 3bg5 h GLN 289 CO -0.77 -0.02 -0.01 0.00 -2.65 0.00 0.00 178.83 175.37 3bg5 h ARG 290 N -0.04 1.00 -0.22 1.69 3.08 -0.91 0.29 114.38 119.27 3bg5 h ARG 290 Ca 0.08 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3bg5 h ARG 290 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3bg5 h ARG 290 CO -0.18 1.00 0.11 0.82 -1.07 0.00 0.00 179.97 180.65 3bg5 h ILE 291 N 0.89 1.14 -0.30 2.04 2.04 -0.64 0.27 117.51 122.95 3bg5 h ILE 291 Ca 0.16 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3bg5 h ILE 291 Cb 0.56 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3bg5 h ILE 291 CO 0.03 0.13 0.13 0.00 0.00 0.00 0.00 178.15 178.44 3bg5 h ASP 293 N 0.34 0.93 -0.43 0.00 3.32 -0.23 -1.30 116.42 119.05 3bg5 h ASP 293 Ca 0.10 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3bg5 h ASP 293 Cb 0.16 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3bg5 h ASP 293 CO -0.01 0.66 -0.21 0.00 -1.72 0.00 0.00 179.24 177.96 3bg5 h ALA 294 N 1.49 0.75 -0.82 3.45 0.00 -0.28 0.11 119.26 123.95 3bg5 h ALA 294 Ca 0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3bg5 h ALA 294 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3bg5 h ALA 294 CO -0.08 0.67 0.48 0.00 0.00 0.00 0.00 179.25 180.31 3bg5 h ALA 295 N 0.93 1.05 -0.14 0.00 0.00 -0.58 -2.26 119.26 118.26 3bg5 h ALA 295 Ca 0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3bg5 h ALA 295 Cb 0.77 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3bg5 h ALA 295 CO 0.06 0.53 -0.30 0.82 0.00 0.00 0.00 179.25 180.36 3bg5 h ILE 296 N 1.13 1.37 -0.88 0.00 2.04 -1.12 -2.66 117.51 117.40 3bg5 h ILE 296 Ca 0.29 -1.57 0.13 0.00 1.00 0.00 0.00 64.86 64.71 3bg5 h ILE 296 Cb -0.02 2.02 -0.14 0.00 -0.74 0.00 0.00 36.82 37.95 3bg5 h ILE 296 CO -0.05 0.47 -0.36 0.00 0.00 0.00 0.00 178.15 178.21 3bg5 n GLN 297 N -4.39 -0.22 0.02 2.37 1.13 0.35 -0.19 117.38 116.45 3bg5 n GLN 297 Ca -0.07 1.35 -0.13 0.00 -1.94 0.00 0.00 57.00 56.21 3bg5 n GLN 297 Cb 0.48 -2.00 -0.09 0.00 0.11 0.00 0.00 30.24 28.74 3bg5 n GLN 297 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3bg5 h LEU 298 N 0.00 -0.03 -0.35 1.08 5.85 -1.34 -2.76 115.31 117.76 3bg5 h LEU 298 Ca 0.29 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 3bg5 h LEU 298 Cb 0.51 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3bg5 h LEU 298 CO -0.87 0.26 -0.78 0.24 -0.34 0.00 0.00 178.44 176.96 3bg5 h MET 299 N -0.33 0.00 -0.36 1.25 2.86 -1.05 -2.74 114.93 114.55 3bg5 h MET 299 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 3bg5 h MET 299 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3bg5 h MET 299 CO 0.01 0.78 -0.08 1.49 1.06 0.00 0.00 176.91 180.17 3bg5 h GLU 300 N 0.00 0.61 0.02 1.72 4.57 -0.62 -1.96 114.58 118.92 3bg5 h GLU 300 Ca -0.01 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3bg5 h GLU 300 Cb 1.43 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 3bg5 h GLU 300 CO 0.10 0.69 -0.01 -0.97 -1.18 0.00 0.00 179.01 177.64 3bg5 h ASN 301 N 0.57 -0.03 0.24 1.04 -1.24 -1.32 -3.28 115.58 111.56 3bg5 h ASN 301 Ca 0.11 -0.49 0.00 0.00 0.71 0.00 0.00 56.30 56.63 3bg5 h ASN 301 Cb 0.48 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3bg5 h ASN 301 CO 0.03 0.48 -0.02 2.30 -1.29 0.00 0.00 177.43 178.93 3bg5 n ILE 302 N -4.86 0.00 -3.10 2.57 -5.35 -1.05 -4.93 119.36 102.64 3bg5 n ILE 302 Ca -0.09 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.24 3bg5 n ILE 302 Cb 0.26 -0.39 0.07 0.00 -1.74 0.00 0.00 39.64 37.84 3bg5 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3bg5 n LYS 303 N -1.02 -2.74 -2.36 6.28 5.02 -1.02 -4.96 118.16 117.35 3bg5 n LYS 303 Ca 0.19 0.77 -0.38 0.00 -2.02 0.00 0.00 58.31 56.87 3bg5 n LYS 303 Cb 0.19 -5.39 -0.03 0.00 -0.02 0.00 0.00 35.03 29.78 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 -3.34 3.18 0.02 2.13 6.14 -0.77 -4.97 117.35 119.74 3bg5 s TYR 304 Ca 0.33 1.59 0.08 0.00 0.64 0.00 0.00 57.07 59.71 3bg5 s TYR 304 Cb -0.04 -3.33 -0.02 0.00 0.42 0.00 0.00 41.96 38.98 3bg5 s TYR 304 CO 0.66 -1.09 -0.24 0.08 0.64 0.00 0.00 175.55 175.60 3bg5 s VAL 305 N -1.42 1.92 0.00 3.14 1.01 -1.26 -4.47 120.40 119.32 3bg5 s VAL 305 Ca 0.55 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3bg5 s VAL 305 Cb -0.29 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3bg5 s VAL 305 CO 0.37 0.38 0.00 -3.20 0.00 0.00 0.00 175.10 172.66 3bg5 n ASN 306 N 2.06 -2.32 -4.74 3.32 2.85 0.41 -3.39 115.26 113.45 3bg5 n ASN 306 Ca -0.16 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.89 3bg5 n ASN 306 Cb 0.52 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.50 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 -1.44 3.38 0.08 5.20 0.00 -1.26 -2.76 121.76 124.96 3bg5 s ALA 307 Ca 0.00 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 3bg5 s ALA 307 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3bg5 s ALA 307 CO 0.00 -0.26 0.34 0.20 0.00 0.00 0.00 175.76 176.04 3bg5 s GLY 308 N 0.03 -0.17 -0.06 0.00 0.00 -0.74 -3.08 107.32 103.30 3bg5 s GLY 308 Ca 0.51 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.21 3bg5 s GLY 308 CO 0.35 -0.28 -0.14 -1.59 0.00 0.00 0.00 173.10 171.44 3bg5 s THR 309 N -3.16 1.21 -0.31 0.90 2.01 -0.26 -1.17 115.64 114.86 3bg5 s THR 309 Ca -0.01 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 3bg5 s THR 309 Cb 0.01 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 3bg5 s THR 309 CO -0.07 0.37 0.16 -0.69 -0.69 0.00 0.00 174.62 173.69 3bg5 s VAL 310 N 0.46 4.70 -0.16 3.82 1.01 -0.53 0.39 120.40 130.10 3bg5 s VAL 310 Ca -0.11 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3bg5 s VAL 310 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3bg5 s VAL 310 CO 0.03 0.10 0.48 -1.61 0.00 0.00 0.00 175.10 174.10 3bg5 s GLU 311 N 1.64 4.27 0.39 2.72 2.02 0.25 -1.01 118.70 128.98 3bg5 s GLU 311 Ca 0.05 0.40 0.08 0.00 0.02 0.00 0.00 54.97 55.52 3bg5 s GLU 311 Cb -0.17 -3.49 -0.08 0.00 0.10 0.00 0.00 34.13 30.50 3bg5 s GLU 311 CO 0.07 0.03 -0.02 -0.06 0.02 0.00 0.00 175.26 175.30 3bg5 s PHE 312 N 1.04 2.47 -0.02 1.61 0.40 0.48 -0.86 117.98 123.11 3bg5 s PHE 312 Ca 0.24 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3bg5 s PHE 312 Cb -0.15 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 3bg5 s PHE 312 CO 0.10 0.48 -0.15 -1.17 0.70 0.00 0.00 175.22 175.18 3bg5 s LEU 313 N -3.68 2.00 -0.17 -0.37 2.96 0.76 -3.01 118.68 117.17 3bg5 s LEU 313 Ca 0.34 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3bg5 s LEU 313 Cb 0.08 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 46.00 3bg5 s LEU 313 CO 0.17 0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.52 3bg5 s VAL 314 N -0.28 2.46 0.00 1.68 1.01 -0.38 -0.50 120.40 124.38 3bg5 s VAL 314 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3bg5 s VAL 314 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3bg5 s VAL 314 CO -0.00 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.37 3bg5 n SER 315 N 4.38 0.00 0.00 3.32 2.88 -0.71 -1.86 113.62 121.63 3bg5 n SER 315 Ca -0.20 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3bg5 n SER 315 Cb 0.51 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 3bg5 n SER 315 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bg5 n GLY 317 N 1.96 -0.39 0.93 0.46 0.00 -1.26 -4.84 105.19 102.06 3bg5 n GLY 317 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3bg5 n GLY 317 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bg5 n ASP 318 N -1.54 3.23 -4.31 1.61 -0.08 -1.26 -5.00 116.55 109.20 3bg5 n ASP 318 Ca 0.00 -1.94 -0.21 0.00 -1.51 0.00 0.00 54.79 51.13 3bg5 n ASP 318 Cb 0.00 -0.29 -0.11 0.00 2.34 0.00 0.00 41.12 43.06 3bg5 n ASP 318 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3bg5 s GLU 319 N -1.09 1.21 0.03 -0.67 2.12 -1.26 -4.98 118.70 114.06 3bg5 s GLU 319 Ca 0.33 -1.37 0.01 0.00 0.36 0.00 0.00 54.97 54.30 3bg5 s GLU 319 Cb 0.18 -1.22 -0.02 0.00 0.26 0.00 0.00 34.13 33.33 3bg5 s GLU 319 CO 0.24 0.24 -0.05 -0.59 -0.54 0.00 0.00 175.26 174.57 3bg5 s PHE 320 N -2.09 0.40 -0.04 5.30 -0.71 -1.26 -1.73 117.98 117.86 3bg5 s PHE 320 Ca 0.14 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.60 3bg5 s PHE 320 Cb -0.05 -0.26 0.01 0.00 -1.21 0.00 0.00 43.02 41.51 3bg5 s PHE 320 CO 0.06 -0.13 -0.08 -0.06 -1.34 0.00 0.00 175.22 173.67 3bg5 s PHE 321 N -1.24 0.93 0.14 3.49 0.40 0.34 -4.75 117.98 117.28 3bg5 s PHE 321 Ca -0.11 -0.26 -0.31 0.00 -0.60 0.00 0.00 56.93 55.65 3bg5 s PHE 321 Cb -0.09 -0.71 -0.08 0.00 0.51 0.00 0.00 43.02 42.65 3bg5 s PHE 321 CO -0.00 -0.15 1.38 0.12 0.70 0.00 0.00 175.22 177.27 3bg5 s PHE 322 N 0.46 3.23 -0.07 0.36 2.19 0.43 -0.17 117.98 124.40 3bg5 s PHE 322 Ca -0.07 1.00 -0.09 0.00 0.33 0.00 0.00 56.93 58.09 3bg5 s PHE 322 Cb -0.11 -3.68 -0.03 0.00 -1.31 0.00 0.00 43.02 37.89 3bg5 s PHE 322 CO 0.01 -2.34 -0.18 -0.89 1.83 0.00 0.00 175.22 173.65 3bg5 n ILE 323 N 3.61 0.97 -3.63 3.12 2.08 -0.04 -4.27 119.36 121.18 3bg5 n ILE 323 Ca 0.10 0.26 -0.09 0.00 0.56 0.00 0.00 62.75 63.59 3bg5 n ILE 323 Cb 0.42 -1.91 -0.02 0.00 -0.75 0.00 0.00 39.64 37.39 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 -2.13 1.39 -0.09 0.38 -1.05 -1.11 -4.97 118.70 111.12 3bg5 s GLU 324 Ca -0.15 -0.66 0.02 0.00 -0.15 0.00 0.00 54.97 54.03 3bg5 s GLU 324 Cb 0.02 0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 3bg5 s GLU 324 CO 0.22 -0.63 -0.14 0.08 0.95 0.00 0.00 175.26 175.74 3bg5 s VAL 325 N -3.67 3.00 -0.50 1.83 1.01 -1.26 0.85 120.40 121.66 3bg5 s VAL 325 Ca 0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3bg5 s VAL 325 Cb -0.03 -2.21 0.12 0.00 0.00 0.00 0.00 36.38 34.26 3bg5 s VAL 325 CO -0.03 0.56 0.43 0.20 0.00 0.00 0.00 175.10 176.25 3bg5 s ASN 326 N -0.19 6.01 -0.01 3.32 0.01 0.16 -4.95 114.94 119.29 3bg5 s ASN 326 Ca 0.00 -1.74 -0.06 0.00 -0.71 0.00 0.00 52.86 50.36 3bg5 s ASN 326 Cb -0.13 -2.14 -0.25 0.00 0.41 0.00 0.00 41.25 39.14 3bg5 s ASN 326 CO 0.03 -0.76 3.52 -0.81 -1.51 0.00 0.00 177.10 177.57 3bg5 n PRO 327 N 5.13 1.96 -3.84 -0.60 -0.04 -1.26 -1.10 135.00 135.25 3bg5 n PRO 327 Ca -0.12 -0.99 -0.01 0.00 -0.04 0.00 0.00 63.50 62.35 3bg5 n PRO 327 Cb 0.41 -1.95 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 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 0.87 0.85 0.63 0.54 1.04 -1.18 -4.55 118.95 117.16 3bg5 s ARG 328 Ca 0.63 -0.53 -0.18 0.00 -1.04 0.00 0.00 55.73 54.62 3bg5 s ARG 328 Cb 0.31 0.25 -0.02 0.00 -2.04 0.00 0.00 34.95 33.45 3bg5 s ARG 328 CO -0.01 -0.40 1.23 0.14 -0.04 0.00 0.00 175.30 176.23 3bg5 s VAL 329 N -2.35 2.41 0.22 4.99 -7.23 -1.26 -4.38 120.40 112.80 3bg5 s VAL 329 Ca 0.21 0.24 0.08 0.00 -1.81 0.00 0.00 61.98 60.70 3bg5 s VAL 329 Cb -0.00 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 3bg5 s VAL 329 CO 0.01 -0.07 0.07 -1.10 -0.31 0.00 0.00 175.10 173.71 3bg5 s GLN 330 N -3.46 2.58 0.25 4.82 -0.21 -1.26 -4.57 119.66 117.81 3bg5 s GLN 330 Ca 0.78 -1.15 -0.04 0.00 0.02 0.00 0.00 55.36 54.98 3bg5 s GLN 330 Cb -0.32 -2.40 0.46 0.00 1.00 0.00 0.00 33.01 31.75 3bg5 s GLN 330 CO 0.37 0.42 1.76 0.28 -2.12 0.00 0.00 175.29 176.00 3bg5 h VAL 331 N 1.99 0.74 -0.09 1.09 2.07 -1.99 -2.27 116.25 117.79 3bg5 h VAL 331 Ca -0.47 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3bg5 h VAL 331 Cb 1.22 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3bg5 h VAL 331 CO 0.60 0.10 0.00 -1.84 0.02 0.00 0.00 177.57 176.45 3bg5 n GLU 332 N -4.91 1.30 -0.26 1.57 0.00 -1.26 -4.17 120.64 112.92 3bg5 n GLU 332 Ca 0.15 -0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.05 3bg5 n GLU 332 Cb 0.38 -1.22 0.38 0.00 0.00 0.00 0.00 31.44 30.98 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 0.56 0.80 -0.74 -1.84 2.07 -1.82 -2.78 115.15 111.40 3bg5 h HIS 333 Ca 0.00 0.02 0.16 0.00 -2.85 0.00 0.00 60.37 57.70 3bg5 h HIS 333 Cb 0.28 -0.25 -0.14 0.00 2.57 0.00 0.00 27.41 29.87 3bg5 h HIS 333 CO 0.09 0.31 -0.11 1.15 -3.07 0.00 0.00 177.93 176.30 3bg5 h THR 334 N 0.69 0.29 -0.72 6.12 2.02 -1.85 -0.95 112.91 118.53 3bg5 h THR 334 Ca 0.43 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.74 3bg5 h THR 334 Cb 0.67 0.26 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 3bg5 h THR 334 CO -0.19 0.01 0.23 -0.29 0.37 0.00 0.00 175.52 175.65 3bg5 h ILE 335 N 0.04 0.61 -0.51 3.11 2.10 -1.84 -0.83 117.51 120.19 3bg5 h ILE 335 Ca 0.38 -0.12 -0.13 0.00 1.08 0.00 0.00 64.86 66.07 3bg5 h ILE 335 Cb 0.61 0.23 -0.02 0.00 -1.09 0.00 0.00 36.82 36.56 3bg5 h ILE 335 CO -0.72 0.06 -0.17 0.74 -1.08 0.00 0.00 178.15 176.98 3bg5 h THR 336 N 0.35 1.27 -0.22 2.19 2.02 -1.34 -3.00 112.91 114.18 3bg5 h THR 336 Ca 0.39 -1.34 0.01 0.00 0.77 0.00 0.00 66.41 66.25 3bg5 h THR 336 Cb 0.62 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3bg5 h THR 336 CO -0.43 0.47 0.11 -0.33 0.37 0.00 0.00 175.52 175.71 3bg5 h GLU 337 N 0.88 0.23 -0.80 6.66 5.08 -0.82 -1.40 114.58 124.42 3bg5 h GLU 337 Ca 0.12 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3bg5 h GLU 337 Cb 0.75 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3bg5 h GLU 337 CO 0.06 0.16 0.53 0.52 -1.00 0.00 0.00 179.01 179.27 3bg5 h MET 338 N 0.24 1.01 0.00 2.33 2.86 -1.19 0.96 114.93 121.15 3bg5 h MET 338 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3bg5 h MET 338 Cb 0.01 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 3bg5 h MET 338 CO -0.06 0.67 -0.67 -0.39 1.06 0.00 0.00 176.91 177.53 3bg5 h VAL 339 N 1.04 0.11 0.00 -2.22 -1.51 -1.39 -3.38 116.25 108.91 3bg5 h VAL 339 Ca 0.30 -1.19 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 3bg5 h VAL 339 Cb -0.06 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3bg5 h VAL 339 CO -0.08 0.06 -1.39 0.35 -1.23 0.00 0.00 177.57 175.29 3bg5 n THR 340 N -2.88 0.03 -0.67 7.19 -2.24 -0.54 -0.53 114.28 114.63 3bg5 n THR 340 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3bg5 n THR 340 Cb 0.59 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 2.05 1.01 3.67 3.38 0.00 0.33 -4.91 105.19 110.71 3bg5 n GLY 341 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.41 5.02 -0.83 -0.61 1.09 -1.25 -5.01 121.20 116.20 3bg5 s ILE 342 Ca 0.00 1.23 -0.26 0.00 -1.10 0.00 0.00 60.65 60.52 3bg5 s ILE 342 Cb 0.00 -3.96 0.04 0.00 -1.06 0.00 0.00 42.46 37.48 3bg5 s ILE 342 CO 0.00 0.13 1.34 -0.62 -0.10 0.00 0.00 174.94 175.69 3bg5 s ASP 343 N 1.11 6.28 0.14 3.58 3.68 -1.26 -4.43 116.67 125.77 3bg5 s ASP 343 Ca 0.30 -0.80 -0.18 0.00 2.13 0.00 0.00 52.55 54.00 3bg5 s ASP 343 Cb -0.16 -2.56 -0.01 0.00 -1.45 0.00 0.00 42.92 38.74 3bg5 s ASP 343 CO 0.11 -1.72 1.75 0.40 0.13 0.00 0.00 175.17 175.84 3bg5 h ILE 344 N 6.29 0.92 0.09 4.11 2.04 -1.95 -0.33 117.51 128.68 3bg5 h ILE 344 Ca -0.12 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3bg5 h ILE 344 Cb 1.04 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3bg5 h ILE 344 CO 1.33 0.04 -0.04 0.58 0.00 0.00 0.00 178.15 180.05 3bg5 h VAL 345 N 0.19 0.99 -0.75 1.67 2.07 -1.98 0.15 116.25 118.59 3bg5 h VAL 345 Ca 0.11 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3bg5 h VAL 345 Cb 0.09 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3bg5 h VAL 345 CO -0.13 0.07 0.50 0.50 0.02 0.00 0.00 177.57 178.53 3bg5 h LYS 346 N -0.24 0.99 -0.56 1.57 3.64 -1.92 -2.15 116.57 117.90 3bg5 h LYS 346 Ca -0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3bg5 h LYS 346 Cb 0.20 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3bg5 h LYS 346 CO 0.02 0.66 0.33 1.15 -2.27 0.00 0.00 179.45 179.34 3bg5 h THR 347 N 1.02 1.17 -0.47 1.00 2.02 -0.44 -2.47 112.91 114.73 3bg5 h THR 347 Ca 0.27 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 67.16 3bg5 h THR 347 Cb -0.12 0.42 -0.09 0.00 -1.74 0.00 0.00 68.15 66.63 3bg5 h THR 347 CO -0.06 0.18 -0.09 1.56 0.37 0.00 0.00 175.52 177.48 3bg5 h GLN 348 N 0.75 0.02 -0.69 6.66 4.20 -0.07 -0.98 115.11 125.00 3bg5 h GLN 348 Ca 0.20 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3bg5 h GLN 348 Cb -0.01 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3bg5 h GLN 348 CO -0.04 0.01 0.40 0.82 -0.67 0.00 0.00 178.83 179.35 3bg5 h ILE 349 N 0.02 1.21 0.00 2.54 2.04 -1.27 -2.50 117.51 119.55 3bg5 h ILE 349 Ca 0.23 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3bg5 h ILE 349 Cb 0.35 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3bg5 h ILE 349 CO -0.47 0.22 -0.37 -0.07 0.00 0.00 0.00 178.15 177.47 3bg5 h LEU 350 N 0.94 0.00 -0.45 1.44 3.38 -0.93 -1.50 115.31 118.19 3bg5 h LEU 350 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 3bg5 h LEU 350 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3bg5 h LEU 350 CO -0.04 0.37 -0.66 0.58 0.09 0.00 0.00 178.44 178.77 3bg5 h VAL 351 N 0.00 1.35 0.00 1.22 2.07 -0.90 -0.89 116.25 119.11 3bg5 h VAL 351 Ca -0.00 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.47 3bg5 h VAL 351 Cb 0.80 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3bg5 h VAL 351 CO 0.05 0.61 -0.23 0.00 0.02 0.00 0.00 177.57 178.01 3bg5 h ALA 352 N 0.95 1.01 -0.00 1.67 0.00 -1.07 -2.89 119.26 118.92 3bg5 h ALA 352 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3bg5 h ALA 352 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3bg5 h ALA 352 CO 0.12 0.29 -0.06 0.00 0.00 0.00 0.00 179.25 179.60 3bg5 n ALA 353 N -2.22 2.65 0.00 0.00 0.00 -0.60 -4.92 120.51 115.42 3bg5 n ALA 353 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3bg5 n ALA 353 Cb 0.44 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.28 2.38 3.07 0.00 0.00 -1.07 -3.29 105.19 107.55 3bg5 n GLY 354 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3bg5 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 n ALA 355 N -0.08 -2.84 -2.38 4.61 0.00 -0.36 -4.70 120.51 114.76 3bg5 n ALA 355 Ca 0.00 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 3bg5 n ALA 355 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 3bg5 n ALA 355 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bg5 s ASP 356 N -0.92 7.19 -0.05 0.00 -1.08 -1.26 -4.62 116.67 115.92 3bg5 s ASP 356 Ca 0.56 1.42 -0.00 0.00 -0.52 0.00 0.00 52.55 54.01 3bg5 s ASP 356 Cb -0.65 -2.46 0.04 0.00 -1.46 0.00 0.00 42.92 38.39 3bg5 s ASP 356 CO 0.57 0.04 1.97 0.00 0.52 0.00 0.00 175.17 178.27 3bg5 n LEU 357 N 2.71 5.47 0.00 -1.34 -0.00 -1.26 -1.79 117.00 120.78 3bg5 n LEU 357 Ca -0.03 -2.53 0.00 0.00 -0.00 0.00 0.00 56.01 53.45 3bg5 n LEU 357 Cb 0.50 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 3bg5 n LEU 357 CO 0.47 1.03 0.00 0.49 -0.00 0.00 0.00 177.39 179.38 3bg5 n PHE 357 N 1.27 0.00 -1.46 1.47 3.01 -1.26 -3.60 117.46 116.89 3bg5 n PHE 357 Ca 0.05 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.46 3bg5 n PHE 357 Cb 0.52 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.02 3bg5 n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 357 N 0.00 -0.69 0.37 1.37 0.00 -0.74 -4.63 105.19 100.87 3bg5 n GLY 357 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.35 3bg5 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bg5 h GLU 358 N 0.00 0.84 0.13 1.61 4.39 -2.01 -1.25 114.58 118.29 3bg5 h GLU 358 Ca -0.07 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3bg5 h GLU 358 Cb 0.21 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3bg5 h GLU 358 CO 0.06 0.56 -0.06 0.93 -1.16 0.00 0.00 179.01 179.33 3bg5 h GLU 359 N 0.87 -0.17 0.08 2.33 3.07 -1.94 -3.39 114.58 115.43 3bg5 h GLU 359 Ca 0.43 0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 59.13 3bg5 h GLU 359 Cb 0.47 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3bg5 h GLU 359 CO -0.19 0.23 -0.84 0.82 -1.40 0.00 0.00 179.01 177.63 3bg5 h ILE 360 N -0.94 1.38 -5.97 3.13 2.04 -1.72 -3.49 117.51 111.93 3bg5 h ILE 360 Ca -0.02 -2.41 -0.40 0.00 1.00 0.00 0.00 64.86 63.03 3bg5 h ILE 360 Cb 0.48 3.00 0.08 0.00 -0.74 0.00 0.00 36.82 39.64 3bg5 h ILE 360 CO 0.03 0.64 -0.77 0.59 0.00 0.00 0.00 178.15 178.64 3bg5 n ASN 361 N -4.22 -3.02 -4.68 1.72 5.03 -0.48 -4.94 115.26 104.68 3bg5 n ASN 361 Ca -0.18 -0.71 -0.42 0.00 0.87 0.00 0.00 54.58 54.14 3bg5 n ASN 361 Cb 0.75 -4.48 -0.03 0.00 -1.02 0.00 0.00 39.78 35.00 3bg5 n ASN 361 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3bg5 s MET 362 N -6.00 4.22 0.54 3.52 -1.94 -1.24 -4.97 119.30 113.43 3bg5 s MET 362 Ca 0.23 2.16 -0.22 0.00 -1.71 0.00 0.00 55.69 56.15 3bg5 s MET 362 Cb -0.11 -3.71 -0.05 0.00 2.01 0.00 0.00 34.83 32.97 3bg5 s MET 362 CO 0.78 -0.72 1.36 -2.30 -0.01 0.00 0.00 175.02 174.13 3bg5 n PRO 362 N 5.99 1.74 -1.68 2.03 -0.02 -1.26 -4.57 135.00 137.23 3bg5 n PRO 362 Ca 0.15 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.90 3bg5 n PRO 362 Cb 0.42 -2.58 0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3bg5 n PRO 362 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3bg5 n GLN 363 N -0.93 1.05 -0.27 -0.52 -0.06 -1.26 -4.71 117.38 110.68 3bg5 n GLN 363 Ca 0.10 0.41 0.09 0.00 -2.00 0.00 0.00 57.00 55.60 3bg5 n GLN 363 Cb 0.44 -2.39 0.23 0.00 -4.06 0.00 0.00 30.24 24.46 3bg5 n GLN 363 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 3bg5 h GLN 364 N 0.55 0.24 -0.93 3.69 5.75 -1.95 0.29 115.11 122.75 3bg5 h GLN 364 Ca -0.50 -0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.19 3bg5 h GLN 364 Cb 1.35 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.77 3bg5 h GLN 364 CO 0.52 0.16 0.61 0.87 -2.65 0.00 0.00 178.83 178.34 3bg5 h LYS 365 N 0.25 0.47 -0.00 1.69 1.79 -2.01 -2.78 116.57 115.98 3bg5 h LYS 365 Ca 0.48 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 3bg5 h LYS 365 Cb 0.88 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3bg5 h LYS 365 CO -0.58 0.31 -0.77 -0.25 -1.08 0.00 0.00 179.45 177.08 3bg5 n ASP 366 N -4.56 0.85 -4.65 0.86 8.00 0.97 -4.83 116.55 113.19 3bg5 n ASP 366 Ca 0.20 -0.73 -0.43 0.00 0.71 0.00 0.00 54.79 54.54 3bg5 n ASP 366 Cb 0.68 0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 42.43 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 -2.97 4.30 0.09 0.53 1.01 -0.86 -4.93 121.20 118.38 3bg5 s ILE 367 Ca 0.10 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.31 3bg5 s ILE 367 Cb 0.17 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3bg5 s ILE 367 CO 0.78 -0.22 0.05 0.35 0.00 0.00 0.00 174.94 175.90 3bg5 n THR 368 N 5.56 0.00 -4.63 2.92 -2.24 -1.26 -5.01 114.28 109.62 3bg5 n THR 368 Ca 0.14 -0.59 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 3bg5 n THR 368 Cb 0.45 0.24 -0.17 0.00 -2.10 0.00 0.00 70.33 68.76 3bg5 n THR 368 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3bg5 s THR 369 N -2.08 1.98 -0.39 4.28 -4.23 -1.26 -4.43 115.64 109.51 3bg5 s THR 369 Ca 0.07 -0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 59.49 3bg5 s THR 369 Cb 0.00 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.10 3bg5 s THR 369 CO 0.05 0.53 0.37 -0.22 -0.54 0.00 0.00 174.62 174.81 3bg5 s LEU 370 N 0.85 4.79 0.00 4.79 2.96 0.31 -4.99 118.68 127.39 3bg5 s LEU 370 Ca -0.07 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 3bg5 s LEU 370 Cb -0.15 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.24 3bg5 s LEU 370 CO -0.02 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 3bg5 n GLY 371 N 5.08 -0.56 3.19 7.98 0.00 -1.26 -4.53 105.19 115.09 3bg5 n GLY 371 Ca -0.09 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 1.33 -0.00 1.61 1.51 -0.65 -4.46 117.35 116.69 3bg5 s TYR 372 Ca 0.00 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 3bg5 s TYR 372 Cb 0.00 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 3bg5 s TYR 372 CO 0.00 0.08 -0.15 0.00 -1.11 0.00 0.00 175.55 174.36 3bg5 s ALA 373 N -1.14 1.28 -0.04 3.71 0.00 0.15 -2.49 121.76 123.23 3bg5 s ALA 373 Ca 0.01 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.30 3bg5 s ALA 373 Cb -0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 3bg5 s ALA 373 CO 0.02 0.30 -0.16 0.42 0.00 0.00 0.00 175.76 176.34 3bg5 s ILE 374 N -0.46 1.37 0.05 0.00 1.01 -0.17 -1.10 121.20 121.90 3bg5 s ILE 374 Ca 0.05 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.08 3bg5 s ILE 374 Cb -0.06 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3bg5 s ILE 374 CO -0.00 0.40 -0.18 -1.58 0.00 0.00 0.00 174.94 173.58 3bg5 s GLN 375 N 0.05 1.14 0.10 2.79 0.74 -0.70 -0.45 119.66 123.33 3bg5 s GLN 375 Ca -0.04 -0.89 -0.10 0.00 0.05 0.00 0.00 55.36 54.39 3bg5 s GLN 375 Cb -0.11 -1.22 0.00 0.00 1.10 0.00 0.00 33.01 32.78 3bg5 s GLN 375 CO 0.02 0.30 0.23 0.00 -0.55 0.00 0.00 175.29 175.30 3bg5 s ARG 377 N -3.86 3.43 -0.21 0.00 0.52 -1.26 -1.03 118.95 116.54 3bg5 s ARG 377 Ca 0.05 -0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 3bg5 s ARG 377 Cb 0.04 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.55 3bg5 s ARG 377 CO -0.11 -0.09 1.20 0.42 0.02 0.00 0.00 175.30 176.75 3bg5 s ILE 378 N 1.20 4.37 0.45 1.52 -1.09 0.64 -4.97 121.20 123.32 3bg5 s ILE 378 Ca 0.02 1.64 0.01 0.00 -2.23 0.00 0.00 60.65 60.10 3bg5 s ILE 378 Cb -0.14 -4.12 -0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3bg5 s ILE 378 CO -0.01 -0.21 0.05 0.35 -1.23 0.00 0.00 174.94 173.88 3bg5 n THR 379 N 5.51 0.00 -0.28 2.92 -2.24 -1.26 0.36 114.28 119.29 3bg5 n THR 379 Ca 0.13 -2.25 0.07 0.00 -2.27 0.00 0.00 64.05 59.73 3bg5 n THR 379 Cb 0.45 0.57 0.30 0.00 -2.10 0.00 0.00 70.33 69.55 3bg5 n THR 379 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3bg5 n THR 380 N -1.08 1.68 -2.14 4.28 -2.24 -1.26 -2.10 114.28 111.40 3bg5 n THR 380 Ca -0.15 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.21 3bg5 n THR 380 Cb 0.60 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.96 4.24 -0.38 -0.78 2.02 -1.26 -1.15 118.70 119.43 3bg5 s GLU 381 Ca 0.42 2.04 -0.29 0.00 0.02 0.00 0.00 54.97 57.17 3bg5 s GLU 381 Cb 0.29 -3.71 0.02 0.00 0.10 0.00 0.00 34.13 30.82 3bg5 s GLU 381 CO 0.18 -0.69 1.22 0.34 0.02 0.00 0.00 175.26 176.33 3bg5 s ASP 382 N 2.37 6.66 0.29 -0.19 -1.08 -1.13 -2.86 116.67 120.73 3bg5 s ASP 382 Ca 0.67 0.87 0.25 0.00 -0.52 0.00 0.00 52.55 53.82 3bg5 s ASP 382 Cb -0.32 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.63 3bg5 s ASP 382 CO 0.27 -1.15 1.74 1.55 0.52 0.00 0.00 175.17 178.10 3bg5 h PRO 383 N 9.24 0.00 0.05 4.34 0.13 -1.94 -0.34 132.00 143.49 3bg5 h PRO 383 Ca -0.24 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.57 3bg5 h PRO 383 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 3bg5 h PRO 383 CO 1.07 0.00 -1.78 -0.07 -0.23 0.00 0.00 178.00 176.99 3bg5 h LEU 384 N 0.00 0.15 -7.30 1.56 3.38 -1.94 -3.43 115.31 107.72 3bg5 h LEU 384 Ca 0.00 -0.33 -0.70 0.00 0.09 0.00 0.00 57.88 56.94 3bg5 h LEU 384 Cb 0.37 -0.05 -0.36 0.00 0.09 0.00 0.00 40.66 40.71 3bg5 h LEU 384 CO 0.00 1.30 -0.13 0.21 0.09 0.00 0.00 178.44 179.91 3bg5 s ASN 385 N -6.45 5.91 -0.67 -0.43 2.47 -0.89 -4.89 114.94 109.99 3bg5 s ASN 385 Ca -0.10 -3.72 0.00 0.00 0.42 0.00 0.00 52.86 49.45 3bg5 s ASN 385 Cb 0.07 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 3bg5 s ASN 385 CO 0.81 -0.18 0.00 0.47 -3.72 0.00 0.00 177.10 174.48 3bg5 n ASP 386 N 2.32 -2.28 -4.07 -4.21 10.43 -1.24 -1.59 116.55 115.90 3bg5 n ASP 386 Ca 0.21 0.25 -0.30 0.00 2.57 0.00 0.00 54.79 57.52 3bg5 n ASP 386 Cb 0.37 -2.16 -0.02 0.00 1.84 0.00 0.00 41.12 41.14 3bg5 n ASP 386 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3bg5 n PHE 387 N -2.28 -1.70 -3.21 1.24 3.72 -0.19 -4.94 117.46 110.09 3bg5 n PHE 387 Ca -0.08 0.77 -0.39 0.00 -0.05 0.00 0.00 57.45 57.70 3bg5 n PHE 387 Cb 0.41 -3.41 -0.06 0.00 -0.94 0.00 0.00 39.48 35.48 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 -6.74 4.20 -0.25 -1.08 -1.94 -0.62 -4.61 119.30 108.26 3bg5 s MET 388 Ca 0.33 0.48 -0.33 0.00 -1.71 0.00 0.00 55.69 54.46 3bg5 s MET 388 Cb -0.18 -3.56 -0.09 0.00 2.01 0.00 0.00 34.83 33.01 3bg5 s MET 388 CO 0.91 -0.16 2.14 -2.30 -0.01 0.00 0.00 175.02 175.59 3bg5 n PRO 389 N 4.82 1.58 -2.33 2.03 -0.02 -1.26 -2.84 135.00 136.97 3bg5 n PRO 389 Ca -0.04 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3bg5 n PRO 389 Cb 0.50 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 3bg5 n PRO 389 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bg5 s ASP 390 N 6.99 6.02 0.47 2.55 3.68 -0.30 -4.96 116.67 131.12 3bg5 s ASP 390 Ca 1.03 1.97 0.04 0.00 2.13 0.00 0.00 52.55 57.71 3bg5 s ASP 390 Cb -0.66 -2.56 -0.04 0.00 -1.45 0.00 0.00 42.92 38.21 3bg5 s ASP 390 CO 0.45 -1.01 0.01 0.42 0.13 0.00 0.00 175.17 175.17 3bg5 s THR 391 N -2.05 1.50 0.00 1.71 -4.23 -1.26 -4.85 115.64 106.45 3bg5 s THR 391 Ca 0.68 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3bg5 s THR 391 Cb -0.18 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3bg5 s THR 391 CO 0.26 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 3bg5 n GLY 392 N -1.14 -0.14 3.79 3.99 0.00 -1.13 -4.87 105.19 105.69 3bg5 n GLY 392 Ca -0.13 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.30 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 0.00 5.07 -0.26 2.61 2.01 -1.26 0.52 115.64 124.32 3bg5 s THR 393 Ca 0.00 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 3bg5 s THR 393 Cb 0.00 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 3bg5 s THR 393 CO 0.00 0.59 0.69 -0.63 -0.69 0.00 0.00 174.62 174.58 3bg5 s ILE 394 N -0.77 4.93 -0.74 1.82 1.01 -1.26 -4.33 121.20 121.86 3bg5 s ILE 394 Ca 0.13 1.20 0.21 0.00 0.00 0.00 0.00 60.65 62.19 3bg5 s ILE 394 Cb -0.12 -4.00 -0.25 0.00 0.01 0.00 0.00 42.46 38.10 3bg5 s ILE 394 CO 0.03 -0.04 0.77 2.30 0.00 0.00 0.00 174.94 178.00 3bg5 n ILE 395 N 5.26 0.00 -3.69 2.92 -5.35 -0.86 -4.43 119.36 113.21 3bg5 n ILE 395 Ca 0.01 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 3bg5 n ILE 395 Cb 0.48 0.76 -0.11 0.00 -1.74 0.00 0.00 39.64 39.04 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 -3.06 -0.94 -0.07 -1.28 0.00 -1.25 -4.51 121.76 110.65 3bg5 s ALA 396 Ca 0.04 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 3bg5 s ALA 396 Cb 0.15 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.30 3bg5 s ALA 396 CO 0.85 -0.43 0.00 -0.47 0.00 0.00 0.00 175.76 175.71 3bg5 s TYR 397 N 1.83 0.65 0.26 0.00 6.14 -1.26 -0.97 117.35 124.00 3bg5 s TYR 397 Ca -0.06 -0.15 0.11 0.00 0.64 0.00 0.00 57.07 57.61 3bg5 s TYR 397 Cb -0.10 -0.77 -0.05 0.00 0.42 0.00 0.00 41.96 41.46 3bg5 s TYR 397 CO -0.12 -0.31 -0.20 1.03 0.64 0.00 0.00 175.55 176.60 3bg5 s ARG 398 N 1.89 1.62 0.04 4.97 0.52 0.74 -4.79 118.95 123.94 3bg5 s ARG 398 Ca 0.04 -1.72 -0.07 0.00 -0.52 0.00 0.00 55.73 53.46 3bg5 s ARG 398 Cb -0.12 -1.70 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 3bg5 s ARG 398 CO -0.05 0.32 0.13 -1.54 0.02 0.00 0.00 175.30 174.18 3bg5 s SER 399 N -3.39 0.13 0.00 0.23 1.04 -1.26 -3.33 113.70 107.12 3bg5 s SER 399 Ca 0.28 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3bg5 s SER 399 Cb -0.05 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3bg5 s SER 399 CO 0.13 -0.54 0.00 -1.54 0.98 0.00 0.00 173.24 172.27 3bg5 n SER 400 N 0.68 0.00 0.00 7.02 3.41 -1.26 -4.95 113.62 118.52 3bg5 n SER 400 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3bg5 n SER 400 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3bg5 n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bg5 n GLY 401 N 5.00 0.14 0.00 5.00 0.00 -1.26 -5.03 105.19 109.03 3bg5 n GLY 401 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 0.18 3.65 -0.02 0.00 -1.26 -4.68 105.19 103.06 3bg5 n GLY 402 Ca 0.00 -1.78 -0.51 0.00 0.00 0.00 0.00 46.02 43.74 3bg5 n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bg5 n PHE 403 N 0.33 1.96 -1.12 1.61 -0.00 -1.26 -1.71 117.46 117.28 3bg5 n PHE 403 Ca 0.00 0.41 -0.04 0.00 -0.00 0.00 0.00 57.45 57.82 3bg5 n PHE 403 Cb 0.00 -2.47 -0.02 0.00 -0.00 0.00 0.00 39.48 36.99 3bg5 n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3bg5 n GLY 404 N 3.38 0.69 3.16 7.13 0.00 -1.26 -4.93 105.19 113.37 3bg5 n GLY 404 Ca 0.20 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.10 1.85 -0.12 1.61 1.01 -0.69 -0.50 120.40 121.46 3bg5 s VAL 405 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3bg5 s VAL 405 Cb 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3bg5 s VAL 405 CO 0.00 0.51 -0.15 -0.60 0.00 0.00 0.00 175.10 174.87 3bg5 s ARG 406 N 0.57 2.19 -0.24 2.72 6.06 0.50 -4.56 118.95 126.18 3bg5 s ARG 406 Ca -0.14 -0.54 -0.02 0.00 -2.50 0.00 0.00 55.73 52.52 3bg5 s ARG 406 Cb -0.17 -1.91 0.02 0.00 0.06 0.00 0.00 34.95 32.95 3bg5 s ARG 406 CO 0.05 -0.11 -0.06 -0.51 -2.50 0.00 0.00 175.30 172.17 3bg5 s LEU 407 N 1.13 3.12 -0.57 -0.88 1.43 -1.26 -1.67 118.68 119.98 3bg5 s LEU 407 Ca -0.04 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 3bg5 s LEU 407 Cb -0.14 -1.68 0.15 0.00 0.03 0.00 0.00 46.19 44.54 3bg5 s LEU 407 CO -0.04 -0.11 0.42 -1.81 0.23 0.00 0.00 176.35 175.04 3bg5 s ASP 408 N 1.36 5.59 0.37 2.29 1.01 -0.14 -4.98 116.67 122.17 3bg5 s ASP 408 Ca 0.02 -2.40 -0.26 0.00 0.71 0.00 0.00 52.55 50.61 3bg5 s ASP 408 Cb -0.16 -1.95 -0.09 0.00 1.01 0.00 0.00 42.92 41.73 3bg5 s ASP 408 CO -0.04 -0.53 1.11 0.00 0.21 0.00 0.00 175.17 175.92 3bg5 s ALA 409 N 0.61 3.20 0.00 5.23 0.00 -1.26 -0.66 121.76 128.88 3bg5 s ALA 409 Ca 0.12 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3bg5 s ALA 409 Cb -0.21 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3bg5 s ALA 409 CO -0.03 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3bg5 n GLY 410 N 0.69 1.01 0.07 0.00 0.00 0.63 -3.42 105.19 104.17 3bg5 n GLY 410 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.31 -4.54 1.61 8.00 -0.61 -4.77 116.55 116.54 3bg5 n ASP 411 Ca 0.00 -0.34 -0.41 0.00 0.71 0.00 0.00 54.79 54.75 3bg5 n ASP 411 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.59 1.04 0.08 0.44 0.00 -0.87 -4.94 107.32 100.48 3bg5 s GLY 412 Ca 0.26 -1.62 -0.26 0.00 0.00 0.00 0.00 44.72 43.10 3bg5 s GLY 412 CO 0.49 2.56 0.64 -0.11 0.00 0.00 0.00 173.10 176.68 3bg5 s PHE 413 N 5.30 -0.58 0.54 1.90 -0.12 -1.26 -4.92 117.98 118.84 3bg5 s PHE 413 Ca 0.35 0.61 0.39 0.00 -0.05 0.00 0.00 56.93 58.23 3bg5 s PHE 413 Cb -0.08 0.51 2.12 0.00 -0.63 0.00 0.00 43.02 44.94 3bg5 s PHE 413 CO 0.10 -0.76 2.19 1.96 -0.05 0.00 0.00 175.22 178.66 3bg5 h GLN 414 N 2.35 0.00 0.00 1.99 4.20 -1.86 -3.39 115.11 118.40 3bg5 h GLN 414 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3bg5 h GLN 414 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3bg5 h GLN 414 CO 0.38 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.95 3bg5 n GLY 415 N -1.13 1.27 3.57 3.46 0.00 -1.26 -4.52 105.19 106.58 3bg5 n GLY 415 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3bg5 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 s ALA 416 N -3.68 0.37 0.66 4.61 0.00 -1.26 -4.35 121.76 118.10 3bg5 s ALA 416 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 3bg5 s ALA 416 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.85 3bg5 s ALA 416 CO 0.00 -3.35 0.97 -1.83 0.00 0.00 0.00 175.76 171.55 3bg5 s GLU 417 N -4.57 2.43 -0.26 0.00 1.03 -1.26 -4.03 118.70 112.04 3bg5 s GLU 417 Ca 0.67 -0.20 -0.07 0.00 0.03 0.00 0.00 54.97 55.41 3bg5 s GLU 417 Cb -0.24 -2.21 -0.01 0.00 -0.80 0.00 0.00 34.13 30.87 3bg5 s GLU 417 CO 0.62 -1.05 0.05 0.42 -1.33 0.00 0.00 175.26 173.97 3bg5 s ILE 418 N -3.15 4.02 0.11 1.83 1.01 0.18 -4.95 121.20 120.26 3bg5 s ILE 418 Ca 0.58 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 3bg5 s ILE 418 Cb -0.11 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.35 3bg5 s ILE 418 CO 0.45 0.27 0.66 -0.94 0.00 0.00 0.00 174.94 175.37 3bg5 s SER 419 N 1.55 7.20 0.00 3.58 1.04 -1.26 -2.82 113.70 122.99 3bg5 s SER 419 Ca 0.05 1.43 0.09 0.00 0.48 0.00 0.00 55.95 58.00 3bg5 s SER 419 Cb -0.16 -2.42 0.54 0.00 0.10 0.00 0.00 66.02 64.08 3bg5 s SER 419 CO 0.02 0.25 1.11 -0.81 0.98 0.00 0.00 173.24 174.79 3bg5 n PRO 420 N 1.65 0.71 0.12 4.02 -0.04 -1.26 -4.14 135.00 136.07 3bg5 n PRO 420 Ca -0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 3bg5 n PRO 420 Cb 0.50 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.78 3bg5 n PRO 420 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3bg5 h TYR 421 N 0.00 0.00 -1.64 0.54 0.05 -2.00 -3.46 116.97 110.46 3bg5 h TYR 421 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 3bg5 h TYR 421 Cb 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 3bg5 h TYR 421 CO 0.00 0.46 -0.49 0.71 -1.05 0.00 0.00 178.16 177.79 3bg5 s TYR 422 N -2.99 2.64 0.31 4.88 1.51 -1.26 -4.58 117.35 117.87 3bg5 s TYR 422 Ca 0.03 -0.53 -0.29 0.00 -1.01 0.00 0.00 57.07 55.26 3bg5 s TYR 422 Cb 0.08 -1.93 -0.12 0.00 -0.11 0.00 0.00 41.96 39.88 3bg5 s TYR 422 CO 0.75 0.17 1.42 -0.25 -1.11 0.00 0.00 175.55 176.54 3bg5 n ASP 423 N -1.26 3.21 -4.72 2.29 8.00 -1.26 -4.93 116.55 117.87 3bg5 n ASP 423 Ca -0.01 1.18 -0.42 0.00 0.71 0.00 0.00 54.79 56.26 3bg5 n ASP 423 Cb 0.64 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 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 0.05 7.01 -0.30 -2.24 0.15 -1.26 -4.99 113.70 112.12 3bg5 s SER 424 Ca 0.60 2.13 -0.07 0.00 0.70 0.00 0.00 55.95 59.32 3bg5 s SER 424 Cb -0.55 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.35 3bg5 s SER 424 CO 0.57 -0.50 0.80 -0.22 1.20 0.00 0.00 173.24 175.09 3bg5 s LEU 425 N 0.83 -0.97 -0.16 3.45 2.96 -1.26 -4.80 118.68 118.74 3bg5 s LEU 425 Ca 0.59 0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 55.00 3bg5 s LEU 425 Cb -0.32 1.82 -0.09 0.00 0.50 0.00 0.00 46.19 48.11 3bg5 s LEU 425 CO 0.31 -0.18 -0.00 -0.07 -1.32 0.00 0.00 176.35 175.08 3bg5 h LEU 426 N 7.99 0.00 -7.52 -0.68 3.38 -0.42 -1.63 115.31 116.42 3bg5 h LEU 426 Ca -0.19 -0.20 -0.26 0.00 0.09 0.00 0.00 57.88 57.32 3bg5 h LEU 426 Cb 1.16 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.59 3bg5 h LEU 426 CO 0.10 0.98 -0.67 -0.69 0.09 0.00 0.00 178.44 178.25 3bg5 s VAL 427 N -2.22 -0.04 -0.19 1.22 1.01 -1.06 -0.26 120.40 118.85 3bg5 s VAL 427 Ca -0.18 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 3bg5 s VAL 427 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 3bg5 s VAL 427 CO 0.34 0.07 0.90 -0.75 0.00 0.00 0.00 175.10 175.65 3bg5 s LYS 428 N 0.91 4.28 -0.20 2.72 2.20 0.16 -0.26 119.74 129.56 3bg5 s LYS 428 Ca -0.07 1.12 0.01 0.00 -0.36 0.00 0.00 55.97 56.66 3bg5 s LYS 428 Cb -0.10 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3bg5 s LYS 428 CO -0.03 -0.43 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.19 3bg5 s LEU 429 N 2.48 2.39 -0.03 5.43 2.96 -0.19 -0.97 118.68 130.75 3bg5 s LEU 429 Ca 0.40 -0.74 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3bg5 s LEU 429 Cb -0.16 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3bg5 s LEU 429 CO 0.11 -0.03 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.48 3bg5 s SER 430 N 1.28 2.22 0.15 3.68 0.01 -0.67 -1.24 113.70 119.13 3bg5 s SER 430 Ca 0.03 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.99 3bg5 s SER 430 Cb -0.14 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 3bg5 s SER 430 CO -0.11 0.20 -0.12 0.42 0.41 0.00 0.00 173.24 174.04 3bg5 s THR 431 N -0.22 1.32 -0.18 1.44 -4.23 0.40 -0.37 115.64 113.79 3bg5 s THR 431 Ca 0.02 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 3bg5 s THR 431 Cb -0.09 -1.81 0.08 0.00 1.34 0.00 0.00 72.50 72.02 3bg5 s THR 431 CO 0.01 -0.64 0.40 -2.28 -0.54 0.00 0.00 174.62 171.56 3bg5 s HIS 432 N -2.98 -0.72 0.26 3.99 5.04 0.35 -1.00 115.29 120.23 3bg5 s HIS 432 Ca 0.16 1.42 -0.08 0.00 -1.54 0.00 0.00 55.06 55.02 3bg5 s HIS 432 Cb 0.00 0.25 -0.01 0.00 0.04 0.00 0.00 32.58 32.86 3bg5 s HIS 432 CO 0.02 -0.44 0.40 0.00 -2.34 0.00 0.00 174.74 172.38 3bg5 s ALA 433 N 2.40 0.30 0.07 1.58 0.00 -1.04 -4.57 121.76 120.50 3bg5 s ALA 433 Ca -0.03 -1.20 -0.34 0.00 0.00 0.00 0.00 51.96 50.39 3bg5 s ALA 433 Cb -0.11 1.16 -0.19 0.00 0.00 0.00 0.00 23.12 23.98 3bg5 s ALA 433 CO -0.12 -0.78 1.60 0.82 0.00 0.00 0.00 175.76 177.27 3bg5 h ILE 434 N 2.31 0.26 -3.02 0.00 2.04 -1.92 -1.73 117.51 115.45 3bg5 h ILE 434 Ca -0.29 -0.02 -0.47 0.00 1.00 0.00 0.00 64.86 65.08 3bg5 h ILE 434 Cb 1.25 0.27 0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3bg5 h ILE 434 CO 0.40 0.00 -0.05 -0.94 0.00 0.00 0.00 178.15 177.57 3bg5 s SER 435 N -4.32 5.98 0.07 1.72 1.04 -1.26 -3.80 113.70 113.13 3bg5 s SER 435 Ca -0.18 0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 3bg5 s SER 435 Cb 0.03 -1.79 -0.13 0.00 0.10 0.00 0.00 66.02 64.23 3bg5 s SER 435 CO 0.61 -0.63 1.35 0.15 0.98 0.00 0.00 173.24 175.70 3bg5 h PHE 436 N 0.37 0.67 -0.70 5.02 3.57 -1.90 -2.46 116.94 121.52 3bg5 h PHE 436 Ca -0.47 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 60.84 3bg5 h PHE 436 Cb 1.24 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 3bg5 h PHE 436 CO 0.49 0.94 0.43 -0.22 -2.23 0.00 0.00 178.31 177.72 3bg5 h LYS 437 N 0.22 0.81 -0.63 1.11 3.11 -1.95 -0.36 116.57 118.88 3bg5 h LYS 437 Ca 0.02 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 57.83 3bg5 h LYS 437 Cb 0.86 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.87 3bg5 h LYS 437 CO 0.07 0.54 0.41 1.96 -2.81 0.00 0.00 179.45 179.61 3bg5 h GLN 438 N 0.83 0.80 -0.43 1.90 4.20 -1.95 -1.08 115.11 119.38 3bg5 h GLN 438 Ca 0.29 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3bg5 h GLN 438 Cb 0.05 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3bg5 h GLN 438 CO -0.12 0.53 0.27 0.00 -0.67 0.00 0.00 178.83 178.83 3bg5 h ALA 439 N 1.25 1.66 -0.04 3.87 0.00 -0.84 -1.86 119.26 123.29 3bg5 h ALA 439 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3bg5 h ALA 439 Cb -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3bg5 h ALA 439 CO -0.07 0.30 -0.04 1.49 0.00 0.00 0.00 179.25 180.94 3bg5 h GLU 440 N 0.59 0.09 0.00 0.00 4.22 -0.32 -1.80 114.58 117.36 3bg5 h GLU 440 Ca 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 3bg5 h GLU 440 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3bg5 h GLU 440 CO -0.03 0.56 -0.10 0.93 -2.18 0.00 0.00 179.01 178.19 3bg5 h GLU 441 N -0.37 0.00 -0.03 1.92 5.08 -1.01 0.29 114.58 120.45 3bg5 h GLU 441 Ca 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3bg5 h GLU 441 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3bg5 h GLU 441 CO 0.01 0.10 -0.66 -0.22 -1.00 0.00 0.00 179.01 177.25 3bg5 h LYS 442 N 0.00 0.50 -0.17 2.33 3.64 -1.33 -2.87 116.57 118.66 3bg5 h LYS 442 Ca -0.00 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3bg5 h LYS 442 Cb 0.30 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3bg5 h LYS 442 CO 0.01 1.13 0.08 1.98 -2.27 0.00 0.00 179.45 180.39 3bg5 h MET 443 N 0.05 0.25 -0.21 1.90 4.05 -0.30 -2.67 114.93 117.99 3bg5 h MET 443 Ca -0.07 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3bg5 h MET 443 Cb 1.34 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.05 3bg5 h MET 443 CO 0.13 0.28 -0.08 0.28 0.23 0.00 0.00 176.91 177.76 3bg5 h VAL 444 N 0.15 0.73 -0.55 -5.77 2.07 -0.57 -1.74 116.25 110.57 3bg5 h VAL 444 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3bg5 h VAL 444 Cb 0.12 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3bg5 h VAL 444 CO -0.01 0.00 0.27 -0.09 0.02 0.00 0.00 177.57 177.77 3bg5 h ARG 445 N -0.04 0.50 -0.78 1.57 2.43 -1.48 -0.92 114.38 115.66 3bg5 h ARG 445 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3bg5 h ARG 445 Cb 0.21 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3bg5 h ARG 445 CO -0.24 0.33 0.36 0.77 -1.51 0.00 0.00 179.97 179.68 3bg5 h SER 446 N 0.52 1.04 -0.52 -3.80 0.02 -1.15 0.54 113.55 110.21 3bg5 h SER 446 Ca 0.25 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3bg5 h SER 446 Cb 0.18 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3bg5 h SER 446 CO -0.18 0.89 0.30 -0.07 -1.14 0.00 0.00 176.83 176.63 3bg5 h LEU 447 N 1.11 0.63 -0.76 5.07 3.38 -0.66 -1.02 115.31 123.05 3bg5 h LEU 447 Ca 0.27 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3bg5 h LEU 447 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bg5 h LEU 447 CO -0.03 0.51 -0.33 0.03 0.09 0.00 0.00 178.44 178.71 3bg5 h ARG 448 N 0.69 0.56 -0.01 1.13 3.08 -0.70 -2.95 114.38 116.18 3bg5 h ARG 448 Ca 0.18 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 3bg5 h ARG 448 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3bg5 h ARG 448 CO -0.03 0.82 -0.36 1.49 -1.07 0.00 0.00 179.97 180.82 3bg5 h GLU 449 N 0.48 0.02 -6.70 0.04 4.81 0.35 -3.44 114.58 110.13 3bg5 h GLU 449 Ca 0.05 -0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.71 3bg5 h GLU 449 Cb 0.81 -0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.28 3bg5 h GLU 449 CO 0.07 0.37 0.65 -1.33 -0.73 0.00 0.00 179.01 178.04 3bg5 n MET 450 N -4.11 2.25 -3.89 1.92 2.81 -0.41 -4.74 117.12 110.95 3bg5 n MET 450 Ca -0.02 0.80 -0.24 0.00 -1.81 0.00 0.00 57.70 56.43 3bg5 n MET 450 Cb 0.40 -2.46 -0.17 0.00 -0.71 0.00 0.00 33.22 30.27 3bg5 n MET 450 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3bg5 s ARG 451 N -0.96 1.02 -0.09 0.03 0.52 -1.21 -4.99 118.95 113.26 3bg5 s ARG 451 Ca 0.63 -0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.74 3bg5 s ARG 451 Cb -0.58 -1.21 0.04 0.00 0.52 0.00 0.00 34.95 33.72 3bg5 s ARG 451 CO 0.54 -0.25 0.04 0.42 0.02 0.00 0.00 175.30 176.07 3bg5 s ILE 452 N 1.71 0.13 0.13 1.52 1.01 -1.26 -0.18 121.20 124.27 3bg5 s ILE 452 Ca 0.03 0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.86 3bg5 s ILE 452 Cb -0.13 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 3bg5 s ILE 452 CO -0.05 0.08 -0.10 -0.13 0.00 0.00 0.00 174.94 174.73 3bg5 s ARG 453 N 2.06 2.09 0.00 2.79 1.81 -0.15 -4.70 118.95 122.86 3bg5 s ARG 453 Ca 0.04 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 3bg5 s ARG 453 Cb -0.13 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 3bg5 s ARG 453 CO -0.05 0.48 0.00 0.41 -0.68 0.00 0.00 175.30 175.46 3bg5 n GLY 454 N 0.50 2.63 2.99 -3.53 0.00 -1.26 -2.04 105.19 104.48 3bg5 n GLY 454 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.69 0.09 0.42 1.61 -7.23 -1.26 -4.48 120.40 106.85 3bg5 s VAL 455 Ca 0.00 -0.72 -0.25 0.00 -1.81 0.00 0.00 61.98 59.21 3bg5 s VAL 455 Cb 0.00 -0.25 -0.08 0.00 0.56 0.00 0.00 36.38 36.61 3bg5 s VAL 455 CO 0.00 -0.39 1.19 -0.54 -0.31 0.00 0.00 175.10 175.05 3bg5 s LYS 456 N -1.19 3.96 0.33 4.82 3.01 -1.26 -5.01 119.74 124.40 3bg5 s LYS 456 Ca -0.13 1.88 0.05 0.00 -1.01 0.00 0.00 55.97 56.76 3bg5 s LYS 456 Cb -0.08 -2.63 -0.07 0.00 -1.01 0.00 0.00 37.83 34.05 3bg5 s LYS 456 CO -0.00 -0.41 0.01 0.95 0.51 0.00 0.00 175.35 176.41 3bg5 s THR 457 N -1.42 1.51 -2.18 2.17 -4.23 -1.26 -4.37 115.64 105.86 3bg5 s THR 457 Ca 0.59 -2.04 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 3bg5 s THR 457 Cb -0.31 -2.74 0.41 0.00 1.34 0.00 0.00 72.50 71.20 3bg5 s THR 457 CO 0.39 -0.09 1.43 -0.46 -0.54 0.00 0.00 174.62 175.35 3bg5 n ASN 458 N -0.72 2.06 -0.13 3.99 6.94 -0.89 -4.42 115.26 122.09 3bg5 n ASN 458 Ca -0.04 -1.86 -0.05 0.00 -0.02 0.00 0.00 54.58 52.61 3bg5 n ASN 458 Cb 0.66 -0.19 0.02 0.00 -2.36 0.00 0.00 39.78 37.90 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 2.51 0.45 -0.87 1.53 2.04 -1.88 -1.59 117.51 119.68 3bg5 h ILE 459 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3bg5 h ILE 459 Cb 0.56 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3bg5 h ILE 459 CO 0.00 0.00 0.51 -0.65 0.00 0.00 0.00 178.15 178.01 3bg5 h PRO 460 N -0.09 1.20 -0.48 2.37 0.11 -1.96 0.30 132.00 133.45 3bg5 h PRO 460 Ca 0.21 -0.12 0.05 0.00 0.11 0.00 0.00 66.00 66.24 3bg5 h PRO 460 Cb 0.41 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3bg5 h PRO 460 CO -0.48 0.86 0.23 0.35 -0.21 0.00 0.00 178.00 178.75 3bg5 h PHE 461 N 1.21 0.42 -0.77 0.65 3.57 -1.73 -0.84 116.94 119.44 3bg5 h PHE 461 Ca 0.31 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3bg5 h PHE 461 Cb -0.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3bg5 h PHE 461 CO 0.00 0.20 0.28 -0.07 -2.23 0.00 0.00 178.31 176.50 3bg5 h LEU 462 N 0.46 1.09 -0.14 0.59 3.38 -0.24 -1.55 115.31 118.90 3bg5 h LEU 462 Ca 0.21 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3bg5 h LEU 462 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3bg5 h LEU 462 CO -0.16 0.98 0.02 0.40 0.09 0.00 0.00 178.44 179.77 3bg5 h ILE 463 N 1.14 0.94 -0.40 1.22 2.04 -0.03 -2.11 117.51 120.30 3bg5 h ILE 463 Ca 0.25 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 66.05 3bg5 h ILE 463 Cb 0.25 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3bg5 h ILE 463 CO -0.02 0.01 0.08 0.78 0.00 0.00 0.00 178.15 179.01 3bg5 h ASN 464 N 0.08 0.55 0.10 1.72 2.35 -0.93 0.11 115.58 119.55 3bg5 h ASN 464 Ca 0.06 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3bg5 h ASN 464 Cb 0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3bg5 h ASN 464 CO -0.09 0.57 -0.05 0.58 -1.65 0.00 0.00 177.43 176.79 3bg5 h VAL 465 N 0.58 0.97 0.00 2.81 2.07 -1.07 -1.04 116.25 120.57 3bg5 h VAL 465 Ca 0.13 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3bg5 h VAL 465 Cb 0.25 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3bg5 h VAL 465 CO -0.00 0.07 0.00 0.24 0.02 0.00 0.00 177.57 177.89 3bg5 h MET 466 N -0.25 0.00 0.15 1.57 2.86 -0.98 -3.11 114.93 115.16 3bg5 h MET 466 Ca -0.01 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.36 3bg5 h MET 466 Cb 0.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 3bg5 h MET 466 CO 0.02 0.00 -1.28 -0.22 1.06 0.00 0.00 176.91 176.49 3bg5 h LYS 467 N 0.00 0.31 -6.77 1.72 3.11 -0.57 -3.45 116.57 110.92 3bg5 h LYS 467 Ca 0.00 -0.53 -0.55 0.00 -2.81 0.00 0.00 60.65 56.76 3bg5 h LYS 467 Cb 0.51 0.20 0.09 0.00 -1.00 0.00 0.00 32.23 32.03 3bg5 h LYS 467 CO 0.00 1.25 0.73 -1.71 -2.81 0.00 0.00 179.45 176.92 3bg5 n ASN 468 N -3.93 3.42 0.21 4.20 4.05 -0.42 -4.85 115.26 117.95 3bg5 n ASN 468 Ca -0.21 1.17 0.08 0.00 0.45 0.00 0.00 54.58 56.08 3bg5 n ASN 468 Cb 0.92 -1.55 0.43 0.00 1.23 0.00 0.00 39.78 40.82 3bg5 n ASN 468 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 3bg5 h LYS 469 N 3.86 0.00 -0.05 1.20 3.64 -1.91 -2.16 116.57 121.15 3bg5 h LYS 469 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3bg5 h LYS 469 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3bg5 h LYS 469 CO 0.72 0.29 0.00 1.63 -2.27 0.00 0.00 179.45 179.82 3bg5 n LYS 470 N -3.53 0.80 -0.03 1.90 5.02 -1.26 -0.70 118.16 120.36 3bg5 n LYS 470 Ca -0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3bg5 n LYS 470 Cb 0.44 -1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 3bg5 n LYS 470 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bg5 n PHE 471 N -0.46 0.00 0.10 2.13 -0.00 -0.84 -4.57 117.46 113.81 3bg5 n PHE 471 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.52 3bg5 n PHE 471 Cb 0.01 -0.19 0.53 0.00 -0.00 0.00 0.00 39.48 39.83 3bg5 n PHE 471 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3bg5 h THR 472 N -0.01 1.02 0.00 -2.13 2.02 -1.08 -0.33 112.91 112.40 3bg5 h THR 472 Ca -0.11 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3bg5 h THR 472 Cb 1.17 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3bg5 h THR 472 CO -0.02 0.05 -0.09 0.77 0.37 0.00 0.00 175.52 176.60 3bg5 h SER 473 N 0.29 0.00 0.00 4.18 4.64 -1.19 -3.47 113.55 118.00 3bg5 h SER 473 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3bg5 h SER 473 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3bg5 h SER 473 CO -0.02 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3bg5 n GLY 474 N -0.54 2.33 3.29 -0.77 0.00 -0.13 -4.90 105.19 104.46 3bg5 n GLY 474 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 3bg5 n GLY 474 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bg5 s ASP 475 N -3.57 6.24 0.12 1.61 3.68 -1.26 -4.59 116.67 118.90 3bg5 s ASP 475 Ca 0.00 -2.10 -0.05 0.00 2.13 0.00 0.00 52.55 52.53 3bg5 s ASP 475 Cb 0.00 -2.17 -0.02 0.00 -1.45 0.00 0.00 42.92 39.28 3bg5 s ASP 475 CO 0.00 -0.74 0.13 -0.72 0.13 0.00 0.00 175.17 173.97 3bg5 s TYR 476 N 1.10 0.55 0.29 -5.34 1.13 -1.26 -4.88 117.35 108.93 3bg5 s TYR 476 Ca 0.08 -0.96 0.04 0.00 -1.41 0.00 0.00 57.07 54.82 3bg5 s TYR 476 Cb -0.24 -0.27 -0.06 0.00 -1.10 0.00 0.00 41.96 40.29 3bg5 s TYR 476 CO -0.01 -0.55 0.02 -0.08 -2.51 0.00 0.00 175.55 172.42 3bg5 s THR 477 N -3.97 1.19 0.63 -3.49 -1.32 -1.26 -4.81 115.64 102.61 3bg5 s THR 477 Ca 0.16 -2.03 0.35 0.00 -1.21 0.00 0.00 61.69 58.96 3bg5 s THR 477 Cb 0.06 -2.61 0.38 0.00 -1.51 0.00 0.00 72.50 68.82 3bg5 s THR 477 CO -0.03 -0.14 2.20 0.71 -2.21 0.00 0.00 174.62 175.15 3bg5 h THR 478 N 2.25 0.24 0.00 5.08 1.35 -1.52 0.11 112.91 120.42 3bg5 h THR 478 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3bg5 h THR 478 Cb 1.24 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3bg5 h THR 478 CO 0.67 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.23 3bg5 n LYS 479 N -3.40 0.17 -0.12 4.72 4.76 -1.26 -4.28 118.16 118.74 3bg5 n LYS 479 Ca -0.01 0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.46 3bg5 n LYS 479 Cb 0.20 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.90 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 -0.16 2.13 3.57 -1.12 0.20 116.94 121.34 3bg5 h PHE 480 Ca 0.00 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3bg5 h PHE 480 Cb 0.31 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3bg5 h PHE 480 CO 0.00 -0.18 -0.22 0.82 -2.23 0.00 0.00 178.31 176.50 3bg5 h ILE 481 N -0.00 1.35 -0.99 1.41 2.04 -1.81 -3.08 117.51 116.42 3bg5 h ILE 481 Ca 0.19 -1.42 0.19 0.00 1.00 0.00 0.00 64.86 64.82 3bg5 h ILE 481 Cb 0.30 1.89 -0.10 0.00 -0.74 0.00 0.00 36.82 38.17 3bg5 h ILE 481 CO -0.42 0.43 0.61 -0.08 0.00 0.00 0.00 178.15 178.69 3bg5 h GLU 482 N 0.07 0.71 -0.20 2.37 4.81 -1.67 -1.70 114.58 118.98 3bg5 h GLU 482 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3bg5 h GLU 482 Cb 0.78 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3bg5 h GLU 482 CO 0.05 0.47 0.00 0.39 -0.73 0.00 0.00 179.01 179.19 3bg5 n GLU 483 N -4.72 1.66 -3.99 1.92 1.02 0.66 -4.78 120.64 112.41 3bg5 n GLU 483 Ca 0.23 -1.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.05 3bg5 n GLU 483 Cb 0.58 -1.34 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 3bg5 n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3bg5 s THR 484 N -1.74 2.18 0.19 2.62 2.01 -0.64 -4.96 115.64 115.31 3bg5 s THR 484 Ca 0.28 -2.35 0.01 0.00 0.31 0.00 0.00 61.69 59.95 3bg5 s THR 484 Cb 0.15 -2.61 -0.10 0.00 0.01 0.00 0.00 72.50 69.94 3bg5 s THR 484 CO 0.22 -0.62 1.45 1.55 -0.69 0.00 0.00 174.62 176.52 3bg5 h PRO 485 N 7.56 0.30 0.00 4.92 0.13 -1.86 -3.30 132.00 139.75 3bg5 h PRO 485 Ca -0.05 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3bg5 h PRO 485 Cb 1.01 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3bg5 h PRO 485 CO 0.53 0.91 0.00 -0.85 -0.23 0.00 0.00 178.00 178.36 3bg5 n GLU 486 N -3.80 0.39 0.18 0.86 0.00 -1.26 -2.19 120.64 114.83 3bg5 n GLU 486 Ca -0.04 0.07 0.14 0.00 0.00 0.00 0.00 57.16 57.33 3bg5 n GLU 486 Cb 0.71 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 31.13 3bg5 n GLU 486 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3bg5 h LEU 487 N 0.00 0.00 -4.78 -1.84 4.07 -1.94 -3.33 115.31 107.49 3bg5 h LEU 487 Ca 0.00 0.00 -0.71 0.00 0.08 0.00 0.00 57.88 57.25 3bg5 h LEU 487 Cb 0.10 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 41.53 3bg5 h LEU 487 CO 0.00 0.00 0.57 0.49 -1.08 0.00 0.00 178.44 178.42 3bg5 n PHE 488 N -2.64 3.10 -2.64 1.13 3.01 -0.93 -4.73 117.46 113.75 3bg5 n PHE 488 Ca 0.03 -2.56 -0.42 0.00 1.01 0.00 0.00 57.45 55.50 3bg5 n PHE 488 Cb 0.35 -0.92 -0.03 0.00 -0.01 0.00 0.00 39.48 38.87 3bg5 n PHE 488 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3bg5 s ASP 489 N -1.79 7.29 -0.96 4.37 1.01 -1.25 -4.97 116.67 120.36 3bg5 s ASP 489 Ca 0.52 1.72 -0.24 0.00 0.71 0.00 0.00 52.55 55.26 3bg5 s ASP 489 Cb 0.43 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 3bg5 s ASP 489 CO -0.32 -0.33 1.79 -0.63 0.21 0.00 0.00 175.17 175.89 3bg5 s ILE 490 N 1.16 3.61 -0.67 0.77 1.01 -1.26 -4.89 121.20 120.92 3bg5 s ILE 490 Ca 0.53 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 3bg5 s ILE 490 Cb -0.23 -4.38 0.17 0.00 0.01 0.00 0.00 42.46 38.04 3bg5 s ILE 490 CO 0.27 -1.27 0.50 0.00 0.00 0.00 0.00 174.94 174.44 3bg5 s GLN 491 N 6.31 2.70 0.29 2.79 -2.07 -1.26 -4.99 119.66 123.42 3bg5 s GLN 491 Ca 0.62 -2.66 0.01 0.00 -1.82 0.00 0.00 55.36 51.52 3bg5 s GLN 491 Cb -0.04 -3.78 0.55 0.00 -1.09 0.00 0.00 33.01 28.65 3bg5 s GLN 491 CO -0.02 -1.19 1.85 -1.35 -1.32 0.00 0.00 175.29 173.25 3bg5 h PRO 492 N 6.87 0.98 -4.81 9.60 0.11 -2.05 -3.48 132.00 139.21 3bg5 h PRO 492 Ca 0.02 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.07 3bg5 h PRO 492 Cb 0.93 -0.22 -0.11 0.00 0.11 0.00 0.00 31.00 31.71 3bg5 h PRO 492 CO 0.73 0.65 -1.39 -1.13 -0.21 0.00 0.00 178.00 176.65 3bg5 n SER 493 N -4.58 -1.37 -4.80 -2.05 3.41 -1.26 -5.03 113.62 97.94 3bg5 n SER 493 Ca 0.18 1.23 -0.32 0.00 -0.26 0.00 0.00 58.87 59.71 3bg5 n SER 493 Cb 0.32 -4.88 0.05 0.00 -0.26 0.00 0.00 64.21 59.44 3bg5 n SER 493 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bg5 s LEU 494 N -0.73 3.20 -0.70 1.04 1.43 -1.26 -5.02 118.68 116.63 3bg5 s LEU 494 Ca -0.23 1.75 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 3bg5 s LEU 494 Cb 0.02 -4.52 0.21 0.00 0.03 0.00 0.00 46.19 41.93 3bg5 s LEU 494 CO 0.72 -1.58 0.63 -0.67 0.23 0.00 0.00 176.35 175.68 3bg5 n ASP 495 N -2.96 3.46 -0.03 2.29 2.03 -1.26 -4.95 116.55 115.12 3bg5 n ASP 495 Ca 0.08 -3.30 -0.14 0.00 0.52 0.00 0.00 54.79 51.95 3bg5 n ASP 495 Cb 0.53 -0.76 -0.10 0.00 -0.72 0.00 0.00 41.12 40.07 3bg5 n ASP 495 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3bg5 h ARG 496 N 4.97 0.11 -0.99 -0.67 3.08 -1.98 -3.21 114.38 115.69 3bg5 h ARG 496 Ca 0.17 -0.09 0.20 0.00 0.07 0.00 0.00 59.98 60.32 3bg5 h ARG 496 Cb 0.72 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.69 3bg5 h ARG 496 CO 0.79 0.75 0.61 0.78 -1.07 0.00 0.00 179.97 181.83 3bg5 h GLY 497 N -0.50 1.64 1.05 0.04 0.00 -1.98 -1.14 103.07 102.19 3bg5 h GLY 497 Ca -0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 3bg5 h GLY 497 CO 0.02 -0.06 -0.22 -0.84 0.00 0.00 0.00 176.54 175.44 3bg5 h THR 498 N 0.70 1.28 -0.21 4.70 2.02 -2.00 -2.03 112.91 117.37 3bg5 h THR 498 Ca 0.57 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 3bg5 h THR 498 Cb 0.97 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3bg5 h THR 498 CO -0.35 0.46 -0.08 0.11 0.37 0.00 0.00 175.52 176.03 3bg5 h LYS 499 N 0.69 0.33 -0.28 6.66 1.57 -1.24 -0.21 116.57 124.08 3bg5 h LYS 499 Ca 0.09 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3bg5 h LYS 499 Cb 0.79 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3bg5 h LYS 499 CO 0.06 0.42 -0.17 1.15 -0.57 0.00 0.00 179.45 180.34 3bg5 h THR 500 N 0.32 1.30 -0.19 -0.16 2.02 -1.23 -1.29 112.91 113.68 3bg5 h THR 500 Ca 0.07 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 65.90 3bg5 h THR 500 Cb 0.34 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3bg5 h THR 500 CO 0.02 0.41 -0.13 -0.07 0.37 0.00 0.00 175.52 176.11 3bg5 h LEU 501 N 0.35 0.29 -0.28 2.58 3.38 -0.82 -1.40 115.31 119.41 3bg5 h LEU 501 Ca 0.06 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3bg5 h LEU 501 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3bg5 h LEU 501 CO 0.05 0.45 -0.63 -0.33 0.09 0.00 0.00 178.44 178.07 3bg5 h GLU 502 N 0.28 0.80 0.29 1.13 5.08 -0.92 -0.51 114.58 120.74 3bg5 h GLU 502 Ca 0.06 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3bg5 h GLU 502 Cb 0.42 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3bg5 h GLU 502 CO 0.02 1.18 -0.14 -0.92 -1.00 0.00 0.00 179.01 178.16 3bg5 h TYR 503 N 0.59 -0.36 -0.71 4.33 5.03 -0.86 -0.42 116.97 124.57 3bg5 h TYR 503 Ca -0.01 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.30 3bg5 h TYR 503 Cb 1.24 0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.61 3bg5 h TYR 503 CO 0.07 -0.14 0.47 0.82 -1.32 0.00 0.00 178.16 178.06 3bg5 h ILE 504 N -0.51 1.18 -0.58 1.81 2.04 -1.30 -0.73 117.51 119.42 3bg5 h ILE 504 Ca -0.04 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3bg5 h ILE 504 Cb 0.38 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3bg5 h ILE 504 CO 0.07 0.18 -0.00 1.23 0.00 0.00 0.00 178.15 179.62 3bg5 h GLY 505 N 0.96 1.12 1.29 5.37 0.00 -0.93 -1.36 103.07 109.52 3bg5 h GLY 505 Ca 0.26 -0.82 -0.25 0.00 0.00 0.00 0.00 47.33 46.52 3bg5 h GLY 505 CO -0.06 0.76 -0.95 -0.57 0.00 0.00 0.00 176.54 175.72 3bg5 h ASN 506 N 0.92 0.82 -0.22 0.19 -0.00 -0.38 -2.69 115.58 114.23 3bg5 h ASN 506 Ca 0.16 -0.63 -0.18 0.00 -0.00 0.00 0.00 56.30 55.66 3bg5 h ASN 506 Cb 0.56 -0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 3bg5 h ASN 506 CO 0.03 1.42 -0.54 0.58 -0.00 0.00 0.00 177.43 178.93 3bg5 h VAL 507 N 0.39 1.28 -0.85 2.57 2.07 -1.20 0.15 116.25 120.66 3bg5 h VAL 507 Ca -0.10 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 65.75 3bg5 h VAL 507 Cb 1.59 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 3bg5 h VAL 507 CO 0.18 0.56 0.52 0.74 0.02 0.00 0.00 177.57 179.60 3bg5 h THR 508 N 0.63 1.03 0.08 2.57 2.02 -1.24 -1.69 112.91 116.31 3bg5 h THR 508 Ca 0.02 -0.32 -0.36 0.00 0.77 0.00 0.00 66.41 66.51 3bg5 h THR 508 Cb 1.13 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3bg5 h THR 508 CO 0.12 0.17 -2.09 -0.38 0.37 0.00 0.00 175.52 173.71 3bg5 n ILE 509 N -4.64 1.69 0.33 3.11 5.41 -1.02 -4.60 119.36 119.65 3bg5 n ILE 509 Ca 0.12 -0.66 0.07 0.00 1.00 0.00 0.00 62.75 63.28 3bg5 n ILE 509 Cb 0.18 -1.55 0.10 0.00 -0.71 0.00 0.00 39.64 37.66 3bg5 n ILE 509 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3bg5 n ASN 510 N -3.36 2.43 0.00 4.38 3.02 0.52 -4.86 115.26 117.39 3bg5 n ASN 510 Ca -0.33 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 3bg5 n ASN 510 Cb 1.04 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 0.75 -2.09 2.89 7.41 0.00 -0.64 -4.97 105.19 108.54 3bg5 n GLY 511 Ca 0.10 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.05 0.00 1.61 5.36 -1.26 -4.39 117.98 119.25 3bg5 s PHE 512 Ca 0.00 0.18 -0.38 0.00 -0.96 0.00 0.00 56.93 55.77 3bg5 s PHE 512 Cb 0.00 -0.05 -0.17 0.00 -0.34 0.00 0.00 43.02 42.45 3bg5 s PHE 512 CO 0.00 -0.06 1.34 -2.30 -1.46 0.00 0.00 175.22 172.74 3bg5 n PRO 513 N 3.46 0.87 -0.91 10.12 -0.02 -1.26 -2.08 135.00 145.19 3bg5 n PRO 513 Ca -0.18 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3bg5 n PRO 513 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3bg5 n PRO 513 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bg5 n ASN 515 N 2.71 -3.48 -4.39 2.55 3.02 -1.26 -4.96 115.26 109.45 3bg5 n ASN 515 Ca 0.20 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.39 3bg5 n ASN 515 Cb 0.15 -2.12 -0.13 0.00 -0.61 0.00 0.00 39.78 37.07 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 -1.60 4.00 -0.24 2.41 1.01 -0.88 -4.87 120.40 120.23 3bg5 s VAL 516 Ca 0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 61.98 61.22 3bg5 s VAL 516 Cb 0.00 -2.92 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 3bg5 s VAL 516 CO 0.00 0.28 1.94 1.21 0.00 0.00 0.00 175.10 178.53 3bg5 n GLU 517 N 4.88 1.46 -1.84 2.72 2.13 -1.26 -4.55 120.64 124.17 3bg5 n GLU 517 Ca -0.16 0.50 -0.42 0.00 0.66 0.00 0.00 57.16 57.73 3bg5 n GLU 517 Cb 0.50 -2.40 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 3bg5 n GLU 517 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3bg5 s LYS 518 N 4.63 3.97 0.05 5.31 2.47 -1.26 -4.93 119.74 129.98 3bg5 s LYS 518 Ca 1.00 2.25 -0.27 0.00 -1.56 0.00 0.00 55.97 57.39 3bg5 s LYS 518 Cb -0.88 -4.11 0.09 0.00 -1.46 0.00 0.00 37.83 31.47 3bg5 s LYS 518 CO 0.56 -1.12 0.87 -0.98 0.16 0.00 0.00 175.35 174.83 3bg5 s ARG 519 N 4.61 0.96 0.38 4.03 1.70 -1.26 -5.15 118.95 124.22 3bg5 s ARG 519 Ca 0.83 -0.40 -0.27 0.00 -0.47 0.00 0.00 55.73 55.41 3bg5 s ARG 519 Cb -0.36 0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 34.32 3bg5 s ARG 519 CO 0.35 -0.43 1.36 -2.30 -1.08 0.00 0.00 175.30 173.21 3bg5 n PRO 520 N -0.31 2.28 -1.51 3.89 -0.02 -1.26 -4.81 135.00 133.27 3bg5 n PRO 520 Ca -0.09 0.80 -0.58 0.00 -2.02 0.00 0.00 63.50 61.61 3bg5 n PRO 520 Cb 0.62 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 3bg5 n PRO 520 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bg5 n LYS 521 N 0.35 0.62 -1.03 -0.52 4.81 -1.26 -4.85 118.16 116.27 3bg5 n LYS 521 Ca 0.04 0.20 -0.33 0.00 -0.87 0.00 0.00 58.31 57.35 3bg5 n LYS 521 Cb 0.38 -1.93 0.13 0.00 0.02 0.00 0.00 35.03 33.63 3bg5 n LYS 521 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3bg5 n PRO 522 N 6.59 0.07 -2.55 1.64 -0.02 -1.26 -4.99 135.00 134.48 3bg5 n PRO 522 Ca 0.40 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 3bg5 n PRO 522 Cb 0.08 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 3bg5 n PRO 522 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bg5 s ASP 523 N -2.19 7.35 -0.01 2.55 2.15 -1.26 -5.06 116.67 120.20 3bg5 s ASP 523 Ca 0.72 2.18 0.03 0.00 0.43 0.00 0.00 52.55 55.91 3bg5 s ASP 523 Cb -0.28 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 39.72 3bg5 s ASP 523 CO 0.53 -0.07 -0.09 -0.31 -0.17 0.00 0.00 175.17 175.05 3bg5 s TYR 524 N -1.18 0.86 0.61 -5.34 1.51 -1.26 -5.10 117.35 107.44 3bg5 s TYR 524 Ca 0.44 -0.18 -0.19 0.00 -1.01 0.00 0.00 57.07 56.12 3bg5 s TYR 524 Cb -0.30 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3bg5 s TYR 524 CO 0.38 -0.05 1.28 -2.00 -1.11 0.00 0.00 175.55 174.06 3bg5 s GLU 525 N -0.03 2.80 0.26 -0.62 2.56 -1.26 -4.96 118.70 117.46 3bg5 s GLU 525 Ca 0.01 2.03 -0.29 0.00 0.00 0.00 0.00 54.97 56.71 3bg5 s GLU 525 Cb -0.06 -1.96 -0.09 0.00 2.00 0.00 0.00 34.13 34.02 3bg5 s GLU 525 CO -0.00 -1.39 1.20 -0.51 -0.56 0.00 0.00 175.26 174.00 3bg5 s LEU 526 N -4.09 4.48 -0.34 2.70 1.43 -1.26 -5.01 118.68 116.59 3bg5 s LEU 526 Ca 0.79 2.39 -0.03 0.00 -1.03 0.00 0.00 54.13 56.25 3bg5 s LEU 526 Cb -0.36 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.30 3bg5 s LEU 526 CO 0.39 -0.34 0.08 0.00 0.23 0.00 0.00 176.35 176.71 3bg5 s ALA 527 N -0.77 2.96 0.06 4.21 0.00 -1.26 -5.06 121.76 121.91 3bg5 s ALA 527 Ca 0.49 -2.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.13 3bg5 s ALA 527 Cb -0.35 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 3bg5 s ALA 527 CO 0.43 -1.45 1.42 -1.54 0.00 0.00 0.00 175.76 174.62 3bg5 s SER 528 N 1.46 6.81 -0.50 0.00 1.04 -1.26 -4.96 113.70 116.29 3bg5 s SER 528 Ca -0.00 2.26 -0.16 0.00 0.48 0.00 0.00 55.95 58.53 3bg5 s SER 528 Cb -0.21 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.43 3bg5 s SER 528 CO -0.01 -0.71 0.46 -0.63 0.98 0.00 0.00 173.24 173.33 3bg5 s ILE 529 N 1.80 5.18 0.59 -1.02 1.01 -1.26 -4.85 121.20 122.66 3bg5 s ILE 529 Ca 0.65 -1.16 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3bg5 s ILE 529 Cb -0.35 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 37.87 3bg5 s ILE 529 CO 0.29 -0.71 1.27 -2.16 0.00 0.00 0.00 174.94 173.62 3bg5 s PRO 530 N 1.74 2.91 -0.01 2.79 0.04 -1.26 -5.02 135.00 136.19 3bg5 s PRO 530 Ca 0.05 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 3bg5 s PRO 530 Cb -0.26 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 3bg5 s PRO 530 CO 0.06 -1.30 0.02 0.99 0.04 0.00 0.00 177.00 176.81 3bg5 s THR 531 N -1.46 0.02 -0.02 1.26 2.01 -1.26 -4.41 115.64 111.78 3bg5 s THR 531 Ca 0.77 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.65 3bg5 s THR 531 Cb -0.35 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 3bg5 s THR 531 CO 0.38 -0.10 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.34 3bg5 s VAL 532 N -0.29 1.50 0.39 3.82 1.01 -1.26 -4.89 120.40 120.69 3bg5 s VAL 532 Ca -0.03 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 3bg5 s VAL 532 Cb -0.02 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 3bg5 s VAL 532 CO -0.00 0.43 1.32 -0.94 0.00 0.00 0.00 175.10 175.90 3bg5 s SER 533 N -0.37 6.38 0.53 3.32 1.04 -1.26 -4.83 113.70 118.50 3bg5 s SER 533 Ca 0.06 2.70 0.24 0.00 0.48 0.00 0.00 55.95 59.43 3bg5 s SER 533 Cb -0.08 -2.64 1.45 0.00 0.10 0.00 0.00 66.02 64.85 3bg5 s SER 533 CO -0.00 -0.81 2.11 0.77 0.98 0.00 0.00 173.24 176.30 3bg5 h SER 534 N 2.81 0.00 0.51 7.02 4.64 -1.99 -2.33 113.55 124.22 3bg5 h SER 534 Ca -0.50 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.59 3bg5 h SER 534 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3bg5 h SER 534 CO 0.63 0.09 -1.05 0.77 -0.87 0.00 0.00 176.83 176.40 3bg5 h SER 535 N 0.00 0.42 -0.22 4.97 4.64 -1.98 0.68 113.55 122.06 3bg5 h SER 535 Ca -0.00 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3bg5 h SER 535 Cb 0.21 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3bg5 h SER 535 CO 0.01 1.23 0.10 0.50 -0.87 0.00 0.00 176.83 177.80 3bg5 h LYS 536 N 0.14 0.32 -0.62 4.77 3.64 -1.82 -2.13 116.57 120.88 3bg5 h LYS 536 Ca -0.09 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3bg5 h LYS 536 Cb 1.72 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.45 3bg5 h LYS 536 CO 0.17 0.34 0.41 0.82 -2.27 0.00 0.00 179.45 178.92 3bg5 h ILE 537 N 0.22 1.14 0.00 2.00 2.04 -1.40 -1.38 117.51 120.12 3bg5 h ILE 537 Ca 0.08 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3bg5 h ILE 537 Cb 0.13 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3bg5 h ILE 537 CO -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 178.15 178.18 3bg5 h ALA 538 N 1.62 1.40 0.00 1.87 0.00 -0.45 -1.88 119.26 121.82 3bg5 h ALA 538 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bg5 h ALA 538 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3bg5 h ALA 538 CO -0.05 0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.99 3bg5 h SER 538 N 0.00 0.00 -4.07 0.00 4.64 -0.60 -3.47 113.55 110.06 3bg5 h SER 538 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3bg5 h SER 538 Cb 0.27 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.43 3bg5 h SER 538 CO 0.01 0.00 0.44 -0.36 -0.87 0.00 0.00 176.83 176.05 3bg5 s PHE 538 N -3.20 2.75 -0.25 4.77 2.99 -0.71 -5.04 117.98 119.29 3bg5 s PHE 538 Ca 0.08 1.55 -0.04 0.00 0.00 0.00 0.00 56.93 58.51 3bg5 s PHE 538 Cb 0.08 -3.28 0.09 0.00 0.00 0.00 0.00 43.02 39.91 3bg5 s PHE 538 CO 0.62 -1.47 0.12 0.45 -0.00 0.00 0.00 175.22 174.93 3bg5 s SER 539 N -1.71 3.17 0.00 1.36 0.15 -1.26 -4.87 113.70 110.54 3bg5 s SER 539 Ca 0.70 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 56.27 3bg5 s SER 539 Cb -0.24 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 3bg5 s SER 539 CO 0.28 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3bg5 n GLY 540 N 5.25 6.41 0.29 9.45 0.00 -1.21 -4.99 105.19 120.40 3bg5 n GLY 540 Ca -0.06 -1.78 0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 0.42 0.17 2.61 1.35 -1.75 -1.68 112.91 114.03 3bg5 h THR 541 Ca 0.00 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3bg5 h THR 541 Cb 0.00 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 3bg5 h THR 541 CO 0.00 0.05 -0.12 0.50 -0.25 0.00 0.00 175.52 175.70 3bg5 h LYS 542 N 0.00 -0.28 0.00 4.72 3.11 -1.69 -1.75 116.57 120.68 3bg5 h LYS 542 Ca -0.00 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 3bg5 h LYS 542 Cb 0.17 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 3bg5 h LYS 542 CO 0.01 -0.19 -0.36 -0.56 -2.81 0.00 0.00 179.45 175.54 3bg5 h GLN 543 N -0.29 0.00 -0.67 1.90 -0.00 -1.54 -2.37 115.11 112.13 3bg5 h GLN 543 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.57 3bg5 h GLN 543 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.71 3bg5 h GLN 543 CO 0.00 0.36 0.16 1.25 -0.00 0.00 0.00 178.83 180.60 3bg5 h LEU 544 N 0.00 1.01 -0.71 0.06 5.85 -1.16 -1.34 115.31 119.02 3bg5 h LEU 544 Ca -0.00 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3bg5 h LEU 544 Cb 0.79 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3bg5 h LEU 544 CO 0.05 0.97 0.15 0.25 -0.34 0.00 0.00 178.44 179.52 3bg5 h LEU 545 N 1.02 1.09 -1.36 2.25 5.85 -1.02 0.09 115.31 123.21 3bg5 h LEU 545 Ca 0.21 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3bg5 h LEU 545 Cb 0.36 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3bg5 h LEU 545 CO 0.00 1.05 -0.31 0.44 -0.34 0.00 0.00 178.44 179.28 3bg5 h ASP 546 N 1.08 0.00 0.09 1.25 3.32 -1.10 -1.11 116.42 119.95 3bg5 h ASP 546 Ca 0.22 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.00 3bg5 h ASP 546 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3bg5 h ASP 546 CO 0.01 0.31 -1.43 -0.33 -1.72 0.00 0.00 179.24 176.08 3bg5 h GLU 547 N 0.00 0.20 -0.00 3.56 4.39 -0.87 -3.42 114.58 118.44 3bg5 h GLU 547 Ca -0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3bg5 h GLU 547 Cb 0.60 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3bg5 h GLU 547 CO 0.04 1.16 -0.07 1.33 -1.16 0.00 0.00 179.01 180.31 3bg5 n VAL 548 N -3.97 0.00 -0.08 3.13 0.24 -0.02 -5.10 118.33 112.54 3bg5 n VAL 548 Ca -0.27 -0.46 0.01 0.00 -2.04 0.00 0.00 64.34 61.58 3bg5 n VAL 548 Cb 0.87 1.06 -0.00 0.00 -1.47 0.00 0.00 33.84 34.30 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 0.58 -1.46 0.32 7.63 0.00 -0.42 -3.33 105.19 108.51 3bg5 n GLY 549 Ca 0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.07 0.93 -0.41 1.61 0.13 -1.80 -2.66 132.00 129.73 3bg5 h PRO 550 Ca 0.00 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.86 3bg5 h PRO 550 Cb 0.07 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.02 3bg5 h PRO 550 CO 0.00 0.75 -0.23 -0.22 -0.23 0.00 0.00 178.00 178.06 3bg5 h LYS 551 N 0.92 0.89 0.00 0.86 3.64 -1.96 -2.87 116.57 118.05 3bg5 h LYS 551 Ca 0.22 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 3bg5 h LYS 551 Cb 0.15 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3bg5 h LYS 551 CO -0.02 1.05 -0.24 0.78 -2.27 0.00 0.00 179.45 178.75 3bg5 h GLY 552 N 0.71 0.00 0.75 5.01 0.00 -1.51 -2.15 103.07 105.87 3bg5 h GLY 552 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3bg5 h GLY 552 CO 0.07 0.00 -0.05 -2.08 0.00 0.00 0.00 176.54 174.48 3bg5 h VAL 553 N 0.00 1.03 -0.86 4.60 2.07 -1.31 -1.41 116.25 120.38 3bg5 h VAL 553 Ca -0.00 -0.55 0.12 0.00 0.82 0.00 0.00 66.70 67.09 3bg5 h VAL 553 Cb 0.42 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 3bg5 h VAL 553 CO 0.03 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.24 3bg5 h ALA 554 N 0.46 1.26 -0.68 1.67 0.00 -1.33 0.10 119.26 120.75 3bg5 h ALA 554 Ca -0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3bg5 h ALA 554 Cb 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3bg5 h ALA 554 CO 0.02 0.04 0.39 0.93 0.00 0.00 0.00 179.25 180.64 3bg5 h GLU 555 N 0.76 0.72 -0.12 0.00 4.39 -1.27 -2.00 114.58 117.05 3bg5 h GLU 555 Ca 0.44 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.95 3bg5 h GLU 555 Cb 0.49 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3bg5 h GLU 555 CO -0.29 0.47 -0.55 2.35 -1.16 0.00 0.00 179.01 179.83 3bg5 h TRP 556 N 0.74 0.46 -0.22 4.33 7.01 0.08 -3.19 115.95 125.16 3bg5 h TRP 556 Ca 0.30 -0.16 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 3bg5 h TRP 556 Cb 0.14 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 3bg5 h TRP 556 CO -0.07 0.84 -0.02 0.28 -2.79 0.00 0.00 178.44 176.68 3bg5 h VAL 557 N 0.28 1.27 -0.34 2.65 2.07 -0.51 -2.83 116.25 118.83 3bg5 h VAL 557 Ca 0.00 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 66.67 3bg5 h VAL 557 Cb 1.06 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3bg5 h VAL 557 CO 0.09 0.29 0.30 0.11 0.02 0.00 0.00 177.57 178.39 3bg5 h LYS 558 N 0.16 0.00 0.00 1.57 1.57 -1.36 -2.46 116.57 116.05 3bg5 h LYS 558 Ca 0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 3bg5 h LYS 558 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3bg5 h LYS 558 CO 0.02 0.00 -1.02 0.87 -0.57 0.00 0.00 179.45 178.75 3bg5 h LYS 559 N 0.00 0.00 -6.40 3.15 1.57 -1.49 -3.46 116.57 109.94 3bg5 h LYS 559 Ca 0.16 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.40 3bg5 h LYS 559 Cb 0.77 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.09 3bg5 h LYS 559 CO -0.00 0.55 0.93 -0.65 -0.57 0.00 0.00 179.45 179.70 3bg5 s GLN 560 N -2.85 4.23 0.02 3.15 -1.52 -0.93 -4.92 119.66 116.85 3bg5 s GLN 560 Ca 0.00 2.15 -0.22 0.00 -1.95 0.00 0.00 55.36 55.35 3bg5 s GLN 560 Cb 0.08 -3.61 -0.16 0.00 -0.22 0.00 0.00 33.01 29.11 3bg5 s GLN 560 CO 0.79 -0.67 1.32 0.22 -0.25 0.00 0.00 175.29 176.70 3bg5 h ASP 561 N 8.17 0.29 -3.65 5.90 -0.00 -1.89 -3.45 116.42 121.80 3bg5 h ASP 561 Ca -0.40 -0.48 -0.57 0.00 -0.00 0.00 0.00 57.03 55.58 3bg5 h ASP 561 Cb 1.19 -0.08 0.15 0.00 -0.00 0.00 0.00 39.33 40.59 3bg5 h ASP 561 CO 0.92 0.72 0.26 0.47 -0.00 0.00 0.00 179.24 181.60 3bg5 n ASP 562 N -4.62 1.32 -4.71 2.28 8.00 -1.26 -4.79 116.55 112.77 3bg5 n ASP 562 Ca -0.07 0.87 -0.42 0.00 0.71 0.00 0.00 54.79 55.88 3bg5 n ASP 562 Cb 0.34 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.97 3bg5 n ASP 562 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bg5 s VAL 563 N -1.43 4.11 0.14 2.53 1.01 -0.30 -4.89 120.40 121.57 3bg5 s VAL 563 Ca 0.74 1.50 -0.04 0.00 0.00 0.00 0.00 61.98 64.18 3bg5 s VAL 563 Cb -0.43 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3bg5 s VAL 563 CO 0.48 0.09 0.37 -0.76 0.00 0.00 0.00 175.10 175.27 3bg5 s LEU 564 N 1.37 4.27 0.16 3.92 1.43 -0.81 -1.29 118.68 127.73 3bg5 s LEU 564 Ca 0.58 0.54 0.10 0.00 -1.03 0.00 0.00 54.13 54.32 3bg5 s LEU 564 Cb -0.28 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3bg5 s LEU 564 CO 0.27 0.05 -0.21 -1.48 0.23 0.00 0.00 176.35 175.21 3bg5 s LEU 565 N -2.72 2.40 -0.18 1.79 0.05 -1.26 -1.84 118.68 116.91 3bg5 s LEU 565 Ca 0.40 -0.82 -0.01 0.00 0.05 0.00 0.00 54.13 53.76 3bg5 s LEU 565 Cb -0.12 -0.98 0.00 0.00 -2.05 0.00 0.00 46.19 43.04 3bg5 s LEU 565 CO 0.25 0.05 -0.14 -0.89 -0.55 0.00 0.00 176.35 175.08 3bg5 s THR 566 N -1.65 2.65 0.22 5.48 2.01 0.17 -0.44 115.64 124.09 3bg5 s THR 566 Ca 0.15 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 3bg5 s THR 566 Cb -0.08 -2.15 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 3bg5 s THR 566 CO 0.07 0.50 0.88 -0.62 -0.69 0.00 0.00 174.62 174.76 3bg5 s ASP 567 N 1.15 7.53 0.00 3.53 2.15 -1.04 -0.37 116.67 129.62 3bg5 s ASP 567 Ca 0.01 1.83 0.04 0.00 0.43 0.00 0.00 52.55 54.86 3bg5 s ASP 567 Cb -0.14 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 39.96 3bg5 s ASP 567 CO -0.05 0.16 0.77 0.35 -0.17 0.00 0.00 175.17 176.22 3bg5 n THR 568 N 1.44 0.32 -0.31 1.71 -2.24 0.09 -0.88 114.28 114.42 3bg5 n THR 568 Ca -0.03 -0.66 0.15 0.00 -2.27 0.00 0.00 64.05 61.23 3bg5 n THR 568 Cb 0.48 0.89 0.31 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.70 0.25 0.00 4.28 2.02 -1.81 0.44 112.91 118.79 3bg5 h THR 569 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3bg5 h THR 569 Cb 0.29 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3bg5 h THR 569 CO 0.00 0.03 0.00 -0.26 0.37 0.00 0.00 175.52 175.66 3bg5 h PHE 570 N 0.16 0.00 0.00 3.16 0.04 -1.86 -3.37 116.94 115.07 3bg5 h PHE 570 Ca 0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.35 3bg5 h PHE 570 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3bg5 h PHE 570 CO -0.29 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.29 3bg5 n ARG 571 N -2.48 0.00 0.25 1.51 0.00 0.02 -4.76 116.66 111.19 3bg5 n ARG 571 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.00 3bg5 n ARG 571 Cb 0.37 0.00 0.61 0.00 0.00 0.00 0.00 32.46 33.44 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 0.00 -0.28 6.15 -0.00 -1.48 -1.78 116.42 119.02 3bg5 h ASP 572 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.96 3bg5 h ASP 572 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 3bg5 h ASP 572 CO 0.00 0.17 -0.08 0.00 -0.00 0.00 0.00 179.24 179.33 3bg5 h ALA 573 N 1.83 0.39 0.00 -0.78 0.00 -1.59 -1.75 119.26 117.36 3bg5 h ALA 573 Ca -0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3bg5 h ALA 573 Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3bg5 h ALA 573 CO 0.02 0.22 -1.04 1.12 0.00 0.00 0.00 179.25 179.57 3bg5 h HIS 574 N 0.31 0.00 -0.99 0.00 2.07 -1.67 -1.35 115.15 113.52 3bg5 h HIS 574 Ca 0.07 0.00 0.11 0.00 -2.85 0.00 0.00 60.37 57.70 3bg5 h HIS 574 Cb 0.57 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.47 3bg5 h HIS 574 CO 0.05 0.84 0.62 0.37 -3.07 0.00 0.00 177.93 176.75 3bg5 h GLN 575 N 0.00 0.98 0.21 5.12 4.15 -1.33 0.13 115.11 124.37 3bg5 h GLN 575 Ca -0.07 -0.06 -0.32 0.00 0.77 0.00 0.00 58.65 58.97 3bg5 h GLN 575 Cb 1.70 -0.22 0.03 0.00 0.21 0.00 0.00 27.48 29.20 3bg5 h GLN 575 CO 0.10 0.65 -1.45 0.77 -1.93 0.00 0.00 178.83 176.96 3bg5 h SER 576 N 1.01 0.71 0.00 -0.69 0.02 -1.20 -3.33 113.55 110.06 3bg5 h SER 576 Ca 0.48 -0.79 -0.16 0.00 -0.84 0.00 0.00 61.79 60.49 3bg5 h SER 576 Cb 0.44 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3bg5 h SER 576 CO -0.25 1.62 -2.13 0.18 -1.14 0.00 0.00 176.83 175.11 3bg5 n LEU 577 N -3.65 0.00 -1.45 5.07 4.77 -0.52 -4.67 117.00 116.55 3bg5 n LEU 577 Ca -0.15 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 3bg5 n LEU 577 Cb 1.08 0.21 0.06 0.00 -2.33 0.00 0.00 43.42 42.45 3bg5 n LEU 577 CO 0.58 0.21 0.12 0.18 -1.33 0.00 0.00 177.39 177.15 3bg5 n LEU 578 N -2.45 1.53 -3.72 2.23 4.77 0.34 -3.76 117.00 115.94 3bg5 n LEU 578 Ca -0.16 -2.57 -0.28 0.00 -0.03 0.00 0.00 56.01 52.96 3bg5 n LEU 578 Cb 0.81 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.81 3bg5 n LEU 578 CO 0.43 0.79 -0.01 0.00 -1.33 0.00 0.00 177.39 177.26 3bg5 n ALA 579 N 0.02 -1.15 -2.18 -1.18 0.00 -1.05 -1.68 120.51 113.30 3bg5 n ALA 579 Ca 0.10 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 3bg5 n ALA 579 Cb 1.02 -3.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 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 -4.17 -0.59 1.14 0.00 -1.04 -0.50 -4.88 114.28 104.25 3bg5 n THR 580 Ca 0.03 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.17 3bg5 n THR 580 Cb 0.52 -2.17 0.50 0.00 -1.82 0.00 0.00 70.33 67.36 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 -2.70 0.25 -1.83 -2.82 5.12 -0.68 -4.79 116.66 109.21 3bg5 n ARG 581 Ca -0.19 -0.09 -0.42 0.00 -1.93 0.00 0.00 57.85 55.22 3bg5 n ARG 581 Cb 0.62 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.40 3bg5 n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3bg5 s VAL 582 N -2.81 2.64 0.38 1.55 1.01 -1.26 -4.93 120.40 116.98 3bg5 s VAL 582 Ca 0.18 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 3bg5 s VAL 582 Cb 0.19 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 3bg5 s VAL 582 CO 0.56 0.01 0.81 -0.13 0.00 0.00 0.00 175.10 176.35 3bg5 s ARG 583 N 2.13 4.00 0.30 2.72 0.52 -1.26 -4.96 118.95 122.39 3bg5 s ARG 583 Ca 0.75 0.74 0.01 0.00 -0.52 0.00 0.00 55.73 56.72 3bg5 s ARG 583 Cb -0.44 -2.35 0.73 0.00 0.52 0.00 0.00 34.95 33.41 3bg5 s ARG 583 CO 0.33 0.04 1.59 1.15 0.02 0.00 0.00 175.30 178.44 3bg5 h THR 584 N 1.68 0.11 -0.93 0.02 2.02 -1.91 -2.08 112.91 111.83 3bg5 h THR 584 Ca -0.48 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 66.78 3bg5 h THR 584 Cb 1.18 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 3bg5 h THR 584 CO 0.64 0.01 0.60 0.50 0.37 0.00 0.00 175.52 177.63 3bg5 h LYS 585 N 0.06 0.93 0.00 6.66 1.63 -1.91 0.18 116.57 124.11 3bg5 h LYS 585 Ca 0.57 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 60.25 3bg5 h LYS 585 Cb 1.18 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 3bg5 h LYS 585 CO -0.84 0.61 -0.31 -0.44 -3.45 0.00 0.00 179.45 175.03 3bg5 h ASP 586 N 0.96 0.00 0.05 4.20 3.45 -1.75 -2.70 116.42 120.62 3bg5 h ASP 586 Ca 0.43 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.88 3bg5 h ASP 586 Cb 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 3bg5 h ASP 586 CO -0.19 0.31 -0.02 0.24 -1.57 0.00 0.00 179.24 178.01 3bg5 h MET 587 N 0.00 -0.06 -0.79 3.56 2.86 -0.70 -3.34 114.93 116.47 3bg5 h MET 587 Ca -0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 3bg5 h MET 587 Cb 0.99 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 32.53 3bg5 h MET 587 CO 0.04 0.56 0.02 0.82 1.06 0.00 0.00 176.91 179.41 3bg5 h ILE 588 N -0.90 0.31 -0.83 -1.22 1.08 -0.88 -1.60 117.51 113.46 3bg5 h ILE 588 Ca -0.01 -0.04 0.12 0.00 -0.39 0.00 0.00 64.86 64.55 3bg5 h ILE 588 Cb 0.65 0.20 -0.08 0.00 -3.07 0.00 0.00 36.82 34.51 3bg5 h ILE 588 CO 0.01 0.02 0.45 0.78 -0.69 0.00 0.00 178.15 178.72 3bg5 h ASN 589 N 0.11 0.59 -0.53 1.72 -0.26 -1.59 -1.33 115.58 114.29 3bg5 h ASN 589 Ca 0.44 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.25 3bg5 h ASN 589 Cb 0.79 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 3bg5 h ASN 589 CO -0.69 0.29 0.00 2.30 -1.06 0.00 0.00 177.43 178.27 3bg5 n ILE 590 N -4.82 0.70 -0.07 2.81 -6.64 -0.83 -4.59 119.36 105.92 3bg5 n ILE 590 Ca 0.15 -0.80 -0.07 0.00 -1.77 0.00 0.00 62.75 60.27 3bg5 n ILE 590 Cb 0.36 0.63 -0.01 0.00 -1.44 0.00 0.00 39.64 39.19 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 4.32 0.08 -0.77 -1.28 0.00 -0.29 0.39 119.26 121.70 3bg5 h ALA 591 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bg5 h ALA 591 Cb 0.89 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3bg5 h ALA 591 CO 0.00 -0.54 0.49 0.66 0.00 0.00 0.00 179.25 179.86 3bg5 h SER 592 N -0.11 0.89 -0.60 0.00 4.64 -1.79 -0.04 113.55 116.55 3bg5 h SER 592 Ca 0.15 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3bg5 h SER 592 Cb 0.33 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3bg5 h SER 592 CO -0.35 0.66 0.04 0.50 -0.87 0.00 0.00 176.83 176.82 3bg5 h LYS 593 N 1.04 1.02 -0.40 4.77 1.63 -1.53 -2.87 116.57 120.24 3bg5 h LYS 593 Ca 0.28 -0.31 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3bg5 h LYS 593 Cb -0.10 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 3bg5 h LYS 593 CO -0.06 0.99 0.23 1.15 -3.45 0.00 0.00 179.45 178.31 3bg5 h THR 594 N 0.92 1.03 -0.90 1.00 2.02 0.11 0.13 112.91 117.22 3bg5 h THR 594 Ca 0.17 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.35 3bg5 h THR 594 Cb 0.50 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 3bg5 h THR 594 CO 0.02 0.08 0.58 0.00 0.37 0.00 0.00 175.52 176.57 3bg5 h ALA 595 N 1.18 1.88 0.01 6.16 0.00 -0.84 -0.67 119.26 126.98 3bg5 h ALA 595 Ca 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3bg5 h ALA 595 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bg5 h ALA 595 CO -0.08 -0.13 -0.21 0.22 0.00 0.00 0.00 179.25 179.04 3bg5 h ASP 596 N 0.65 0.17 -0.12 0.00 3.58 -1.19 -3.08 116.42 116.43 3bg5 h ASP 596 Ca 0.46 -0.83 0.02 0.00 0.42 0.00 0.00 57.03 57.09 3bg5 h ASP 596 Cb 0.80 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 3bg5 h ASP 596 CO -0.21 0.98 0.01 0.58 -2.88 0.00 0.00 179.24 177.72 3bg5 h VAL 597 N -0.63 0.94 -0.66 2.25 2.07 -0.32 -2.79 116.25 117.11 3bg5 h VAL 597 Ca -0.03 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 3bg5 h VAL 597 Cb 1.02 0.87 -0.15 0.00 -1.52 0.00 0.00 31.29 31.52 3bg5 h VAL 597 CO 0.04 0.01 0.32 0.49 0.02 0.00 0.00 177.57 178.45 3bg5 n PHE 598 N -5.10 2.13 0.19 1.57 3.01 -0.32 -3.96 117.46 114.97 3bg5 n PHE 598 Ca -0.04 -1.18 0.18 0.00 1.01 0.00 0.00 57.45 57.42 3bg5 n PHE 598 Cb 0.07 -0.66 0.78 0.00 -0.01 0.00 0.00 39.48 39.66 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 1.70 0.00 -0.26 -1.08 2.10 -1.40 0.28 116.57 117.91 3bg5 h LYS 599 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3bg5 h LYS 599 Cb 2.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.50 3bg5 h LYS 599 CO 0.69 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.89 3bg5 n ASP 600 N -3.44 2.66 -4.72 7.07 8.00 -1.26 -4.56 116.55 120.30 3bg5 n ASP 600 Ca 0.04 -1.90 -0.30 0.00 0.71 0.00 0.00 54.79 53.34 3bg5 n ASP 600 Cb 0.51 -0.17 0.14 0.00 -0.02 0.00 0.00 41.12 41.57 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 -0.97 1.62 -0.04 0.44 0.00 0.09 -4.77 107.32 103.68 3bg5 s GLY 601 Ca 0.19 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.66 3bg5 s GLY 601 CO 0.14 0.45 0.96 -2.75 0.00 0.00 0.00 173.10 171.89 3bg5 h PHE 602 N -1.53 0.48 -2.74 1.90 3.57 -1.07 -3.42 116.94 114.14 3bg5 h PHE 602 Ca -0.49 -0.32 0.07 0.00 3.53 0.00 0.00 57.97 60.77 3bg5 h PHE 602 Cb 1.28 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 3bg5 h PHE 602 CO 0.44 1.20 0.32 -1.54 -2.23 0.00 0.00 178.31 176.50 3bg5 s SER 603 N -6.77 -0.35 -0.29 0.41 1.04 -1.22 -4.00 113.70 102.52 3bg5 s SER 603 Ca -0.14 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 3bg5 s SER 603 Cb 0.01 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3bg5 s SER 603 CO 0.81 -1.02 0.06 -0.76 0.98 0.00 0.00 173.24 173.30 3bg5 s LEU 604 N -2.80 3.72 -0.13 2.42 1.43 -0.41 -2.49 118.68 120.41 3bg5 s LEU 604 Ca 0.07 -0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 52.17 3bg5 s LEU 604 Cb -0.03 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3bg5 s LEU 604 CO -0.03 -0.17 1.50 -0.70 0.23 0.00 0.00 176.35 177.18 3bg5 s GLU 605 N 1.48 4.11 0.00 1.70 2.12 -0.06 -1.19 118.70 126.86 3bg5 s GLU 605 Ca 0.02 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.22 3bg5 s GLU 605 Cb -0.17 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.30 3bg5 s GLU 605 CO 0.01 -0.91 0.51 0.00 -0.54 0.00 0.00 175.26 174.34 3bg5 n MET 606 N 7.08 0.00 -3.73 4.30 0.00 -0.75 -3.25 117.12 120.77 3bg5 n MET 606 Ca 0.16 -0.45 -0.09 0.00 0.00 0.00 0.00 57.70 57.32 3bg5 n MET 606 Cb 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 33.22 33.31 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 -0.24 0.00 3.17 -0.00 -1.23 -4.77 118.94 115.87 3bg5 s TRP 607 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 56.10 55.97 3bg5 s TRP 607 Cb 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 33.47 34.06 3bg5 s TRP 607 CO 0.00 -1.07 0.00 0.41 -0.00 0.00 0.00 176.95 176.29 3bg5 n GLY 608 N -0.42 -1.94 7.00 5.86 0.00 -1.26 -2.58 105.19 111.85 3bg5 n GLY 608 Ca -0.08 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 2.89 0.01 -0.02 0.00 -1.18 -2.41 105.19 104.47 3bg5 n GLY 609 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 10.11 2.85 -0.05 4.61 0.00 -1.26 -4.32 120.51 132.44 3bg5 n ALA 610 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 3bg5 n ALA 610 Cb 0.00 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.29 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 0.03 1.26 -0.18 0.00 1.35 -1.83 -0.66 112.91 112.88 3bg5 h THR 611 Ca 0.00 -1.19 0.04 0.00 -0.55 0.00 0.00 66.41 64.71 3bg5 h THR 611 Cb 0.49 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 3bg5 h THR 611 CO 0.00 0.40 -0.07 0.15 -0.25 0.00 0.00 175.52 175.75 3bg5 h PHE 612 N 0.60 -0.16 0.08 4.73 3.57 -1.75 -0.87 116.94 123.13 3bg5 h PHE 612 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3bg5 h PHE 612 Cb 0.61 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3bg5 h PHE 612 CO 0.03 -0.11 -0.04 0.22 -2.23 0.00 0.00 178.31 176.17 3bg5 h ASP 613 N -0.04 -0.09 -0.63 0.41 -0.00 -1.80 -2.90 116.42 111.36 3bg5 h ASP 613 Ca 0.09 -0.43 -0.01 0.00 -0.00 0.00 0.00 57.03 56.69 3bg5 h ASP 613 Cb 0.18 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.51 3bg5 h ASP 613 CO -0.21 0.41 0.37 0.58 -0.00 0.00 0.00 179.24 180.39 3bg5 h VAL 614 N -0.61 1.19 -0.03 2.25 2.07 -1.08 0.17 116.25 120.21 3bg5 h VAL 614 Ca -0.01 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3bg5 h VAL 614 Cb 0.51 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3bg5 h VAL 614 CO 0.02 0.20 -0.13 0.00 0.02 0.00 0.00 177.57 177.67 3bg5 h ALA 615 N 1.19 -0.13 -0.60 1.67 0.00 -1.23 0.36 119.26 120.51 3bg5 h ALA 615 Ca 0.22 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3bg5 h ALA 615 Cb -0.01 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3bg5 h ALA 615 CO -0.04 -0.61 0.08 1.88 0.00 0.00 0.00 179.25 180.55 3bg5 h TYR 616 N -0.21 1.07 0.00 0.00 0.99 -1.26 0.24 116.97 117.80 3bg5 h TYR 616 Ca 0.05 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.63 3bg5 h TYR 616 Cb 0.28 -0.29 0.00 0.00 1.00 0.00 0.00 36.73 37.72 3bg5 h TYR 616 CO -0.20 0.93 -0.41 -0.97 -0.00 0.00 0.00 178.16 177.50 3bg5 h ASN 617 N 0.90 0.00 0.08 3.88 -0.00 -0.44 -3.24 115.58 116.77 3bg5 h ASN 617 Ca 0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 56.34 3bg5 h ASN 617 Cb 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.78 3bg5 h ASN 617 CO 0.02 0.66 -0.64 -0.26 -0.00 0.00 0.00 177.43 177.20 3bg5 h PHE 618 N -0.91 0.32 0.00 0.67 -1.00 -1.16 -3.36 116.94 111.51 3bg5 h PHE 618 Ca 0.00 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 60.55 3bg5 h PHE 618 Cb 0.41 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3bg5 h PHE 618 CO -0.18 1.25 -0.13 -0.07 -1.61 0.00 0.00 178.31 177.58 3bg5 h LEU 619 N -0.61 0.00 -1.37 1.54 3.38 -1.38 -3.48 115.31 113.39 3bg5 h LEU 619 Ca -0.13 -0.03 -0.48 0.00 0.09 0.00 0.00 57.88 57.33 3bg5 h LEU 619 Cb 1.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 3bg5 h LEU 619 CO 0.07 0.01 -0.81 0.29 0.09 0.00 0.00 178.44 178.09 3bg5 n LYS 620 N -2.45 -4.57 -4.20 1.13 4.01 0.14 -4.90 118.16 107.33 3bg5 n LYS 620 Ca 0.05 0.53 -0.19 0.00 -0.51 0.00 0.00 58.31 58.19 3bg5 n LYS 620 Cb 0.46 -5.17 -0.12 0.00 -0.51 0.00 0.00 35.03 29.69 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 -6.51 0.90 -0.34 1.97 -1.05 0.59 -4.71 118.70 109.56 3bg5 s GLU 621 Ca 0.40 -1.05 -0.29 0.00 -0.15 0.00 0.00 54.97 53.87 3bg5 s GLU 621 Cb -0.20 -0.88 0.02 0.00 -0.44 0.00 0.00 34.13 32.62 3bg5 s GLU 621 CO 0.85 0.19 1.12 1.21 0.95 0.00 0.00 175.26 179.59 3bg5 s ASN 622 N -1.95 6.85 0.57 0.83 3.04 -1.26 -2.91 114.94 120.10 3bg5 s ASN 622 Ca 0.02 1.00 0.29 0.00 0.04 0.00 0.00 52.86 54.21 3bg5 s ASN 622 Cb -0.08 -2.54 1.71 0.00 -1.54 0.00 0.00 41.25 38.79 3bg5 s ASN 622 CO 0.03 -0.96 2.20 1.55 -3.04 0.00 0.00 177.10 176.87 3bg5 h PRO 623 N 8.44 0.00 -0.57 0.43 0.13 -1.89 -1.90 132.00 136.64 3bg5 h PRO 623 Ca -0.22 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 3bg5 h PRO 623 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3bg5 h PRO 623 CO 1.05 0.04 0.01 -1.49 -0.23 0.00 0.00 178.00 177.38 3bg5 h TRP 624 N 0.00 1.09 -0.85 1.56 4.06 -1.97 -2.12 115.95 117.72 3bg5 h TRP 624 Ca -0.00 -0.18 -0.03 0.00 2.06 0.00 0.00 58.89 60.74 3bg5 h TRP 624 Cb 0.11 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 27.95 3bg5 h TRP 624 CO 0.00 0.97 0.42 0.93 -3.56 0.00 0.00 178.44 177.20 3bg5 h GLU 625 N 0.89 1.22 0.19 0.49 5.08 -1.76 -0.70 114.58 119.98 3bg5 h GLU 625 Ca 0.16 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3bg5 h GLU 625 Cb 0.53 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3bg5 h GLU 625 CO 0.03 0.93 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.56 3bg5 h ARG 626 N 1.21 -0.56 -0.22 2.33 2.43 -1.28 -0.65 114.38 117.65 3bg5 h ARG 626 Ca 0.29 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.56 3bg5 h ARG 626 Cb 0.11 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 3bg5 h ARG 626 CO -0.04 -0.37 -0.31 1.25 -1.51 0.00 0.00 179.97 178.99 3bg5 h LEU 627 N -0.58 -0.99 -0.31 3.80 5.85 -1.16 -1.23 115.31 120.69 3bg5 h LEU 627 Ca 0.01 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3bg5 h LEU 627 Cb 0.58 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3bg5 h LEU 627 CO -0.14 -0.34 0.09 -0.33 -0.34 0.00 0.00 178.44 177.38 3bg5 h GLU 628 N -0.34 0.48 -0.24 1.25 5.08 -0.97 -0.02 114.58 119.83 3bg5 h GLU 628 Ca 0.12 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3bg5 h GLU 628 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3bg5 h GLU 628 CO -0.41 0.53 0.04 0.00 -1.00 0.00 0.00 179.01 178.18 3bg5 h ARG 629 N 0.33 0.39 -0.79 2.33 3.08 -1.08 -2.46 114.38 116.19 3bg5 h ARG 629 Ca 0.10 -0.11 0.09 0.00 0.07 0.00 0.00 59.98 60.13 3bg5 h ARG 629 Cb 0.26 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3bg5 h ARG 629 CO -0.00 0.53 0.51 -0.07 -1.07 0.00 0.00 179.97 179.87 3bg5 h LEU 630 N 0.20 0.66 0.23 3.04 3.38 -1.15 -2.56 115.31 119.11 3bg5 h LEU 630 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3bg5 h LEU 630 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3bg5 h LEU 630 CO 0.00 0.40 -0.15 -0.09 0.09 0.00 0.00 178.44 178.69 3bg5 h ARG 631 N 0.73 -0.36 -0.55 1.13 1.12 -0.59 0.57 114.38 116.44 3bg5 h ARG 631 Ca 0.36 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.28 3bg5 h ARG 631 Cb 0.43 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 3bg5 h ARG 631 CO -0.14 -0.24 0.33 0.87 -3.11 0.00 0.00 179.97 177.69 3bg5 h LYS 632 N -0.37 0.64 0.00 0.20 1.57 -1.28 -2.93 116.57 114.40 3bg5 h LYS 632 Ca -0.02 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3bg5 h LYS 632 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3bg5 h LYS 632 CO 0.02 0.42 -0.46 0.00 -0.57 0.00 0.00 179.45 178.86 3bg5 h ALA 633 N 1.25 1.13 -2.52 3.86 0.00 -1.24 -3.34 119.26 118.39 3bg5 h ALA 633 Ca 0.22 -0.42 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 3bg5 h ALA 633 Cb 0.02 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.33 3bg5 h ALA 633 CO -0.10 0.57 -0.75 -0.89 0.00 0.00 0.00 179.25 178.08 3bg5 n ILE 634 N -3.83 0.84 1.25 0.00 5.41 0.17 -4.50 119.36 118.70 3bg5 n ILE 634 Ca -0.01 -4.51 0.14 0.00 1.00 0.00 0.00 62.75 59.37 3bg5 n ILE 634 Cb 0.50 -2.01 0.65 0.00 -0.71 0.00 0.00 39.64 38.07 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 1.77 0.31 0.02 0.38 -0.04 -1.18 -4.17 135.00 132.08 3bg5 n PRO 635 Ca 0.25 -0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 3bg5 n PRO 635 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.31 0.36 -4.52 3.54 6.94 -1.26 -4.66 115.26 114.35 3bg5 n ASN 636 Ca 0.11 0.15 -0.32 0.00 -0.02 0.00 0.00 54.58 54.50 3bg5 n ASN 636 Cb 0.29 1.20 -0.12 0.00 -2.36 0.00 0.00 39.78 38.79 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 -3.29 3.22 0.33 3.53 1.01 -1.26 -2.18 120.40 121.78 3bg5 s VAL 637 Ca -0.05 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3bg5 s VAL 637 Cb 0.11 -2.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.05 3bg5 s VAL 637 CO 0.85 0.47 1.53 -0.76 0.00 0.00 0.00 175.10 177.19 3bg5 s LEU 638 N -1.13 4.34 -0.16 3.92 1.43 -1.26 -4.61 118.68 121.21 3bg5 s LEU 638 Ca 0.14 2.98 -0.14 0.00 -1.03 0.00 0.00 54.13 56.08 3bg5 s LEU 638 Cb -0.11 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3bg5 s LEU 638 CO 0.04 -0.87 0.31 -0.36 0.23 0.00 0.00 176.35 175.70 3bg5 s PHE 639 N -0.58 3.45 0.04 0.29 0.40 -1.26 -1.29 117.98 119.03 3bg5 s PHE 639 Ca 0.57 0.61 0.07 0.00 -0.60 0.00 0.00 56.93 57.58 3bg5 s PHE 639 Cb -0.47 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 3bg5 s PHE 639 CO 0.55 0.21 -0.16 -1.14 0.70 0.00 0.00 175.22 175.38 3bg5 s GLN 640 N 0.57 2.14 0.10 0.44 0.74 -0.33 -0.29 119.66 123.03 3bg5 s GLN 640 Ca 0.17 -0.95 0.03 0.00 0.05 0.00 0.00 55.36 54.66 3bg5 s GLN 640 Cb -0.13 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.70 3bg5 s GLN 640 CO 0.05 0.55 -0.08 0.00 -0.55 0.00 0.00 175.29 175.25 3bg5 s MET 641 N -1.49 0.84 -0.07 1.67 0.23 -0.50 -1.81 119.30 118.17 3bg5 s MET 641 Ca 0.15 -1.25 -0.19 0.00 -1.03 0.00 0.00 55.69 53.38 3bg5 s MET 641 Cb -0.11 -0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 32.79 3bg5 s MET 641 CO 0.06 0.03 0.52 -1.17 -2.03 0.00 0.00 175.02 172.43 3bg5 s LEU 642 N -2.77 4.34 -0.17 0.18 2.96 -1.07 -1.08 118.68 121.08 3bg5 s LEU 642 Ca 0.09 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3bg5 s LEU 642 Cb 0.01 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.98 3bg5 s LEU 642 CO -0.02 0.06 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.83 3bg5 s LEU 643 N 0.23 1.38 -0.21 -0.68 2.96 0.01 -3.13 118.68 119.24 3bg5 s LEU 643 Ca 0.28 -0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 53.22 3bg5 s LEU 643 Cb -0.16 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 3bg5 s LEU 643 CO 0.13 -0.24 1.48 -0.13 -1.32 0.00 0.00 176.35 176.28 3bg5 s ARG 644 N 1.75 3.94 0.18 1.98 0.52 0.17 -2.83 118.95 124.65 3bg5 s ARG 644 Ca 0.00 1.62 -0.21 0.00 -0.52 0.00 0.00 55.73 56.62 3bg5 s ARG 644 Cb -0.16 -3.95 0.11 0.00 0.52 0.00 0.00 34.95 31.48 3bg5 s ARG 644 CO -0.07 -1.10 1.60 0.00 0.02 0.00 0.00 175.30 175.75 3bg5 h ALA 645 N 9.81 -0.03 0.28 2.13 0.00 -1.27 0.47 119.26 130.65 3bg5 h ALA 645 Ca -0.31 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bg5 h ALA 645 Cb 1.13 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 3bg5 h ALA 645 CO 1.00 -0.66 -0.35 0.66 0.00 0.00 0.00 179.25 179.90 3bg5 h SER 646 N -0.18 -0.97 -0.01 0.00 4.64 -1.82 -3.38 113.55 111.83 3bg5 h SER 646 Ca 0.21 0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.51 3bg5 h SER 646 Cb 0.53 0.34 -0.25 0.00 -0.31 0.00 0.00 62.40 62.71 3bg5 h SER 646 CO -0.60 -0.47 -0.84 -0.46 -0.87 0.00 0.00 176.83 173.58 3bg5 n ASN 647 N -5.45 1.30 0.00 4.97 2.04 -0.97 -4.43 115.26 112.71 3bg5 n ASN 647 Ca -0.09 -2.71 0.00 0.00 -0.44 0.00 0.00 54.58 51.34 3bg5 n ASN 647 Cb 0.36 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 3bg5 n ASN 647 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3bg5 n ALA 648 N -0.11 0.00 -0.24 -2.53 0.00 0.16 0.34 120.51 118.12 3bg5 n ALA 648 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3bg5 n ALA 648 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 0.66 -1.67 0.00 3.14 -1.26 -0.66 118.33 118.54 3bg5 n VAL 649 Ca 0.00 -0.71 -0.02 0.00 -2.96 0.00 0.00 64.34 60.65 3bg5 n VAL 649 Cb 0.00 0.70 0.01 0.00 -1.06 0.00 0.00 33.84 33.49 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 -0.33 -0.19 0.15 7.55 0.00 0.15 -4.74 105.19 107.79 3bg5 n GLY 650 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.80 0.09 -2.53 1.61 0.18 -1.26 -4.96 117.16 108.48 3bg5 n TYR 651 Ca 0.01 -0.37 0.00 0.00 1.88 0.00 0.00 57.90 59.42 3bg5 n TYR 651 Cb 0.04 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 3bg5 n TYR 651 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 3bg5 n LYS 652 N -0.14 0.00 -4.43 -3.48 4.81 -1.26 -5.16 118.16 108.50 3bg5 n LYS 652 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 3bg5 n LYS 652 Cb 0.24 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.18 3bg5 n LYS 652 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3bg5 s ASN 653 N 1.13 4.58 -0.01 3.14 0.01 -1.26 -4.57 114.94 117.96 3bg5 s ASN 653 Ca 0.00 -0.19 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 3bg5 s ASN 653 Cb 0.00 -1.03 -0.00 0.00 0.41 0.00 0.00 41.25 40.62 3bg5 s ASN 653 CO 0.00 0.27 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.50 3bg5 s TYR 654 N -1.03 0.42 0.84 2.20 1.51 -1.26 -5.08 117.35 114.94 3bg5 s TYR 654 Ca 0.18 -0.08 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 3bg5 s TYR 654 Cb -0.11 -0.28 0.09 0.00 -0.11 0.00 0.00 41.96 41.55 3bg5 s TYR 654 CO 0.09 -0.01 1.07 -0.35 -1.11 0.00 0.00 175.55 175.24 3bg5 n PRO 655 N 3.03 0.00 -0.29 -1.71 -0.04 -1.26 -4.73 135.00 130.00 3bg5 n PRO 655 Ca -0.13 0.08 0.17 0.00 -0.04 0.00 0.00 63.50 63.57 3bg5 n PRO 655 Cb 0.58 -2.33 0.45 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.15 0.54 0.65 3.54 3.45 -1.90 -2.00 116.42 119.54 3bg5 h ASP 656 Ca -0.45 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.00 3bg5 h ASP 656 Cb 1.29 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 40.02 3bg5 h ASP 656 CO 0.43 0.20 -0.34 -0.55 -1.57 0.00 0.00 179.24 177.41 3bg5 h ASN 657 N 0.53 0.00 -0.37 6.45 -1.07 -1.96 -0.51 115.58 118.65 3bg5 h ASN 657 Ca 0.52 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.80 3bg5 h ASN 657 Cb 1.11 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.35 3bg5 h ASN 657 CO -0.25 0.34 -0.11 0.58 0.07 0.00 0.00 177.43 178.06 3bg5 h VAL 658 N 0.00 1.28 -0.62 6.14 2.07 -1.71 -0.35 116.25 123.07 3bg5 h VAL 658 Ca -0.00 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 3bg5 h VAL 658 Cb 0.76 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3bg5 h VAL 658 CO 0.04 0.40 0.37 0.40 0.02 0.00 0.00 177.57 178.80 3bg5 h ILE 659 N 0.53 1.18 -0.12 4.57 1.08 -1.27 -2.18 117.51 121.30 3bg5 h ILE 659 Ca 0.09 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3bg5 h ILE 659 Cb 0.64 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 3bg5 h ILE 659 CO 0.04 0.19 0.04 0.45 -0.69 0.00 0.00 178.15 178.18 3bg5 h HIS 660 N 0.83 0.19 -0.98 1.37 3.86 -1.04 -2.62 115.15 116.77 3bg5 h HIS 660 Ca 0.22 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3bg5 h HIS 660 Cb -0.02 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.35 3bg5 h HIS 660 CO -0.02 0.31 0.64 -0.22 0.86 0.00 0.00 177.93 179.49 3bg5 h LYS 661 N 0.02 1.30 -0.35 2.45 3.64 -0.98 -1.12 116.57 121.53 3bg5 h LYS 661 Ca 0.04 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3bg5 h LYS 661 Cb 0.20 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3bg5 h LYS 661 CO -0.00 0.87 0.07 0.35 -2.27 0.00 0.00 179.45 178.46 3bg5 h PHE 662 N 1.33 0.60 -0.42 1.91 3.57 -1.32 -0.97 116.94 121.64 3bg5 h PHE 662 Ca 0.36 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3bg5 h PHE 662 Cb -0.13 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3bg5 h PHE 662 CO 0.00 0.62 0.18 0.28 -2.23 0.00 0.00 178.31 177.16 3bg5 h VAL 663 N 0.41 1.19 -0.22 1.41 2.07 -1.22 0.87 116.25 120.77 3bg5 h VAL 663 Ca 0.11 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3bg5 h VAL 663 Cb 0.33 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3bg5 h VAL 663 CO 0.00 0.21 -0.31 1.56 0.02 0.00 0.00 177.57 179.06 3bg5 h GLN 664 N 0.54 -0.32 -0.10 1.57 4.20 -1.02 0.19 115.11 120.18 3bg5 h GLN 664 Ca 0.14 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 3bg5 h GLN 664 Cb 0.16 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3bg5 h GLN 664 CO -0.01 -0.21 -0.50 0.93 -0.67 0.00 0.00 178.83 178.37 3bg5 h GLU 665 N -0.33 0.25 -0.21 1.46 4.39 -1.00 -1.74 114.58 117.40 3bg5 h GLU 665 Ca 0.12 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3bg5 h GLU 665 Cb 0.53 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3bg5 h GLU 665 CO -0.41 0.69 -0.06 0.77 -1.16 0.00 0.00 179.01 178.85 3bg5 h SER 666 N 0.20 0.41 -0.50 1.42 0.02 -0.23 -0.93 113.55 113.93 3bg5 h SER 666 Ca 0.01 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3bg5 h SER 666 Cb 0.95 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3bg5 h SER 666 CO 0.08 0.69 0.11 0.00 -1.14 0.00 0.00 176.83 176.56 3bg5 h ALA 667 N 0.73 0.66 -0.57 3.77 0.00 -0.57 -2.16 119.26 121.13 3bg5 h ALA 667 Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3bg5 h ALA 667 Cb 0.51 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3bg5 h ALA 667 CO 0.02 0.36 0.29 0.87 0.00 0.00 0.00 179.25 180.80 3bg5 h LYS 668 N 0.69 0.54 0.00 0.00 1.57 -1.25 -2.88 116.57 115.24 3bg5 h LYS 668 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3bg5 h LYS 668 Cb 0.36 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3bg5 h LYS 668 CO 0.00 0.35 -0.06 0.00 -0.57 0.00 0.00 179.45 179.17 3bg5 h ALA 669 N 1.31 1.02 0.00 3.86 0.00 -0.84 -3.46 119.26 121.15 3bg5 h ALA 669 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bg5 h ALA 669 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bg5 h ALA 669 CO -0.18 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3bg5 n GLY 670 N 0.04 0.33 3.73 0.00 0.00 -1.00 -4.46 105.19 103.82 3bg5 n GLY 670 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.94 -0.03 -0.61 -1.09 -0.85 -4.49 121.20 118.07 3bg5 s ILE 671 Ca 0.00 1.57 0.02 0.00 -2.23 0.00 0.00 60.65 60.01 3bg5 s ILE 671 Cb 0.00 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3bg5 s ILE 671 CO 0.00 0.22 -0.00 0.47 -1.23 0.00 0.00 174.94 174.40 3bg5 n ASP 672 N 2.89 4.10 -4.16 3.58 10.43 0.60 -4.38 116.55 129.62 3bg5 n ASP 672 Ca 0.05 -0.01 -0.32 0.00 2.57 0.00 0.00 54.79 57.08 3bg5 n ASP 672 Cb 0.46 0.43 -0.17 0.00 1.84 0.00 0.00 41.12 43.68 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 -2.08 1.98 -0.29 2.53 1.01 -0.12 -0.68 120.40 122.75 3bg5 s VAL 673 Ca -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3bg5 s VAL 673 Cb 0.01 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.67 3bg5 s VAL 673 CO 0.12 0.54 0.02 -0.36 0.00 0.00 0.00 175.10 175.42 3bg5 s PHE 674 N 0.74 3.17 -0.43 5.22 0.08 0.03 -1.41 117.98 125.38 3bg5 s PHE 674 Ca -0.09 -1.46 -0.26 0.00 0.12 0.00 0.00 56.93 55.23 3bg5 s PHE 674 Cb -0.16 -2.16 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 3bg5 s PHE 674 CO 0.00 -0.71 0.98 0.50 -0.10 0.00 0.00 175.22 175.89 3bg5 s ARG 675 N 1.37 3.70 -0.22 0.44 3.52 -0.24 -1.02 118.95 126.50 3bg5 s ARG 675 Ca -0.01 0.43 -0.08 0.00 -0.13 0.00 0.00 55.73 55.94 3bg5 s ARG 675 Cb -0.18 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 3bg5 s ARG 675 CO -0.01 -1.15 0.08 0.42 -0.81 0.00 0.00 175.30 173.84 3bg5 s ILE 676 N 3.80 4.67 0.03 4.11 1.01 0.15 -0.81 121.20 134.16 3bg5 s ILE 676 Ca 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3bg5 s ILE 676 Cb -0.10 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3bg5 s ILE 676 CO 0.24 0.38 -0.05 0.72 0.00 0.00 0.00 174.94 176.24 3bg5 s PHE 677 N 1.08 0.44 -0.03 3.97 -0.71 -1.13 -0.74 117.98 120.86 3bg5 s PHE 677 Ca 0.05 -0.60 0.07 0.00 -1.04 0.00 0.00 56.93 55.40 3bg5 s PHE 677 Cb -0.14 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.36 3bg5 s PHE 677 CO 0.03 -0.18 -0.22 0.34 -1.34 0.00 0.00 175.22 173.85 3bg5 s ASP 678 N -1.74 3.37 0.47 1.98 -1.08 -1.26 -0.82 116.67 117.59 3bg5 s ASP 678 Ca -0.10 -0.39 0.21 0.00 -0.52 0.00 0.00 52.55 51.75 3bg5 s ASP 678 Cb -0.07 -0.50 1.22 0.00 -1.46 0.00 0.00 42.92 42.11 3bg5 s ASP 678 CO -0.02 0.33 1.94 0.28 0.52 0.00 0.00 175.17 178.22 3bg5 h SER 679 N 5.42 0.21 -0.19 -0.34 0.02 -1.90 -2.10 113.55 114.67 3bg5 h SER 679 Ca -0.44 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3bg5 h SER 679 Cb 1.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3bg5 h SER 679 CO 0.48 0.11 0.00 0.18 -1.14 0.00 0.00 176.83 176.46 3bg5 n LEU 680 N -4.42 3.12 -3.10 5.07 4.77 -1.26 -4.44 117.00 116.74 3bg5 n LEU 680 Ca 0.14 -2.72 -0.23 0.00 -0.03 0.00 0.00 56.01 53.17 3bg5 n LEU 680 Cb 0.62 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3bg5 n LEU 680 CO 0.35 0.67 -0.00 0.59 -1.33 0.00 0.00 177.39 177.67 3bg5 n ASN 681 N -0.53 -5.73 -4.32 -1.43 3.02 -0.79 -4.20 115.26 101.28 3bg5 n ASN 681 Ca 0.16 -0.31 -0.46 0.00 -0.03 0.00 0.00 54.58 53.94 3bg5 n ASN 681 Cb 0.67 -4.63 -0.05 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.14 3.26 0.29 3.10 -0.00 -1.26 -4.94 118.94 116.25 3bg5 s TRP 682 Ca 0.33 -1.31 0.04 0.00 -0.00 0.00 0.00 56.10 55.16 3bg5 s TRP 682 Cb -0.15 -3.83 0.69 0.00 -0.00 0.00 0.00 33.47 30.18 3bg5 s TRP 682 CO 0.41 -1.06 1.74 0.28 -0.00 0.00 0.00 176.95 178.32 3bg5 h VAL 683 N 5.80 0.61 -0.98 5.86 2.07 -1.96 0.30 116.25 127.95 3bg5 h VAL 683 Ca -0.26 -0.20 0.25 0.00 0.82 0.00 0.00 66.70 67.31 3bg5 h VAL 683 Cb 1.09 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 3bg5 h VAL 683 CO 1.03 0.10 0.66 0.44 0.02 0.00 0.00 177.57 179.82 3bg5 h ASP 684 N 0.57 0.29 0.10 0.57 3.32 -2.01 0.50 116.42 119.76 3bg5 h ASP 684 Ca 0.55 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3bg5 h ASP 684 Cb 0.93 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3bg5 h ASP 684 CO -0.44 0.09 -0.03 1.67 -1.72 0.00 0.00 179.24 178.80 3bg5 n GLN 685 N -4.46 1.13 0.00 3.56 7.27 0.10 -3.65 117.38 121.33 3bg5 n GLN 685 Ca 0.22 -0.39 0.11 0.00 0.07 0.00 0.00 57.00 57.01 3bg5 n GLN 685 Cb 0.88 -1.49 -0.02 0.00 2.41 0.00 0.00 30.24 32.02 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 -0.60 1.17 -0.05 3.69 2.81 0.17 -4.21 117.12 120.09 3bg5 n MET 686 Ca 0.20 -0.89 -0.15 0.00 -1.81 0.00 0.00 57.70 55.04 3bg5 n MET 686 Cb 0.24 -1.46 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 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 2.17 0.63 0.03 0.03 1.57 -1.64 -2.45 116.57 116.91 3bg5 h LYS 687 Ca 0.00 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3bg5 h LYS 687 Cb 0.72 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3bg5 h LYS 687 CO 0.00 1.05 -0.01 0.28 -0.57 0.00 0.00 179.45 180.20 3bg5 h VAL 688 N 0.31 0.97 -0.69 0.50 2.07 -1.84 -0.46 116.25 117.12 3bg5 h VAL 688 Ca -0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3bg5 h VAL 688 Cb 1.07 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3bg5 h VAL 688 CO 0.10 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.10 3bg5 h ALA 689 N 0.93 0.92 -0.61 1.67 0.00 -1.84 -2.76 119.26 117.57 3bg5 h ALA 689 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3bg5 h ALA 689 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3bg5 h ALA 689 CO 0.01 0.13 0.36 -0.97 0.00 0.00 0.00 179.25 178.77 3bg5 h ASN 690 N 0.77 0.74 -0.61 0.00 -1.24 -0.92 -1.93 115.58 112.39 3bg5 h ASN 690 Ca 0.29 -0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.19 3bg5 h ASN 690 Cb 0.12 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 3bg5 h ASN 690 CO -0.15 0.60 0.23 -0.33 -1.29 0.00 0.00 177.43 176.48 3bg5 h GLU 691 N 0.83 0.93 -0.65 6.67 5.08 -0.88 -0.68 114.58 125.88 3bg5 h GLU 691 Ca 0.22 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3bg5 h GLU 691 Cb -0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3bg5 h GLU 691 CO -0.04 0.80 0.16 0.00 -1.00 0.00 0.00 179.01 178.93 3bg5 h ALA 692 N 1.08 1.06 -0.32 3.43 0.00 -1.32 -0.37 119.26 122.83 3bg5 h ALA 692 Ca 0.20 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3bg5 h ALA 692 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bg5 h ALA 692 CO -0.01 0.62 -0.38 0.28 0.00 0.00 0.00 179.25 179.76 3bg5 h VAL 693 N 0.97 1.29 -0.49 0.00 2.07 -1.00 -2.05 116.25 117.02 3bg5 h VAL 693 Ca 0.21 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.21 3bg5 h VAL 693 Cb 0.34 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3bg5 h VAL 693 CO -0.00 0.51 0.26 1.56 0.02 0.00 0.00 177.57 179.92 3bg5 h GLN 694 N 0.59 0.50 -0.32 1.57 1.08 -0.88 -2.11 115.11 115.55 3bg5 h GLN 694 Ca 0.04 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 3bg5 h GLN 694 Cb 0.97 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 3bg5 h GLN 694 CO 0.09 0.33 0.07 1.49 -0.95 0.00 0.00 178.83 179.86 3bg5 h GLU 695 N 0.52 0.46 0.00 1.46 4.81 -0.98 -1.88 114.58 118.97 3bg5 h GLU 695 Ca 0.21 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3bg5 h GLU 695 Cb 0.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3bg5 h GLU 695 CO -0.13 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.58 3bg5 n ALA 696 N -2.48 2.47 -3.15 2.92 0.00 -0.78 -4.90 120.51 114.59 3bg5 n ALA 696 Ca 0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 3bg5 n ALA 696 Cb 0.18 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.20 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 1.11 -0.19 3.50 0.00 0.00 -0.71 -5.01 105.19 103.89 3bg5 n GLY 697 Ca 0.16 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3bg5 n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bg5 s LYS 698 N -5.78 1.73 -0.00 1.61 -0.14 -0.99 -4.57 119.74 111.59 3bg5 s LYS 698 Ca 0.37 -1.90 -0.30 0.00 -1.36 0.00 0.00 55.97 52.78 3bg5 s LYS 698 Cb -0.16 -1.45 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 3bg5 s LYS 698 CO 0.45 0.07 1.12 0.42 -0.76 0.00 0.00 175.35 176.65 3bg5 s ILE 699 N -2.80 4.40 -0.29 2.17 1.01 0.14 -4.49 121.20 121.33 3bg5 s ILE 699 Ca 0.32 1.72 -0.05 0.00 0.00 0.00 0.00 60.65 62.64 3bg5 s ILE 699 Cb 0.04 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.43 3bg5 s ILE 699 CO 0.15 0.08 0.04 -0.55 0.00 0.00 0.00 174.94 174.66 3bg5 s SER 700 N 1.16 4.92 -0.38 3.58 0.15 -1.26 -0.79 113.70 121.07 3bg5 s SER 700 Ca 0.55 -0.87 -0.16 0.00 0.70 0.00 0.00 55.95 56.17 3bg5 s SER 700 Cb -0.25 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.26 3bg5 s SER 700 CO 0.26 -0.20 0.36 -1.61 1.20 0.00 0.00 173.24 173.25 3bg5 s GLU 701 N 1.41 3.28 -0.15 5.44 2.02 -0.18 -1.30 118.70 129.22 3bg5 s GLU 701 Ca 0.00 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 3bg5 s GLU 701 Cb -0.18 -3.90 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 3bg5 s GLU 701 CO 0.00 -0.67 0.87 0.20 0.02 0.00 0.00 175.26 175.68 3bg5 s GLY 702 N 1.75 2.18 -0.10 -1.39 0.00 -0.52 0.34 107.32 109.58 3bg5 s GLY 702 Ca 0.10 0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.92 3bg5 s GLY 702 CO 0.12 1.71 0.01 -1.59 0.00 0.00 0.00 173.10 173.35 3bg5 s THR 703 N 2.06 4.38 -0.22 0.90 2.01 0.08 -1.17 115.64 123.68 3bg5 s THR 703 Ca 0.41 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 3bg5 s THR 703 Cb -0.17 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 3bg5 s THR 703 CO 0.14 0.59 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.00 3bg5 s ILE 704 N -0.68 3.63 0.11 1.82 1.01 -0.15 -4.67 121.20 122.28 3bg5 s ILE 704 Ca 0.11 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.08 3bg5 s ILE 704 Cb -0.12 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 3bg5 s ILE 704 CO 0.02 0.41 0.84 0.00 0.00 0.00 0.00 174.94 176.21 3bg5 s TYR 706 N -0.43 3.38 0.31 0.00 5.04 -0.59 -4.93 117.35 120.13 3bg5 s TYR 706 Ca 0.40 0.37 0.03 0.00 -2.44 0.00 0.00 57.07 55.43 3bg5 s TYR 706 Cb -0.22 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 3bg5 s TYR 706 CO 0.26 0.17 0.11 0.95 -1.34 0.00 0.00 175.55 175.71 3bg5 s THR 707 N 0.73 0.61 0.00 4.34 -4.23 -1.26 -4.65 115.64 111.18 3bg5 s THR 707 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3bg5 s THR 707 Cb -0.13 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.13 3bg5 s THR 707 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3bg5 n GLY 708 N -0.62 0.51 3.15 3.99 0.00 -1.26 -4.82 105.19 106.15 3bg5 n GLY 708 Ca -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.56 0.37 1.61 3.68 -1.26 -4.86 116.67 110.65 3bg5 s ASP 709 Ca 0.00 0.17 0.27 0.00 2.13 0.00 0.00 52.55 55.12 3bg5 s ASP 709 Cb 0.00 1.99 1.29 0.00 -1.45 0.00 0.00 42.92 44.74 3bg5 s ASP 709 CO 0.00 -0.28 1.82 0.16 0.13 0.00 0.00 175.17 176.99 3bg5 h ILE 710 N 5.89 0.00 0.00 4.11 3.07 -1.88 -1.40 117.51 127.30 3bg5 h ILE 710 Ca -0.01 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.24 3bg5 h ILE 710 Cb 1.19 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 3bg5 h ILE 710 CO 0.13 0.00 0.00 -0.07 -1.05 0.00 0.00 178.15 177.16 3bg5 h LEU 711 N 0.00 0.00 -7.94 0.16 3.38 -1.95 -3.42 115.31 105.53 3bg5 h LEU 711 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3bg5 h LEU 711 Cb 0.21 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.62 3bg5 h LEU 711 CO 0.00 0.00 -0.69 0.21 0.09 0.00 0.00 178.44 178.05 3bg5 s ASN 712 N -5.95 4.88 0.09 -0.43 3.84 -0.53 -4.96 114.94 111.89 3bg5 s ASN 712 Ca 0.05 -1.50 0.20 0.00 0.21 0.00 0.00 52.86 51.81 3bg5 s ASN 712 Cb 0.07 -1.70 0.81 0.00 -0.55 0.00 0.00 41.25 39.88 3bg5 s ASN 712 CO 0.62 -0.31 1.61 -0.81 -2.79 0.00 0.00 177.10 175.42 3bg5 n PRO 713 N 4.55 0.08 0.05 0.43 -0.04 -1.26 -2.19 135.00 136.62 3bg5 n PRO 713 Ca -0.10 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 3bg5 n PRO 713 Cb 0.43 -1.63 0.15 0.00 -0.04 0.00 0.00 33.50 32.40 3bg5 n PRO 713 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3bg5 n GLU 714 N -1.78 0.29 -0.04 0.54 2.13 -1.26 -4.24 120.64 116.28 3bg5 n GLU 714 Ca 0.04 0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.79 3bg5 n GLU 714 Cb 0.22 -1.67 -0.09 0.00 0.27 0.00 0.00 31.44 30.17 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 0.20 -2.17 5.31 9.65 -1.75 -3.46 114.38 122.16 3bg5 h ARG 715 Ca 0.00 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 3bg5 h ARG 715 Cb 0.74 0.02 -0.22 0.00 -1.39 0.00 0.00 29.97 29.12 3bg5 h ARG 715 CO 0.00 0.72 0.01 0.45 2.80 0.00 0.00 179.97 183.95 3bg5 s SER 716 N -6.06 -0.74 0.45 -3.80 0.15 -1.26 -4.99 113.70 97.44 3bg5 s SER 716 Ca -0.15 1.33 0.19 0.00 0.70 0.00 0.00 55.95 58.02 3bg5 s SER 716 Cb 0.03 1.29 1.06 0.00 -1.71 0.00 0.00 66.02 66.69 3bg5 s SER 716 CO 0.73 -0.23 1.95 0.78 1.20 0.00 0.00 173.24 177.67 3bg5 h ASN 717 N 5.85 0.00 0.00 5.45 2.35 -1.90 -3.40 115.58 123.93 3bg5 h ASN 717 Ca -0.30 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.26 3bg5 h ASN 717 Cb 1.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 3bg5 h ASN 717 CO 0.13 0.23 -1.41 -0.38 -1.65 0.00 0.00 177.43 174.35 3bg5 n ILE 717 N -3.90 1.50 -1.63 2.81 2.08 -1.26 -4.59 119.36 114.36 3bg5 n ILE 717 Ca -0.02 -0.04 -0.39 0.00 0.56 0.00 0.00 62.75 62.86 3bg5 n ILE 717 Cb 0.32 -2.15 -0.02 0.00 -0.75 0.00 0.00 39.64 37.04 3bg5 n ILE 717 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3bg5 n TYR 718 N -4.43 2.51 -2.50 1.39 4.02 -1.26 -4.61 117.16 112.28 3bg5 n TYR 718 Ca -0.29 -2.97 -0.22 0.00 -0.01 0.00 0.00 57.90 54.41 3bg5 n TYR 718 Cb 0.61 -2.19 0.12 0.00 -0.02 0.00 0.00 39.34 37.86 3bg5 n TYR 718 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3bg5 n THR 719 N 2.71 0.00 -0.21 -0.72 -2.24 -1.26 -4.55 114.28 108.01 3bg5 n THR 719 Ca 0.71 -1.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.03 3bg5 n THR 719 Cb 0.24 -1.00 0.03 0.00 -2.10 0.00 0.00 70.33 67.50 3bg5 n THR 719 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3bg5 h LEU 720 N 0.00 0.77 -1.06 3.22 5.85 -1.90 -2.85 115.31 119.34 3bg5 h LEU 720 Ca -0.32 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3bg5 h LEU 720 Cb 1.13 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3bg5 h LEU 720 CO 0.32 0.66 -0.00 1.05 -0.34 0.00 0.00 178.44 180.14 3bg5 h GLU 721 N 0.82 0.00 -0.39 1.25 4.11 -1.95 -1.68 114.58 116.74 3bg5 h GLU 721 Ca 0.21 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.59 3bg5 h GLU 721 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3bg5 h GLU 721 CO -0.03 0.00 0.04 -0.92 0.07 0.00 0.00 179.01 178.17 3bg5 h TYR 722 N 0.00 0.71 -0.14 2.06 3.20 -1.76 -1.27 116.97 119.77 3bg5 h TYR 722 Ca -0.00 -0.11 -0.17 0.00 3.14 0.00 0.00 58.73 61.59 3bg5 h TYR 722 Cb 0.65 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3bg5 h TYR 722 CO 0.00 0.72 -0.61 1.88 -1.64 0.00 0.00 178.16 178.51 3bg5 h TYR 723 N 0.51 0.64 -0.37 -3.82 -1.99 -1.33 -2.49 116.97 108.11 3bg5 h TYR 723 Ca 0.12 -0.24 -0.04 0.00 2.00 0.00 0.00 58.73 60.56 3bg5 h TYR 723 Cb 0.40 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3bg5 h TYR 723 CO 0.03 0.98 0.06 0.28 -0.00 0.00 0.00 178.16 179.51 3bg5 h VAL 724 N 0.37 1.24 0.20 -2.88 2.07 -1.30 -0.87 116.25 115.08 3bg5 h VAL 724 Ca -0.01 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3bg5 h VAL 724 Cb 1.16 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3bg5 h VAL 724 CO 0.11 0.29 -0.17 0.50 0.02 0.00 0.00 177.57 178.32 3bg5 h LYS 725 N 0.46 -0.38 -1.01 1.57 3.64 -1.19 -1.44 116.57 118.23 3bg5 h LYS 725 Ca 0.11 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3bg5 h LYS 725 Cb 0.36 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 3bg5 h LYS 725 CO 0.01 -0.25 0.65 1.25 -2.27 0.00 0.00 179.45 178.83 3bg5 h LEU 726 N -0.39 1.01 0.34 5.20 5.85 -1.44 -1.03 115.31 124.86 3bg5 h LEU 726 Ca -0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3bg5 h LEU 726 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3bg5 h LEU 726 CO -0.03 0.62 -0.16 0.00 -0.34 0.00 0.00 178.44 178.53 3bg5 h ALA 727 N 1.48 -0.46 -0.97 1.25 0.00 -0.82 -0.02 119.26 119.71 3bg5 h ALA 727 Ca 0.45 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.38 3bg5 h ALA 727 Cb 0.26 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3bg5 h ALA 727 CO -0.20 -0.66 0.61 0.87 0.00 0.00 0.00 179.25 179.88 3bg5 h LYS 728 N -0.66 0.69 -0.27 0.00 1.57 -1.02 0.11 116.57 116.99 3bg5 h LYS 728 Ca -0.05 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3bg5 h LYS 728 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3bg5 h LYS 728 CO 0.08 0.46 0.02 1.49 -0.57 0.00 0.00 179.45 180.93 3bg5 h GLU 729 N 0.71 0.46 -0.26 3.15 4.81 -1.02 -1.15 114.58 121.28 3bg5 h GLU 729 Ca 0.53 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3bg5 h GLU 729 Cb 0.88 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3bg5 h GLU 729 CO -0.30 0.60 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.35 3bg5 h LEU 730 N 0.26 0.44 -0.62 1.64 3.38 0.29 -1.84 115.31 118.86 3bg5 h LEU 730 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3bg5 h LEU 730 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3bg5 h LEU 730 CO 0.01 0.63 0.35 -0.08 0.09 0.00 0.00 178.44 179.44 3bg5 h GLU 731 N 0.42 0.85 -0.30 1.13 4.81 -0.72 -2.94 114.58 117.82 3bg5 h GLU 731 Ca 0.07 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3bg5 h GLU 731 Cb 0.53 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3bg5 h GLU 731 CO 0.03 0.63 0.13 0.00 -0.73 0.00 0.00 179.01 179.08 3bg5 h ARG 732 N 0.83 0.42 0.00 1.92 3.08 -0.40 -1.44 114.38 118.79 3bg5 h ARG 732 Ca 0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3bg5 h ARG 732 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3bg5 h ARG 732 CO -0.04 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 179.59 3bg5 n GLU 733 N -4.42 0.07 -0.38 0.04 -0.58 -0.88 -4.91 120.64 109.58 3bg5 n GLU 733 Ca 0.01 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3bg5 n GLU 733 Cb 0.12 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3bg5 n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg5 n GLY 734 N 0.64 0.95 3.76 0.62 0.00 -0.54 -5.04 105.19 105.58 3bg5 n GLY 734 Ca 0.05 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 2.95 0.14 1.61 0.40 -1.17 -4.93 117.98 114.97 3bg5 s PHE 735 Ca 0.00 1.23 0.02 0.00 -0.60 0.00 0.00 56.93 57.58 3bg5 s PHE 735 Cb 0.00 -3.80 -0.11 0.00 0.51 0.00 0.00 43.02 39.62 3bg5 s PHE 735 CO 0.00 -2.37 1.31 0.45 0.70 0.00 0.00 175.22 175.31 3bg5 h HIS 736 N 3.90 0.25 -3.98 0.36 3.86 -1.56 -3.45 115.15 114.53 3bg5 h HIS 736 Ca -0.48 -0.16 -0.36 0.00 -1.16 0.00 0.00 60.37 58.21 3bg5 h HIS 736 Cb 1.23 -0.02 -0.28 0.00 1.06 0.00 0.00 27.41 29.40 3bg5 h HIS 736 CO 0.57 1.04 -0.77 0.42 0.86 0.00 0.00 177.93 180.05 3bg5 s ILE 737 N -2.97 0.59 -0.17 2.45 1.01 -1.15 -4.41 121.20 116.55 3bg5 s ILE 737 Ca -0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 3bg5 s ILE 737 Cb 0.09 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3bg5 s ILE 737 CO 0.84 0.12 0.39 -0.22 0.00 0.00 0.00 174.94 176.07 3bg5 s LEU 738 N -0.31 4.20 -0.09 2.97 2.96 -0.64 -1.44 118.68 126.33 3bg5 s LEU 738 Ca 0.02 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3bg5 s LEU 738 Cb -0.04 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3bg5 s LEU 738 CO -0.00 -0.02 -0.10 0.00 -1.32 0.00 0.00 176.35 174.91 3bg5 s ALA 739 N 0.97 2.83 -0.32 5.97 0.00 -0.32 0.10 121.76 131.00 3bg5 s ALA 739 Ca 0.20 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 3bg5 s ALA 739 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3bg5 s ALA 739 CO 0.07 0.46 0.22 0.42 0.00 0.00 0.00 175.76 176.94 3bg5 s ILE 740 N -0.41 5.28 -0.39 0.00 -1.09 0.00 -0.98 121.20 123.62 3bg5 s ILE 740 Ca 0.05 -0.11 -0.12 0.00 -2.23 0.00 0.00 60.65 58.25 3bg5 s ILE 740 Cb -0.12 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3bg5 s ILE 740 CO 0.02 0.07 0.24 -0.75 -1.23 0.00 0.00 174.94 173.29 3bg5 s LYS 741 N 1.73 2.88 -1.05 2.79 2.20 0.44 -0.91 119.74 127.82 3bg5 s LYS 741 Ca 0.06 -1.06 -0.06 0.00 -0.36 0.00 0.00 55.97 54.55 3bg5 s LYS 741 Cb -0.17 -3.82 0.27 0.00 -1.51 0.00 0.00 37.83 32.60 3bg5 s LYS 741 CO 0.11 -0.72 1.06 -3.47 -0.36 0.00 0.00 175.35 171.97 3bg5 n ASP 742 N 5.05 5.22 0.21 1.43 2.03 0.66 -1.55 116.55 129.61 3bg5 n ASP 742 Ca -0.11 -3.11 0.05 0.00 0.52 0.00 0.00 54.79 52.13 3bg5 n ASP 742 Cb 0.46 -1.26 0.47 0.00 -0.72 0.00 0.00 41.12 40.07 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 6.29 0.00 -0.48 -0.67 -0.00 -1.83 -2.56 114.93 115.67 3bg5 h MET 743 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 3bg5 h MET 743 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.42 3bg5 h MET 743 CO 1.00 0.25 0.00 0.00 -0.00 0.00 0.00 176.91 178.16 3bg5 n ALA 744 N -2.47 2.31 -3.59 -3.00 0.00 -1.26 -1.82 120.51 110.68 3bg5 n ALA 744 Ca -0.02 -1.14 -0.25 0.00 0.00 0.00 0.00 53.44 52.03 3bg5 n ALA 744 Cb 0.31 -0.68 0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 1.11 -0.54 0.16 0.00 0.00 -0.97 -4.85 105.19 100.11 3bg5 n GLY 745 Ca 0.17 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.89 0.97 -4.55 0.99 4.77 -1.26 -4.66 117.00 108.37 3bg5 n LEU 746 Ca 0.00 -0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 55.33 3bg5 n LEU 746 Cb 0.56 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3bg5 n LEU 746 CO 0.65 0.20 1.32 -0.22 -1.33 0.00 0.00 177.39 178.01 3bg5 s LEU 747 N -2.72 3.26 0.55 2.23 2.96 -1.26 -4.91 118.68 118.79 3bg5 s LEU 747 Ca 0.17 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 3bg5 s LEU 747 Cb 0.18 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.26 3bg5 s LEU 747 CO 0.63 -1.90 1.14 -0.54 -1.32 0.00 0.00 176.35 174.36 3bg5 s LYS 748 N 5.83 3.31 0.20 1.98 1.02 -1.26 -4.71 119.74 126.10 3bg5 s LYS 748 Ca 0.45 1.63 -0.20 0.00 0.02 0.00 0.00 55.97 57.87 3bg5 s LYS 748 Cb -0.07 -2.00 0.15 0.00 -0.52 0.00 0.00 37.83 35.40 3bg5 s LYS 748 CO 0.09 -0.89 1.58 -1.35 -0.92 0.00 0.00 175.35 173.86 3bg5 h PRO 749 N 1.15 -0.12 -0.59 -1.68 0.11 -1.87 0.14 132.00 129.14 3bg5 h PRO 749 Ca -0.50 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3bg5 h PRO 749 Cb 1.27 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3bg5 h PRO 749 CO 0.57 -0.08 0.03 -0.22 -0.21 0.00 0.00 178.00 178.09 3bg5 h LYS 750 N -0.12 1.02 -0.71 1.05 3.11 -1.93 -2.38 116.57 116.61 3bg5 h LYS 750 Ca 0.26 -0.31 0.12 0.00 -2.81 0.00 0.00 60.65 57.91 3bg5 h LYS 750 Cb 0.56 -0.10 -0.08 0.00 -1.00 0.00 0.00 32.23 31.61 3bg5 h LYS 750 CO -0.75 1.00 0.29 0.00 -2.81 0.00 0.00 179.45 177.18 3bg5 h ALA 751 N 0.99 0.97 0.35 5.00 0.00 -1.46 -1.18 119.26 123.92 3bg5 h ALA 751 Ca 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3bg5 h ALA 751 Cb 0.52 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3bg5 h ALA 751 CO 0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 179.25 178.86 3bg5 h ALA 752 N 1.49 -0.57 -0.72 0.00 0.00 -0.33 0.20 119.26 119.33 3bg5 h ALA 752 Ca 0.37 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.32 3bg5 h ALA 752 Cb 0.51 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 3bg5 h ALA 752 CO -0.35 -0.84 0.25 -0.92 0.00 0.00 0.00 179.25 177.39 3bg5 h TYR 753 N -0.58 0.41 -0.29 0.00 3.20 -1.06 -0.44 116.97 118.21 3bg5 h TYR 753 Ca -0.03 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 3bg5 h TYR 753 Cb 0.49 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3bg5 h TYR 753 CO -0.11 0.02 -0.41 0.93 -1.64 0.00 0.00 178.16 176.95 3bg5 h GLU 754 N 0.38 0.80 -0.02 1.82 5.08 -0.90 -2.20 114.58 119.53 3bg5 h GLU 754 Ca 0.40 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3bg5 h GLU 754 Cb 0.62 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3bg5 h GLU 754 CO -0.42 1.10 -0.03 1.25 -1.00 0.00 0.00 179.01 179.90 3bg5 h LEU 755 N 0.56 0.07 -0.75 1.33 5.85 -0.06 -1.97 115.31 120.33 3bg5 h LEU 755 Ca 0.03 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3bg5 h LEU 755 Cb 1.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3bg5 h LEU 755 CO 0.10 0.58 -0.26 0.40 -0.34 0.00 0.00 178.44 178.91 3bg5 h ILE 756 N -0.44 1.27 -0.09 4.05 2.04 -1.21 0.04 117.51 123.18 3bg5 h ILE 756 Ca 0.00 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.52 3bg5 h ILE 756 Cb 0.56 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3bg5 h ILE 756 CO 0.01 0.44 -0.01 1.23 0.00 0.00 0.00 178.15 179.82 3bg5 h GLY 757 N 0.99 0.08 0.95 5.37 0.00 -1.44 -0.52 103.07 108.49 3bg5 h GLY 757 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3bg5 h GLY 757 CO 0.06 -0.02 0.16 0.83 0.00 0.00 0.00 176.54 177.57 3bg5 h GLU 758 N 0.02 0.63 -0.67 4.80 4.39 -1.16 -3.08 114.58 119.51 3bg5 h GLU 758 Ca 0.04 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3bg5 h GLU 758 Cb 0.05 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3bg5 h GLU 758 CO -0.08 0.59 0.22 -0.07 -1.16 0.00 0.00 179.01 178.52 3bg5 h LEU 759 N 0.53 0.97 -0.75 1.33 3.38 -0.85 -0.27 115.31 119.64 3bg5 h LEU 759 Ca 0.14 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.06 3bg5 h LEU 759 Cb 0.21 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 3bg5 h LEU 759 CO -0.01 0.92 0.26 0.11 0.09 0.00 0.00 178.44 179.80 3bg5 h LYS 760 N 0.98 0.36 0.72 1.13 1.79 -1.10 -0.46 116.57 119.98 3bg5 h LYS 760 Ca 0.22 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 3bg5 h LYS 760 Cb 0.28 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3bg5 h LYS 760 CO -0.01 0.24 -0.35 0.77 -1.08 0.00 0.00 179.45 179.02 3bg5 h SER 761 N 0.37 -0.82 -0.39 0.86 0.02 -1.32 -3.35 113.55 108.91 3bg5 h SER 761 Ca 0.42 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.47 3bg5 h SER 761 Cb 0.69 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 3bg5 h SER 761 CO -0.45 -0.59 0.05 0.00 -1.14 0.00 0.00 176.83 174.71 3bg5 h ALA 762 N -0.67 0.41 -2.07 3.77 0.00 0.05 -3.45 119.26 117.30 3bg5 h ALA 762 Ca -0.10 0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.43 3bg5 h ALA 762 Cb 0.74 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 3bg5 h ALA 762 CO 0.16 -0.35 -0.65 0.14 0.00 0.00 0.00 179.25 178.56 3bg5 s VAL 763 N -6.17 1.39 -1.17 0.00 -7.23 -0.29 -4.86 120.40 102.08 3bg5 s VAL 763 Ca -0.13 -2.06 0.18 0.00 -1.81 0.00 0.00 61.98 58.16 3bg5 s VAL 763 Cb 0.13 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.38 3bg5 s VAL 763 CO 0.71 -0.19 0.84 0.47 -0.31 0.00 0.00 175.10 176.61 3bg5 n ASP 765 N -0.60 1.20 -4.74 4.85 10.43 -1.26 -4.62 116.55 121.80 3bg5 n ASP 765 Ca -0.04 -1.10 -0.39 0.00 2.57 0.00 0.00 54.79 55.83 3bg5 n ASP 765 Cb 0.65 0.81 0.03 0.00 1.84 0.00 0.00 41.12 44.45 3bg5 n ASP 765 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3bg5 n LEU 766 N -0.94 5.26 -4.75 0.64 4.32 -1.26 -5.00 117.00 115.27 3bg5 n LEU 766 Ca 0.05 1.02 -0.34 0.00 -0.02 0.00 0.00 56.01 56.71 3bg5 n LEU 766 Cb 0.32 -1.57 0.05 0.00 -1.62 0.00 0.00 43.42 40.60 3bg5 n LEU 766 CO 0.32 -0.51 0.79 -2.16 -1.22 0.00 0.00 177.39 174.61 3bg5 s PRO 767 N -2.72 2.72 -0.14 3.23 0.04 -1.26 -4.80 135.00 132.07 3bg5 s PRO 767 Ca 0.68 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 63.35 3bg5 s PRO 767 Cb -0.43 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3bg5 s PRO 767 CO 0.52 -1.36 -0.05 0.42 0.04 0.00 0.00 177.00 176.57 3bg5 s ILE 768 N -1.95 3.76 -0.30 0.56 1.01 -1.26 -1.62 121.20 121.40 3bg5 s ILE 768 Ca 0.73 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 3bg5 s ILE 768 Cb -0.26 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.63 3bg5 s ILE 768 CO 0.38 0.51 0.01 -2.28 0.00 0.00 0.00 174.94 173.56 3bg5 s HIS 769 N 0.25 3.28 -0.12 3.97 2.46 0.29 -2.22 115.29 123.20 3bg5 s HIS 769 Ca -0.04 -1.90 -0.11 0.00 0.47 0.00 0.00 55.06 53.48 3bg5 s HIS 769 Cb -0.14 -2.15 -0.05 0.00 -0.13 0.00 0.00 32.58 30.11 3bg5 s HIS 769 CO 0.03 -0.81 0.24 -1.17 -2.47 0.00 0.00 174.74 170.57 3bg5 s LEU 770 N 1.25 4.33 -0.07 8.88 2.96 -0.48 -0.82 118.68 134.73 3bg5 s LEU 770 Ca -0.05 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3bg5 s LEU 770 Cb -0.20 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.24 3bg5 s LEU 770 CO -0.01 0.25 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.94 3bg5 s HIS 771 N -0.32 1.00 0.25 5.38 5.65 -0.09 -1.61 115.29 125.55 3bg5 s HIS 771 Ca 0.16 -0.37 0.01 0.00 0.25 0.00 0.00 55.06 55.11 3bg5 s HIS 771 Cb -0.13 -0.90 -0.04 0.00 -1.18 0.00 0.00 32.58 30.33 3bg5 s HIS 771 CO 0.05 -0.33 0.16 -0.08 -0.65 0.00 0.00 174.74 173.89 3bg5 s THR 772 N 1.41 0.10 0.11 0.89 -1.32 -1.26 -0.25 115.64 115.33 3bg5 s THR 772 Ca -0.03 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.54 3bg5 s THR 772 Cb -0.13 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 3bg5 s THR 772 CO -0.03 0.00 -0.17 -1.00 -2.21 0.00 0.00 174.62 171.21 3bg5 s HIS 773 N -3.90 2.56 -0.39 9.09 3.76 -1.22 -4.46 115.29 120.73 3bg5 s HIS 773 Ca 0.39 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 55.12 3bg5 s HIS 773 Cb 0.06 -1.36 0.71 0.00 1.11 0.00 0.00 32.58 33.10 3bg5 s HIS 773 CO 0.16 0.39 1.86 -3.47 -0.85 0.00 0.00 174.74 172.83 3bg5 n ASP 774 N 0.80 4.25 0.26 1.40 4.64 -0.04 -4.35 116.55 123.51 3bg5 n ASP 774 Ca -0.15 -3.43 0.14 0.00 -1.38 0.00 0.00 54.79 49.96 3bg5 n ASP 774 Cb 0.53 -0.79 0.63 0.00 -1.04 0.00 0.00 41.12 40.45 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 1.81 0.31 0.00 5.18 1.03 -1.07 0.24 112.91 120.41 3bg5 h THR 775 Ca 0.45 -0.73 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 3bg5 h THR 775 Cb 2.59 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 71.23 3bg5 h THR 775 CO 0.92 0.11 -0.42 -1.54 -0.01 0.00 0.00 175.52 174.57 3bg5 n SER 776 N -3.30 0.63 0.00 0.00 3.41 -1.26 -1.17 113.62 111.94 3bg5 n SER 776 Ca -0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3bg5 n SER 776 Cb 0.33 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.37 1.28 1.70 5.00 0.00 0.07 -4.49 105.19 110.13 3bg5 n GLY 777 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 5.23 0.08 1.61 5.03 -1.26 -4.71 115.26 121.23 3bg5 n ASN 778 Ca 0.00 -2.74 -0.13 0.00 0.87 0.00 0.00 54.58 52.58 3bg5 n ASN 778 Cb 0.00 -0.63 -0.08 0.00 -1.02 0.00 0.00 39.78 38.05 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 3.87 -0.15 0.70 7.41 0.00 -1.83 -1.53 103.07 111.55 3bg5 h GLY 779 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.45 3bg5 h GLY 779 CO 0.37 -0.05 0.56 1.41 0.00 0.00 0.00 176.54 178.83 3bg5 h LEU 780 N -0.25 0.88 -0.12 3.11 3.38 -1.96 0.22 115.31 120.57 3bg5 h LEU 780 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3bg5 h LEU 780 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bg5 h LEU 780 CO 0.02 0.56 0.05 -0.07 0.09 0.00 0.00 178.44 179.08 3bg5 h LEU 781 N 1.01 0.06 -0.59 1.67 4.07 -1.83 0.16 115.31 119.86 3bg5 h LEU 781 Ca 0.40 0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.47 3bg5 h LEU 781 Cb 0.19 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.85 3bg5 h LEU 781 CO -0.18 0.05 0.14 0.74 -1.08 0.00 0.00 178.44 178.11 3bg5 h THR 782 N 0.11 0.67 0.20 0.22 2.02 -0.52 -0.32 112.91 115.29 3bg5 h THR 782 Ca 0.05 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3bg5 h THR 782 Cb 0.02 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3bg5 h THR 782 CO -0.04 0.05 -0.10 1.88 0.37 0.00 0.00 175.52 177.68 3bg5 h TYR 783 N 0.28 -0.25 -0.54 3.16 0.99 -0.53 -0.63 116.97 119.46 3bg5 h TYR 783 Ca 0.31 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.12 3bg5 h TYR 783 Cb 0.44 0.08 -0.07 0.00 1.00 0.00 0.00 36.73 38.18 3bg5 h TYR 783 CO -0.23 -0.08 0.14 -0.22 -0.00 0.00 0.00 178.16 177.77 3bg5 h LYS 784 N -0.36 0.28 -0.50 4.88 3.11 -0.27 0.47 116.57 124.17 3bg5 h LYS 784 Ca -0.03 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 3bg5 h LYS 784 Cb 0.28 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 3bg5 h LYS 784 CO 0.05 0.18 0.22 1.96 -2.81 0.00 0.00 179.45 179.05 3bg5 h GLN 785 N 0.29 0.73 -0.79 1.90 1.08 -1.00 -1.01 115.11 116.31 3bg5 h GLN 785 Ca 0.27 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3bg5 h GLN 785 Cb 0.36 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 3bg5 h GLN 785 CO -0.33 0.63 0.51 0.00 -0.95 0.00 0.00 178.83 178.69 3bg5 h ALA 786 N 1.06 1.01 -0.96 3.87 0.00 0.03 -1.67 119.26 122.60 3bg5 h ALA 786 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3bg5 h ALA 786 Cb 0.16 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3bg5 h ALA 786 CO -0.02 0.44 0.61 0.82 0.00 0.00 0.00 179.25 181.11 3bg5 h ILE 787 N 1.08 1.10 -0.37 0.00 2.04 0.22 -1.58 117.51 120.00 3bg5 h ILE 787 Ca 0.29 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3bg5 h ILE 787 Cb -0.09 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 35.83 3bg5 h ILE 787 CO -0.06 0.21 0.03 0.44 0.00 0.00 0.00 178.15 178.77 3bg5 h ASP 788 N 1.14 0.53 0.10 1.72 3.32 -0.32 -2.77 116.42 120.13 3bg5 h ASP 788 Ca 0.40 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3bg5 h ASP 788 Cb 0.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3bg5 h ASP 788 CO -0.16 0.58 -0.02 0.00 -1.72 0.00 0.00 179.24 177.92 3bg5 n ALA 789 N -2.48 2.66 0.00 3.45 0.00 -0.74 -4.90 120.51 118.51 3bg5 n ALA 789 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3bg5 n ALA 789 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.11 1.19 3.66 0.00 0.00 -0.95 -4.18 105.19 106.01 3bg5 n GLY 790 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.56 2.99 -0.11 1.61 3.14 -0.66 -4.92 118.33 118.82 3bg5 n VAL 791 Ca 0.00 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.64 3bg5 n VAL 791 Cb 0.00 -1.35 -0.11 0.00 -1.06 0.00 0.00 33.84 31.32 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 -0.12 1.88 -4.10 6.55 8.00 -0.94 -4.84 116.55 122.98 3bg5 n ASP 792 Ca 0.10 0.40 -0.16 0.00 0.71 0.00 0.00 54.79 55.84 3bg5 n ASP 792 Cb 0.42 -0.93 -0.12 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 -2.40 0.78 0.06 0.53 1.01 -1.00 -1.92 121.20 118.26 3bg5 s ILE 793 Ca -0.31 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.30 3bg5 s ILE 793 Cb 0.08 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 3bg5 s ILE 793 CO 0.56 -0.25 -0.10 0.27 0.00 0.00 0.00 174.94 175.43 3bg5 s ILE 794 N -1.18 0.79 -0.32 2.92 -4.36 -0.77 -1.38 121.20 116.90 3bg5 s ILE 794 Ca -0.05 -1.25 -0.19 0.00 -0.26 0.00 0.00 60.65 58.90 3bg5 s ILE 794 Cb -0.09 -0.89 -0.01 0.00 1.25 0.00 0.00 42.46 42.73 3bg5 s ILE 794 CO 0.01 -0.36 0.59 -1.81 0.24 0.00 0.00 174.94 173.61 3bg5 s ASP 795 N -1.78 6.43 0.34 4.36 1.11 -0.63 -0.65 116.67 125.85 3bg5 s ASP 795 Ca -0.05 0.26 0.05 0.00 0.18 0.00 0.00 52.55 53.00 3bg5 s ASP 795 Cb -0.09 -2.31 -0.07 0.00 1.07 0.00 0.00 42.92 41.53 3bg5 s ASP 795 CO 0.01 -0.48 0.03 0.42 1.18 0.00 0.00 175.17 176.32 3bg5 s THR 796 N 2.55 1.50 0.04 -1.27 -4.23 0.50 -4.57 115.64 110.16 3bg5 s THR 796 Ca 0.23 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 3bg5 s THR 796 Cb -0.15 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 3bg5 s THR 796 CO 0.13 -0.04 -0.09 0.00 -0.54 0.00 0.00 174.62 174.08 3bg5 s ALA 797 N -3.08 0.66 0.33 3.99 0.00 -1.03 -0.73 121.76 121.89 3bg5 s ALA 797 Ca 0.35 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 3bg5 s ALA 797 Cb 0.08 0.01 -0.13 0.00 0.00 0.00 0.00 23.12 23.08 3bg5 s ALA 797 CO 0.16 0.02 1.04 0.28 0.00 0.00 0.00 175.76 177.26 3bg5 n VAL 798 N 1.57 2.07 -0.22 0.00 0.31 -1.26 -1.07 118.33 119.73 3bg5 n VAL 798 Ca -0.22 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.61 3bg5 n VAL 798 Cb 0.55 -1.11 0.07 0.00 -0.91 0.00 0.00 33.84 32.44 3bg5 n VAL 798 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bg5 h ALA 799 N 1.95 0.45 0.00 3.52 0.00 -1.93 -0.27 119.26 122.98 3bg5 h ALA 799 Ca -0.41 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3bg5 h ALA 799 Cb 1.33 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3bg5 h ALA 799 CO 0.60 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 3bg5 n SER 800 N -5.43 0.00 -0.57 0.00 3.41 -1.26 -1.90 113.62 107.87 3bg5 n SER 800 Ca 0.08 0.39 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 3bg5 n SER 800 Cb 0.34 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.44 1.14 -4.72 4.33 2.00 -0.14 -4.75 117.12 113.53 3bg5 n MET 801 Ca 0.04 -2.71 -0.32 0.00 0.00 0.00 0.00 57.70 54.71 3bg5 n MET 801 Cb 0.15 -1.26 -0.08 0.00 0.00 0.00 0.00 33.22 32.04 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 -2.77 3.90 0.14 7.83 1.04 -0.80 -4.74 113.70 118.30 3bg5 s SER 802 Ca 0.32 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 55.08 3bg5 s SER 802 Cb 0.32 0.56 0.00 0.00 0.10 0.00 0.00 66.02 67.00 3bg5 s SER 802 CO -0.05 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3bg5 n GLY 803 N -1.21 -1.97 7.00 7.32 0.00 0.43 -4.77 105.19 112.00 3bg5 n GLY 803 Ca -0.17 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.76 0.00 0.00 0.99 4.77 -1.24 -1.02 117.00 117.75 3bg5 n LEU 804 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 3bg5 n LEU 804 Cb 0.20 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.83 3bg5 n LEU 804 CO 0.01 0.00 0.78 0.35 -1.33 0.00 0.00 177.39 177.19 3bg5 n THR 805 N 0.00 0.00 -1.68 -5.08 -2.24 -1.26 -0.54 114.28 103.48 3bg5 n THR 805 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3bg5 n THR 805 Cb 0.00 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.86 0.00 -4.93 3.42 2.88 -0.19 -4.65 113.62 109.29 3bg5 n SER 806 Ca 0.14 -0.88 -0.25 0.00 -1.33 0.00 0.00 58.87 56.54 3bg5 n SER 806 Cb 0.06 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.53 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 -2.15 3.17 0.60 -1.46 -1.52 -1.26 -0.86 119.66 116.18 3bg5 s GLN 807 Ca 0.00 -0.17 -0.18 0.00 -1.95 0.00 0.00 55.36 53.06 3bg5 s GLN 807 Cb 0.00 -2.44 -0.06 0.00 -0.22 0.00 0.00 33.01 30.29 3bg5 s GLN 807 CO 0.00 -0.35 0.80 -2.30 -0.25 0.00 0.00 175.29 173.19 3bg5 n PRO 808 N -2.25 0.72 -2.10 2.91 -0.02 -1.26 -0.43 135.00 132.57 3bg5 n PRO 808 Ca 0.02 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 3bg5 n PRO 808 Cb 0.57 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 3bg5 n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3bg5 s SER 809 N -1.25 6.74 0.23 2.55 0.15 -1.26 -2.47 113.70 118.39 3bg5 s SER 809 Ca 0.74 2.17 -0.07 0.00 0.70 0.00 0.00 55.95 59.48 3bg5 s SER 809 Cb -0.42 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.55 3bg5 s SER 809 CO 0.49 -0.85 1.87 0.00 1.20 0.00 0.00 173.24 175.95 3bg5 h ALA 810 N 8.78 1.14 -0.46 5.45 0.00 -1.42 -1.52 119.26 131.23 3bg5 h ALA 810 Ca -0.38 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3bg5 h ALA 810 Cb 1.17 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3bg5 h ALA 810 CO 0.94 0.63 0.14 -0.91 0.00 0.00 0.00 179.25 180.04 3bg5 h ASN 811 N 1.24 0.11 -0.21 0.00 2.35 -1.91 -0.46 115.58 116.70 3bg5 h ASN 811 Ca 0.32 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.09 3bg5 h ASN 811 Cb -0.01 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3bg5 h ASN 811 CO -0.06 0.09 -0.04 0.28 -1.65 0.00 0.00 177.43 176.06 3bg5 h SER 812 N 0.29 0.40 -0.91 5.81 0.02 -1.86 -3.06 113.55 114.24 3bg5 h SER 812 Ca 0.22 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3bg5 h SER 812 Cb 0.25 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 3bg5 h SER 812 CO -0.25 0.66 0.60 0.25 -1.14 0.00 0.00 176.83 176.95 3bg5 h LEU 813 N 0.14 1.04 -0.42 5.07 5.85 -1.09 0.90 115.31 126.79 3bg5 h LEU 813 Ca 0.06 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.84 3bg5 h LEU 813 Cb 0.47 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 3bg5 h LEU 813 CO 0.02 0.75 -0.29 0.22 -0.34 0.00 0.00 178.44 178.80 3bg5 h TYR 814 N 1.22 -0.78 0.00 1.25 3.20 -0.98 -2.11 116.97 118.78 3bg5 h TYR 814 Ca 0.34 0.06 -0.23 0.00 3.14 0.00 0.00 58.73 62.03 3bg5 h TYR 814 Cb -0.13 0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3bg5 h TYR 814 CO -0.01 -0.35 -0.96 1.88 -1.64 0.00 0.00 178.16 177.08 3bg5 h TYR 815 N -0.21 0.64 -1.04 -3.82 -1.99 -1.49 -3.23 116.97 105.83 3bg5 h TYR 815 Ca 0.19 -0.35 0.30 0.00 2.00 0.00 0.00 58.73 60.86 3bg5 h TYR 815 Cb 0.51 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.13 3bg5 h TYR 815 CO -0.52 1.18 0.74 0.00 -0.00 0.00 0.00 178.16 179.56 3bg5 h ALA 816 N 0.71 2.94 0.00 3.88 0.00 -0.17 -1.60 119.26 125.01 3bg5 h ALA 816 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bg5 h ALA 816 Cb 1.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3bg5 h ALA 816 CO 0.17 -1.24 -0.44 1.28 0.00 0.00 0.00 179.25 179.02 3bg5 n LEU 817 N -4.25 0.69 -4.65 0.00 4.77 -0.94 -4.87 117.00 107.74 3bg5 n LEU 817 Ca 0.22 0.31 -0.56 0.00 -0.03 0.00 0.00 56.01 55.95 3bg5 n LEU 817 Cb 1.09 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.88 3bg5 n LEU 817 CO 0.39 -0.07 1.10 0.59 -1.33 0.00 0.00 177.39 178.06 3bg5 n ASN 818 N -2.09 1.85 0.00 -1.43 5.03 -0.61 -0.17 115.26 117.84 3bg5 n ASN 818 Ca 0.04 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.60 3bg5 n ASN 818 Cb 0.43 -1.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.06 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 3.35 1.47 3.96 7.41 0.00 -1.26 -5.04 105.19 115.09 3bg5 n GLY 819 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.38 3.43 0.35 1.61 0.40 0.76 -5.03 117.98 116.11 3bg5 s PHE 820 Ca 0.00 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 3bg5 s PHE 820 Cb 0.00 -1.70 0.67 0.00 0.51 0.00 0.00 43.02 42.50 3bg5 s PHE 820 CO 0.00 0.30 1.97 -1.35 0.70 0.00 0.00 175.22 176.84 3bg5 h PRO 821 N 1.02 0.81 -6.05 0.24 0.11 -1.96 -3.43 132.00 122.73 3bg5 h PRO 821 Ca -0.51 -0.05 -0.68 0.00 0.11 0.00 0.00 66.00 64.87 3bg5 h PRO 821 Cb 1.23 -0.18 -0.19 0.00 0.11 0.00 0.00 31.00 31.97 3bg5 h PRO 821 CO 0.60 0.53 -0.68 1.03 -0.21 0.00 0.00 178.00 179.27 3bg5 s ARG 822 N -5.72 2.85 0.05 1.05 0.52 -1.26 -5.07 118.95 111.37 3bg5 s ARG 822 Ca -0.10 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3bg5 s ARG 822 Cb 0.19 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 3bg5 s ARG 822 CO 0.77 0.64 0.14 -1.58 0.02 0.00 0.00 175.30 175.29 3bg5 s HIS 823 N -0.73 3.36 -0.28 -0.53 5.65 -1.26 -4.88 115.29 116.62 3bg5 s HIS 823 Ca 0.11 0.18 -0.24 0.00 0.25 0.00 0.00 55.06 55.37 3bg5 s HIS 823 Cb -0.11 -1.71 -0.00 0.00 -1.18 0.00 0.00 32.58 29.58 3bg5 s HIS 823 CO 0.02 0.56 0.80 -1.17 -0.65 0.00 0.00 174.74 174.30 3bg5 s LEU 824 N -2.32 4.08 -0.77 8.88 2.96 -1.26 -1.14 118.68 129.11 3bg5 s LEU 824 Ca 0.31 0.81 -0.26 0.00 -0.22 0.00 0.00 54.13 54.76 3bg5 s LEU 824 Cb -0.13 -3.12 -0.00 0.00 0.50 0.00 0.00 46.19 43.45 3bg5 s LEU 824 CO 0.23 -0.58 1.66 -0.60 -1.32 0.00 0.00 176.35 175.74 3bg5 s ARG 825 N 2.92 2.91 0.16 1.98 3.52 -0.41 -4.91 118.95 125.12 3bg5 s ARG 825 Ca 0.33 -0.07 -0.24 0.00 -0.13 0.00 0.00 55.73 55.63 3bg5 s ARG 825 Cb -0.14 -4.62 0.08 0.00 -1.56 0.00 0.00 34.95 28.70 3bg5 s ARG 825 CO 0.11 -2.63 1.03 -0.08 -0.81 0.00 0.00 175.30 172.92 3bg5 s THR 826 N 7.75 0.00 -0.63 4.11 -1.32 -1.26 -4.61 115.64 119.68 3bg5 s THR 826 Ca 0.56 -0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 60.35 3bg5 s THR 826 Cb -0.08 -2.54 0.16 0.00 -1.51 0.00 0.00 72.50 68.53 3bg5 s THR 826 CO 0.10 0.00 0.52 -0.62 -2.21 0.00 0.00 174.62 172.41 3bg5 s ASP 827 N -3.23 6.03 0.23 8.08 3.68 -1.25 -4.97 116.67 125.23 3bg5 s ASP 827 Ca 0.18 -2.33 -0.07 0.00 2.13 0.00 0.00 52.55 52.46 3bg5 s ASP 827 Cb -0.02 -2.07 0.24 0.00 -1.45 0.00 0.00 42.92 39.62 3bg5 s ASP 827 CO 0.04 -0.62 1.89 0.16 0.13 0.00 0.00 175.17 176.77 3bg5 h ILE 828 N 5.49 1.18 -0.60 4.11 -0.00 -1.97 -0.06 117.51 125.66 3bg5 h ILE 828 Ca -0.08 -0.39 0.04 0.00 -0.00 0.00 0.00 64.86 64.43 3bg5 h ILE 828 Cb 1.04 -0.06 -0.05 0.00 -0.00 0.00 0.00 36.82 37.76 3bg5 h ILE 828 CO 0.83 0.21 0.34 -0.08 -0.00 0.00 0.00 178.15 179.44 3bg5 h GLU 829 N 1.13 0.64 -0.05 0.16 4.81 -2.00 0.37 114.58 119.65 3bg5 h GLU 829 Ca 0.34 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3bg5 h GLU 829 Cb -0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3bg5 h GLU 829 CO -0.10 0.42 -0.16 0.78 -0.73 0.00 0.00 179.01 179.22 3bg5 h GLY 830 N 0.65 0.08 1.86 1.92 0.00 -1.82 -2.34 103.07 103.42 3bg5 h GLY 830 Ca 0.26 -0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.33 3bg5 h GLY 830 CO -0.14 0.04 -1.07 1.98 0.00 0.00 0.00 176.54 177.35 3bg5 h MET 831 N 0.07 0.00 -0.45 4.80 4.05 0.12 -1.07 114.93 122.45 3bg5 h MET 831 Ca 0.01 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3bg5 h MET 831 Cb 0.34 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3bg5 h MET 831 CO 0.02 0.90 0.15 0.93 0.23 0.00 0.00 176.91 179.15 3bg5 h GLU 832 N 0.00 0.69 -0.45 0.39 4.39 -0.30 -0.94 114.58 118.36 3bg5 h GLU 832 Ca -0.05 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3bg5 h GLU 832 Cb 1.78 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 3bg5 h GLU 832 CO 0.12 0.66 0.27 1.03 -1.16 0.00 0.00 179.01 179.92 3bg5 h SER 833 N 0.58 0.55 -0.49 1.42 0.87 -1.31 -1.37 113.55 113.81 3bg5 h SER 833 Ca 0.15 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3bg5 h SER 833 Cb 0.25 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3bg5 h SER 833 CO -0.01 0.45 0.11 -0.07 -0.53 0.00 0.00 176.83 176.78 3bg5 h LEU 834 N 0.60 0.75 -0.29 2.23 3.38 -1.17 -2.57 115.31 118.24 3bg5 h LEU 834 Ca 0.16 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3bg5 h LEU 834 Cb 0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3bg5 h LEU 834 CO -0.03 0.80 -0.09 -1.28 0.09 0.00 0.00 178.44 177.92 3bg5 h SER 835 N 0.67 -0.33 -0.36 -0.43 0.87 -0.76 0.06 113.55 113.26 3bg5 h SER 835 Ca 0.15 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.87 3bg5 h SER 835 Cb 0.35 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 3bg5 h SER 835 CO 0.00 -0.12 0.01 0.45 -0.53 0.00 0.00 176.83 176.64 3bg5 h HIS 836 N -0.04 0.01 -0.05 2.24 3.86 -1.22 0.29 115.15 120.25 3bg5 h HIS 836 Ca 0.14 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 3bg5 h HIS 836 Cb 0.25 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 3bg5 h HIS 836 CO -0.30 -0.05 -0.34 -0.92 0.86 0.00 0.00 177.93 177.18 3bg5 h TYR 837 N 0.12 -0.93 -0.09 2.45 3.20 -0.94 -2.28 116.97 118.51 3bg5 h TYR 837 Ca 0.18 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3bg5 h TYR 837 Cb 0.24 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3bg5 h TYR 837 CO -0.24 -0.42 -0.33 -1.49 -1.64 0.00 0.00 178.16 174.04 3bg5 h TRP 838 N -0.46 0.18 -0.68 -3.82 4.06 -0.39 -2.03 115.95 112.80 3bg5 h TRP 838 Ca 0.07 -0.04 0.10 0.00 2.06 0.00 0.00 58.89 61.08 3bg5 h TRP 838 Cb 0.57 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 28.61 3bg5 h TRP 838 CO -0.38 0.48 0.30 1.03 -3.56 0.00 0.00 178.44 176.31 3bg5 h SER 839 N 0.14 0.34 -0.11 -3.49 0.87 0.12 0.30 113.55 111.72 3bg5 h SER 839 Ca 0.02 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3bg5 h SER 839 Cb 0.67 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3bg5 h SER 839 CO 0.05 0.19 -0.25 0.74 -0.53 0.00 0.00 176.83 177.02 3bg5 h THR 840 N 0.50 1.39 -0.73 2.23 2.02 -1.05 -3.28 112.91 113.99 3bg5 h THR 840 Ca 0.35 -1.55 0.01 0.00 0.77 0.00 0.00 66.41 65.98 3bg5 h THR 840 Cb 0.42 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 3bg5 h THR 840 CO -0.31 0.45 0.48 0.58 0.37 0.00 0.00 175.52 177.10 3bg5 h VAL 841 N -0.07 1.18 -0.79 3.16 2.07 -0.98 -2.20 116.25 118.63 3bg5 h VAL 841 Ca -0.00 -0.34 0.16 0.00 0.82 0.00 0.00 66.70 67.34 3bg5 h VAL 841 Cb 0.85 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 3bg5 h VAL 841 CO 0.06 0.18 0.31 -0.09 0.02 0.00 0.00 177.57 178.04 3bg5 h ARG 842 N 0.98 0.40 -1.33 1.57 2.43 -0.50 0.16 114.38 118.10 3bg5 h ARG 842 Ca 0.27 -0.02 0.40 0.00 -0.81 0.00 0.00 59.98 59.81 3bg5 h ARG 842 Cb -0.11 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.25 3bg5 h ARG 842 CO -0.06 0.27 0.89 1.15 -1.51 0.00 0.00 179.97 180.71 3bg5 h THR 843 N 0.42 0.25 0.00 0.20 2.02 -1.45 0.29 112.91 114.63 3bg5 h THR 843 Ca 0.45 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.58 3bg5 h THR 843 Cb 0.73 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3bg5 h THR 843 CO -0.45 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.25 3bg5 n TYR 844 N -4.48 0.61 -0.98 3.16 0.53 0.55 -3.11 117.16 113.44 3bg5 n TYR 844 Ca 0.33 0.27 0.09 0.00 -1.02 0.00 0.00 57.90 57.58 3bg5 n TYR 844 Cb 1.36 -0.94 0.18 0.00 -1.03 0.00 0.00 39.34 38.92 3bg5 n TYR 844 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3bg5 n TYR 845 N -2.08 0.39 0.10 -0.72 4.02 0.10 -4.76 117.16 114.21 3bg5 n TYR 845 Ca 0.01 -0.92 0.16 0.00 -0.01 0.00 0.00 57.90 57.13 3bg5 n TYR 845 Cb 0.14 -0.21 0.68 0.00 -0.02 0.00 0.00 39.34 39.92 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 0.78 0.00 0.10 7.72 4.64 -1.61 0.34 113.55 125.52 3bg5 h SER 846 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bg5 h SER 846 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3bg5 h SER 846 CO 0.09 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.49 3bg5 h ASP 847 N 0.00 0.00 -0.03 4.97 3.32 -1.89 -2.89 116.42 119.89 3bg5 h ASP 847 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3bg5 h ASP 847 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3bg5 h ASP 847 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3bg5 n PHE 848 N -2.84 0.02 -1.66 4.55 3.01 0.12 -4.97 117.46 115.68 3bg5 n PHE 848 Ca -0.02 -0.02 -0.39 0.00 1.01 0.00 0.00 57.45 58.03 3bg5 n PHE 848 Cb 0.08 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.84 1.42 -3.93 -1.08 -0.58 -1.10 -4.09 120.64 112.12 3bg5 n GLU 849 Ca 0.09 0.52 -0.35 0.00 -0.42 0.00 0.00 57.16 57.00 3bg5 n GLU 849 Cb 0.38 -2.29 -0.09 0.00 -0.57 0.00 0.00 31.44 28.87 3bg5 n GLU 849 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3bg5 s SER 852 N -0.89 5.83 0.16 1.62 1.04 -1.25 -4.99 113.70 115.22 3bg5 s SER 852 Ca 0.69 0.15 0.12 0.00 0.48 0.00 0.00 55.95 57.38 3bg5 s SER 852 Cb -0.47 -1.99 0.54 0.00 0.10 0.00 0.00 66.02 64.20 3bg5 s SER 852 CO 0.52 0.20 0.57 -0.90 0.98 0.00 0.00 173.24 174.61 3bg5 n ASP 853 N 3.38 0.08 -4.68 7.02 3.85 -1.26 -4.55 116.55 120.38 3bg5 n ASP 853 Ca -0.17 0.51 -0.50 0.00 -0.71 0.00 0.00 54.79 53.91 3bg5 n ASP 853 Cb 0.52 -0.25 -0.05 0.00 -1.35 0.00 0.00 41.12 39.99 3bg5 n ASP 853 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3bg5 n ILE 854 N -3.38 0.41 -0.95 2.12 5.41 -1.26 -4.85 119.36 116.86 3bg5 n ILE 854 Ca 0.15 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3bg5 n ILE 854 Cb 0.57 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 3bg5 n ILE 854 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3bg5 n LYS 855 N 5.72 0.04 -3.84 0.38 2.85 -1.26 -5.04 118.16 117.00 3bg5 n LYS 855 Ca 0.23 -0.27 -0.12 0.00 -1.05 0.00 0.00 58.31 57.10 3bg5 n LYS 855 Cb 0.25 -0.52 -0.10 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 -0.02 -0.04 0.48 -5.58 0.01 -1.26 -5.11 113.70 102.18 3bg5 s SER 856 Ca 0.00 -0.10 -0.24 0.00 1.31 0.00 0.00 55.95 56.92 3bg5 s SER 856 Cb 0.00 0.24 -0.07 0.00 0.21 0.00 0.00 66.02 66.40 3bg5 s SER 856 CO 0.00 -0.37 1.38 -2.16 0.41 0.00 0.00 173.24 172.50 3bg5 s PRO 857 N -1.29 3.53 -0.17 12.44 0.04 -1.26 -5.02 135.00 143.27 3bg5 s PRO 857 Ca -0.14 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3bg5 s PRO 857 Cb -0.07 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 31.99 3bg5 s PRO 857 CO 0.02 -0.91 -0.08 1.21 0.04 0.00 0.00 177.00 177.28 3bg5 s ASN 858 N -0.71 2.92 0.00 6.66 3.84 -0.32 -4.97 114.94 122.36 3bg5 s ASN 858 Ca 0.64 -0.67 0.29 0.00 0.21 0.00 0.00 52.86 53.33 3bg5 s ASN 858 Cb -0.42 -1.04 1.21 0.00 -0.55 0.00 0.00 41.25 40.45 3bg5 s ASN 858 CO 0.52 -0.15 1.84 0.35 -2.79 0.00 0.00 177.10 176.87 3bg5 n THR 859 N 4.81 0.00 0.32 -5.21 -2.24 -1.26 -3.95 114.28 106.74 3bg5 n THR 859 Ca -0.14 -0.20 0.15 0.00 -2.27 0.00 0.00 64.05 61.59 3bg5 n THR 859 Cb 0.48 0.30 0.50 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.87 0.00 -1.26 -0.78 5.08 -1.96 -2.78 114.58 114.75 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 0.40 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 3bg5 h GLU 860 CO 0.00 0.00 0.84 -0.84 -1.00 0.00 0.00 179.01 178.01 3bg5 h ILE 861 N 0.00 0.30 0.00 3.13 3.07 -1.96 0.53 117.51 122.58 3bg5 h ILE 861 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3bg5 h ILE 861 Cb 0.62 0.12 0.00 0.00 -0.27 0.00 0.00 36.82 37.29 3bg5 h ILE 861 CO 0.00 0.03 0.00 -1.22 -1.05 0.00 0.00 178.15 175.91 3bg5 n TYR 862 N -4.51 0.20 -0.09 0.16 0.53 -1.05 -0.46 117.16 111.94 3bg5 n TYR 862 Ca 0.32 0.09 -0.10 0.00 -1.02 0.00 0.00 57.90 57.18 3bg5 n TYR 862 Cb 1.26 -0.64 -0.04 0.00 -1.03 0.00 0.00 39.34 38.90 3bg5 n TYR 862 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3bg5 n GLN 863 N -1.69 0.52 0.05 -0.72 1.13 0.18 -4.78 117.38 112.08 3bg5 n GLN 863 Ca 0.02 0.29 -0.04 0.00 -1.94 0.00 0.00 57.00 55.33 3bg5 n GLN 863 Cb 0.13 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.90 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 -2.80 1.08 2.07 -1.42 -3.44 115.15 109.64 3bg5 h HIS 864 Ca -0.07 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.16 3bg5 h HIS 864 Cb 0.97 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.97 3bg5 h HIS 864 CO -0.34 0.80 -0.41 0.39 -3.07 0.00 0.00 177.93 175.30 3bg5 n GLU 865 N -3.14 -2.54 -2.56 5.12 1.02 0.39 -4.50 120.64 114.43 3bg5 n GLU 865 Ca -0.06 0.67 -0.43 0.00 -0.02 0.00 0.00 57.16 57.32 3bg5 n GLU 865 Cb 0.90 -4.97 -0.02 0.00 -0.02 0.00 0.00 31.44 27.33 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 -5.10 4.28 0.52 3.49 -1.94 -1.26 -4.89 119.30 114.40 3bg5 s MET 866 Ca 0.13 1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 55.43 3bg5 s MET 866 Cb -0.06 -3.66 -0.07 0.00 2.01 0.00 0.00 34.83 33.05 3bg5 s MET 866 CO 0.16 -0.60 1.02 -1.25 -0.01 0.00 0.00 175.02 174.33 3bg5 s PRO 867 N 3.07 3.74 0.00 2.03 0.04 -1.26 -4.72 135.00 137.90 3bg5 s PRO 867 Ca 0.49 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3bg5 s PRO 867 Cb -0.19 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3bg5 s PRO 867 CO 0.12 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.11 3bg5 n GLY 868 N -0.90 1.39 0.22 0.56 0.00 -0.75 -2.40 105.19 103.30 3bg5 n GLY 868 Ca 0.08 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 3bg5 n GLY 868 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bg5 h GLY 869 N 0.00 -0.58 0.00 -0.02 0.00 -1.91 -3.39 103.07 97.17 3bg5 h GLY 869 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3bg5 h GLY 869 CO 0.00 -0.21 0.00 -1.06 0.00 0.00 0.00 176.54 175.27 3bg5 n GLN 870 N -3.56 0.00 -0.11 4.80 1.13 -1.01 -2.35 117.38 116.29 3bg5 n GLN 870 Ca -0.07 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.94 3bg5 n GLN 870 Cb 0.22 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.58 3bg5 n GLN 870 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 3bg5 h TYR 871 N 0.00 -0.08 0.04 1.08 3.20 -1.77 0.38 116.97 119.82 3bg5 h TYR 871 Ca 0.00 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.67 3bg5 h TYR 871 Cb 0.00 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3bg5 h TYR 871 CO 0.00 -0.10 -1.06 0.66 -1.64 0.00 0.00 178.16 176.02 3bg5 h SER 872 N 0.07 0.15 -0.98 -2.11 4.64 -1.80 -2.93 113.55 110.58 3bg5 h SER 872 Ca 0.18 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3bg5 h SER 872 Cb 0.26 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 3bg5 h SER 872 CO -0.33 1.10 0.65 0.78 -0.87 0.00 0.00 176.83 178.16 3bg5 h ASN 873 N 0.03 1.09 0.43 4.97 2.35 -1.56 -0.26 115.58 122.63 3bg5 h ASN 873 Ca -0.05 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3bg5 h ASN 873 Cb 1.80 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.91 3bg5 h ASN 873 CO 0.15 0.77 -0.00 -0.11 -1.65 0.00 0.00 177.43 176.59 3bg5 n LEU 874 N -4.42 0.00 -0.06 1.61 7.94 0.13 -2.35 117.00 119.86 3bg5 n LEU 874 Ca 0.13 0.21 -0.07 0.00 -1.11 0.00 0.00 56.01 55.17 3bg5 n LEU 874 Cb 0.06 -0.22 -0.15 0.00 0.53 0.00 0.00 43.42 43.65 3bg5 n LEU 874 CO 0.36 0.00 -0.84 -1.20 -1.11 0.00 0.00 177.39 174.60 3bg5 n SER 875 N -1.21 0.38 0.07 1.96 7.64 -0.51 -3.07 113.62 118.88 3bg5 n SER 875 Ca 0.17 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 60.22 3bg5 n SER 875 Cb 0.21 0.61 0.29 0.00 -1.01 0.00 0.00 64.21 64.31 3bg5 n SER 875 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3bg5 h GLN 876 N 0.00 0.34 0.00 1.43 4.20 -0.82 -3.02 115.11 117.23 3bg5 h GLN 876 Ca -0.39 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 3bg5 h GLN 876 Cb 2.04 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.80 3bg5 h GLN 876 CO 0.05 0.54 -0.38 0.37 -0.67 0.00 0.00 178.83 178.74 3bg5 h GLN 877 N 0.31 0.25 0.00 1.46 4.15 -1.61 -1.67 115.11 118.00 3bg5 h GLN 877 Ca 0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 3bg5 h GLN 877 Cb 0.56 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 3bg5 h GLN 877 CO 0.04 0.99 -0.05 0.00 -1.93 0.00 0.00 178.83 177.88 3bg5 h ALA 878 N 0.27 1.83 0.04 3.38 0.00 -1.56 -0.70 119.26 122.52 3bg5 h ALA 878 Ca -0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3bg5 h ALA 878 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3bg5 h ALA 878 CO 0.07 0.07 -0.43 0.87 0.00 0.00 0.00 179.25 179.83 3bg5 h LYS 879 N 0.00 0.10 0.00 0.00 1.57 -1.62 0.15 116.57 116.76 3bg5 h LYS 879 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3bg5 h LYS 879 Cb 0.10 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3bg5 h LYS 879 CO 0.01 1.08 0.08 0.43 -0.57 0.00 0.00 179.45 180.48 3bg5 n SER 880 N -4.42 0.00 0.00 0.86 7.64 -0.63 -3.67 113.62 113.40 3bg5 n SER 880 Ca -0.14 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3bg5 n SER 880 Cb 0.62 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3bg5 n SER 880 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bg5 n LEU 881 N -1.11 0.00 -1.87 -3.43 4.77 -0.34 -5.03 117.00 109.98 3bg5 n LEU 881 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3bg5 n LEU 881 Cb 0.08 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3bg5 n LEU 881 CO 0.00 0.00 0.46 0.61 -1.33 0.00 0.00 177.39 177.13 3bg5 n GLY 882 N 4.85 1.07 0.00 -0.72 0.00 -1.17 -4.97 105.19 104.25 3bg5 n GLY 882 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.79 1.33 0.00 0.99 4.77 0.43 -4.75 117.00 118.98 3bg5 n LEU 883 Ca -0.18 -1.33 0.03 0.00 -0.03 0.00 0.00 56.01 54.50 3bg5 n LEU 883 Cb 0.74 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 42.03 3bg5 n LEU 883 CO -0.13 0.33 0.47 0.61 -1.33 0.00 0.00 177.39 177.35 3bg5 n GLY 884 N -0.28 -0.32 0.01 -0.72 0.00 -0.63 -1.36 105.19 101.88 3bg5 n GLY 884 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3bg5 n GLY 884 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bg5 n GLU 885 N -1.10 0.46 -2.26 1.61 -0.58 -1.26 -4.47 120.64 113.04 3bg5 n GLU 885 Ca 0.05 -0.13 -0.18 0.00 -0.42 0.00 0.00 57.16 56.48 3bg5 n GLU 885 Cb 0.03 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 3bg5 n GLU 885 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3bg5 n ARG 886 N -1.97 3.10 0.31 3.49 1.85 -0.47 -4.76 116.66 118.21 3bg5 n ARG 886 Ca -0.01 -4.01 0.20 0.00 -1.00 0.00 0.00 57.85 53.03 3bg5 n ARG 886 Cb 0.47 -2.09 1.07 0.00 -1.05 0.00 0.00 32.46 30.86 3bg5 n ARG 886 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3bg5 h PHE 887 N 2.32 0.00 0.00 2.89 3.57 -1.76 -0.93 116.94 123.03 3bg5 h PHE 887 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3bg5 h PHE 887 Cb 1.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.18 3bg5 h PHE 887 CO 0.76 0.00 0.00 -0.44 -2.23 0.00 0.00 178.31 176.40 3bg5 h ASP 888 N 0.00 0.00 0.11 0.41 3.32 -1.91 0.91 116.42 119.27 3bg5 h ASP 888 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3bg5 h ASP 888 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3bg5 h ASP 888 CO -0.00 0.00 -1.90 -0.62 -1.72 0.00 0.00 179.24 175.00 3bg5 n GLU 889 N -2.97 0.65 0.05 3.56 1.02 -0.36 -3.46 120.64 119.13 3bg5 n GLU 889 Ca -0.01 -0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 56.85 3bg5 n GLU 889 Cb 0.16 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 3bg5 n GLU 889 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3bg5 h VAL 890 N 0.00 0.95 -0.91 2.62 2.07 -1.31 -1.00 116.25 118.67 3bg5 h VAL 890 Ca -0.01 -1.13 0.25 0.00 0.82 0.00 0.00 66.70 66.62 3bg5 h VAL 890 Cb 1.03 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 32.23 3bg5 h VAL 890 CO 0.00 0.24 0.37 0.11 0.02 0.00 0.00 177.57 178.31 3bg5 h LYS 891 N -0.80 0.31 -0.25 1.57 1.57 -1.04 0.31 116.57 118.24 3bg5 h LYS 891 Ca -0.02 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3bg5 h LYS 891 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3bg5 h LYS 891 CO 0.03 0.20 -0.55 0.22 -0.57 0.00 0.00 179.45 178.79 3bg5 h ASP 892 N 0.32 0.92 -0.32 0.86 3.58 -1.58 -2.94 116.42 117.26 3bg5 h ASP 892 Ca 0.59 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3bg5 h ASP 892 Cb 1.21 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 3bg5 h ASP 892 CO -0.59 1.30 0.15 -0.03 -2.88 0.00 0.00 179.24 177.19 3bg5 h MET 893 N 0.57 0.46 -0.07 0.28 4.05 0.26 -0.33 114.93 120.14 3bg5 h MET 893 Ca 0.00 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3bg5 h MET 893 Cb 1.16 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.82 3bg5 h MET 893 CO 0.12 0.43 -0.53 -0.92 0.23 0.00 0.00 176.91 176.24 3bg5 h TYR 894 N 0.38 -1.56 -0.84 1.39 3.20 -0.51 1.82 116.97 120.85 3bg5 h TYR 894 Ca 0.11 0.05 0.21 0.00 3.14 0.00 0.00 58.73 62.24 3bg5 h TYR 894 Cb 0.12 0.69 -0.13 0.00 1.54 0.00 0.00 36.73 38.95 3bg5 h TYR 894 CO -0.02 -0.54 0.21 -0.09 -1.64 0.00 0.00 178.16 176.08 3bg5 h ARG 895 N -0.60 0.22 -0.03 1.82 9.65 -1.40 -1.18 114.38 122.85 3bg5 h ARG 895 Ca 0.02 -0.01 -0.22 0.00 -1.10 0.00 0.00 59.98 58.67 3bg5 h ARG 895 Cb 0.68 -0.05 0.02 0.00 -1.39 0.00 0.00 29.97 29.22 3bg5 h ARG 895 CO -0.39 0.15 -0.83 0.00 2.80 0.00 0.00 179.97 181.70 3bg5 h ARG 896 N 0.23 0.62 -0.78 0.20 3.08 0.47 -3.20 114.38 115.00 3bg5 h ARG 896 Ca 0.51 -0.62 0.08 0.00 0.07 0.00 0.00 59.98 60.02 3bg5 h ARG 896 Cb 0.97 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 3bg5 h ARG 896 CO -0.62 1.23 0.44 0.28 -1.07 0.00 0.00 179.97 180.23 3bg5 h VAL 897 N 0.25 0.92 -0.44 2.04 2.07 0.31 -0.39 116.25 121.01 3bg5 h VAL 897 Ca -0.09 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.26 3bg5 h VAL 897 Cb 1.49 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 3bg5 h VAL 897 CO 0.16 0.14 -0.17 -1.13 0.02 0.00 0.00 177.57 176.59 3bg5 h ASN 898 N 0.75 -0.60 0.79 0.57 -0.73 -1.23 0.30 115.58 115.43 3bg5 h ASN 898 Ca 0.37 0.15 -0.09 0.00 1.87 0.00 0.00 56.30 58.60 3bg5 h ASN 898 Cb 0.31 0.35 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 3bg5 h ASN 898 CO -0.23 -0.21 -0.45 -0.26 -0.37 0.00 0.00 177.43 175.91 3bg5 h PHE 899 N -0.08 0.00 -0.37 0.67 -1.00 -1.42 0.13 116.94 114.87 3bg5 h PHE 899 Ca 0.21 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.94 3bg5 h PHE 899 Cb 0.41 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 3bg5 h PHE 899 CO -0.43 0.45 -0.01 1.25 -1.61 0.00 0.00 178.31 177.95 3bg5 h LEU 900 N 0.00 0.55 -1.26 1.54 5.85 -0.16 -2.84 115.31 119.00 3bg5 h LEU 900 Ca -0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3bg5 h LEU 900 Cb 0.96 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3bg5 h LEU 900 CO 0.06 0.63 0.00 0.49 -0.34 0.00 0.00 178.44 179.28 3bg5 n PHE 901 N -4.25 0.36 -0.40 1.25 3.01 0.01 -4.88 117.46 112.56 3bg5 n PHE 901 Ca 0.02 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3bg5 n PHE 901 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 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 1.12 0.78 2.17 1.37 0.00 -1.07 -4.63 105.19 104.93 3bg5 n GLY 902 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.39 -5.28 -4.83 1.61 4.64 0.41 -4.68 116.55 108.81 3bg5 n ASP 903 Ca 0.00 0.71 -0.22 0.00 -1.38 0.00 0.00 54.79 53.90 3bg5 n ASP 903 Cb 0.00 -3.37 -0.05 0.00 -1.04 0.00 0.00 41.12 36.66 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 -1.04 2.61 -0.03 5.18 -4.36 -1.26 -4.79 121.20 117.51 3bg5 s ILE 904 Ca 0.02 -1.47 -0.29 0.00 -0.26 0.00 0.00 60.65 58.66 3bg5 s ILE 904 Cb -0.01 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 3bg5 s ILE 904 CO 0.43 -0.02 0.93 -0.69 0.24 0.00 0.00 174.94 175.83 3bg5 s VAL 905 N -2.50 4.89 -0.41 8.37 1.01 -1.26 -5.02 120.40 125.48 3bg5 s VAL 905 Ca 0.45 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 64.34 3bg5 s VAL 905 Cb -0.01 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.21 3bg5 s VAL 905 CO 0.26 0.16 0.21 -0.54 0.00 0.00 0.00 175.10 175.18 3bg5 s LYS 906 N 1.10 2.05 0.11 2.72 1.02 -1.26 -4.67 119.74 120.81 3bg5 s LYS 906 Ca 0.49 -1.79 0.01 0.00 0.02 0.00 0.00 55.97 54.70 3bg5 s LYS 906 Cb -0.20 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3bg5 s LYS 906 CO 0.25 -1.06 0.12 0.28 -0.92 0.00 0.00 175.35 174.02 3bg5 n VAL 907 N 4.62 0.00 -2.30 3.17 0.31 -1.26 -4.55 118.33 118.31 3bg5 n VAL 907 Ca -0.03 -0.73 -0.42 0.00 -0.01 0.00 0.00 64.34 63.15 3bg5 n VAL 907 Cb 0.41 0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 33.71 3bg5 n VAL 907 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3bg5 s THR 908 N -2.49 3.98 -2.75 2.52 2.01 -1.26 0.13 115.64 117.78 3bg5 s THR 908 Ca 0.12 1.28 0.24 0.00 0.31 0.00 0.00 61.69 63.64 3bg5 s THR 908 Cb 0.00 -3.82 0.31 0.00 0.01 0.00 0.00 72.50 69.00 3bg5 s THR 908 CO 0.08 -0.05 1.34 -0.81 -0.69 0.00 0.00 174.62 174.49 3bg5 n PRO 909 N 5.98 2.39 0.17 4.92 -0.04 -1.26 -4.63 135.00 142.53 3bg5 n PRO 909 Ca 0.13 -2.06 0.19 0.00 -0.04 0.00 0.00 63.50 61.72 3bg5 n PRO 909 Cb 0.44 -1.49 0.78 0.00 -0.04 0.00 0.00 33.50 33.20 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 4.54 0.00 0.70 3.54 4.64 -0.32 -1.67 113.55 124.98 3bg5 h SER 910 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3bg5 h SER 910 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3bg5 h SER 910 CO 0.00 0.00 -1.22 0.77 -0.87 0.00 0.00 176.83 175.51 3bg5 h SER 911 N 0.00 0.30 -0.50 4.97 4.64 0.76 -2.95 113.55 120.78 3bg5 h SER 911 Ca 0.13 -0.34 0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3bg5 h SER 911 Cb 0.86 -0.10 -0.10 0.00 -0.31 0.00 0.00 62.40 62.76 3bg5 h SER 911 CO -0.00 1.27 -0.14 0.50 -0.87 0.00 0.00 176.83 177.59 3bg5 h LYS 912 N 0.05 -0.02 0.44 4.77 3.11 -1.52 0.43 116.57 123.85 3bg5 h LYS 912 Ca -0.12 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.71 3bg5 h LYS 912 Cb 1.93 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.14 3bg5 h LYS 912 CO 0.18 -0.01 -0.44 0.28 -2.81 0.00 0.00 179.45 176.65 3bg5 h VAL 913 N -0.02 0.00 -0.81 2.00 2.07 -1.53 0.36 116.25 118.32 3bg5 h VAL 913 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 3bg5 h VAL 913 Cb 0.38 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 3bg5 h VAL 913 CO -0.53 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.17 3bg5 h VAL 914 N -0.88 0.89 0.59 2.57 2.07 -1.40 -1.16 116.25 118.93 3bg5 h VAL 914 Ca -0.06 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3bg5 h VAL 914 Cb 0.76 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3bg5 h VAL 914 CO -0.05 0.12 -0.28 1.23 0.02 0.00 0.00 177.57 178.61 3bg5 h GLY 915 N 0.65 -0.82 -0.38 2.17 0.00 -0.26 -2.59 103.07 101.84 3bg5 h GLY 915 Ca 0.39 0.30 0.21 0.00 0.00 0.00 0.00 47.33 48.23 3bg5 h GLY 915 CO -0.15 -0.30 0.17 -0.55 0.00 0.00 0.00 176.54 175.71 3bg5 h ASP 916 N -0.79 -0.09 -0.90 0.19 3.45 0.19 0.04 116.42 118.51 3bg5 h ASP 916 Ca -0.08 0.19 0.06 0.00 0.43 0.00 0.00 57.03 57.63 3bg5 h ASP 916 Cb 0.60 0.28 -0.06 0.00 -0.56 0.00 0.00 39.33 39.59 3bg5 h ASP 916 CO 0.13 -0.15 0.57 0.24 -1.57 0.00 0.00 179.24 178.46 3bg5 h MET 917 N 0.19 1.02 -0.36 3.56 2.86 -1.21 -2.08 114.93 118.91 3bg5 h MET 917 Ca 0.50 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 58.01 3bg5 h MET 917 Cb 0.96 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3bg5 h MET 917 CO -0.64 0.67 -0.04 0.00 1.06 0.00 0.00 176.91 177.96 3bg5 h ALA 918 N 1.41 0.49 0.05 6.32 0.00 -0.58 0.39 119.26 127.34 3bg5 h ALA 918 Ca 0.38 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bg5 h ALA 918 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bg5 h ALA 918 CO -0.16 0.30 -0.06 -0.07 0.00 0.00 0.00 179.25 179.26 3bg5 h LEU 919 N 0.47 -0.17 -0.82 0.00 -0.00 -1.34 -2.68 115.31 110.78 3bg5 h LEU 919 Ca 0.10 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 58.13 3bg5 h LEU 919 Cb 0.52 0.06 -0.14 0.00 -0.00 0.00 0.00 40.66 41.09 3bg5 h LEU 919 CO 0.03 -0.08 -0.36 0.22 -0.00 0.00 0.00 178.44 178.25 3bg5 h TYR 920 N -0.11 -1.01 -0.60 1.13 3.20 -1.40 -1.01 116.97 117.16 3bg5 h TYR 920 Ca -0.01 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3bg5 h TYR 920 Cb 0.10 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3bg5 h TYR 920 CO -0.11 -0.39 0.39 1.98 -1.64 0.00 0.00 178.16 178.38 3bg5 h MET 921 N -0.07 0.80 -0.25 1.82 4.05 -0.93 -0.58 114.93 119.77 3bg5 h MET 921 Ca 0.30 -0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.49 3bg5 h MET 921 Cb 0.58 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 3bg5 h MET 921 CO -0.85 0.55 -0.54 0.28 0.23 0.00 0.00 176.91 176.57 3bg5 h VAL 922 N 0.82 1.29 0.85 -5.77 2.07 -1.09 0.57 116.25 114.99 3bg5 h VAL 922 Ca 0.22 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 3bg5 h VAL 922 Cb -0.07 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3bg5 h VAL 922 CO -0.05 0.56 -0.43 -0.61 0.02 0.00 0.00 177.57 177.07 3bg5 h GLN 923 N 0.58 -1.12 -0.86 1.57 4.15 -0.82 -2.89 115.11 115.72 3bg5 h GLN 923 Ca 0.01 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3bg5 h GLN 923 Cb 1.13 0.25 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3bg5 h GLN 923 CO 0.11 -0.75 0.00 0.09 -1.93 0.00 0.00 178.83 176.36 3bg5 n ASN 924 N -5.19 0.89 -3.91 -0.69 3.02 -0.26 -4.89 115.26 104.24 3bg5 n ASN 924 Ca -0.14 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.15 3bg5 n ASN 924 Cb 0.46 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.06 -0.60 -4.93 6.41 8.00 -0.91 -4.97 116.55 119.49 3bg5 n ASP 925 Ca 0.00 -0.98 -0.26 0.00 0.71 0.00 0.00 54.79 54.26 3bg5 n ASP 925 Cb 0.22 -3.20 -0.02 0.00 -0.02 0.00 0.00 41.12 38.10 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 -6.91 4.09 0.00 0.64 2.01 0.19 -5.02 118.68 113.69 3bg5 s LEU 926 Ca 0.02 0.48 0.02 0.00 0.01 0.00 0.00 54.13 54.66 3bg5 s LEU 926 Cb -0.01 -3.31 0.02 0.00 0.01 0.00 0.00 46.19 42.90 3bg5 s LEU 926 CO 0.88 -0.20 0.16 0.47 1.01 0.00 0.00 176.35 178.67 3bg5 n ASP 927 N -1.30 1.91 -0.00 2.29 8.00 -1.26 -4.76 116.55 121.43 3bg5 n ASP 927 Ca -0.04 -1.89 -0.07 0.00 0.71 0.00 0.00 54.79 53.50 3bg5 n ASP 927 Cb 0.55 0.01 0.11 0.00 -0.02 0.00 0.00 41.12 41.76 3bg5 n ASP 927 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3bg5 h GLU 928 N 0.00 0.55 0.19 -1.24 3.07 -2.00 -3.08 114.58 112.07 3bg5 h GLU 928 Ca -0.16 -0.28 -0.33 0.00 -0.50 0.00 0.00 59.36 58.08 3bg5 h GLU 928 Cb 0.58 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3bg5 h GLU 928 CO 0.26 0.87 -1.62 1.96 -1.40 0.00 0.00 179.01 179.08 3bg5 h GLN 929 N 0.45 0.40 0.00 2.33 7.50 -2.02 -3.36 115.11 120.42 3bg5 h GLN 929 Ca 0.04 -0.69 0.00 0.00 0.50 0.00 0.00 58.65 58.50 3bg5 h GLN 929 Cb 0.91 0.26 0.00 0.00 0.05 0.00 0.00 27.48 28.70 3bg5 h GLN 929 CO 0.08 1.33 0.00 0.77 -1.50 0.00 0.00 178.83 179.51 3bg5 h SER 930 N 0.04 0.00 1.59 1.46 0.02 -1.94 -2.77 113.55 111.95 3bg5 h SER 930 Ca -0.32 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 3bg5 h SER 930 Cb 2.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.58 3bg5 h SER 930 CO 0.18 0.00 -0.42 1.62 -1.14 0.00 0.00 176.83 177.07 3bg5 h VAL 931 N 0.00 0.35 0.00 2.27 3.04 -1.68 -2.44 116.25 117.80 3bg5 h VAL 931 Ca 0.00 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.16 3bg5 h VAL 931 Cb 0.43 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.81 3bg5 h VAL 931 CO 0.00 0.20 -0.08 0.40 -1.01 0.00 0.00 177.57 177.08 3bg5 h ILE 932 N 0.00 0.36 -0.22 3.17 2.04 -1.68 -3.14 117.51 118.05 3bg5 h ILE 932 Ca -0.01 -1.28 0.06 0.00 1.00 0.00 0.00 64.86 64.62 3bg5 h ILE 932 Cb 1.19 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 3bg5 h ILE 932 CO 0.03 0.12 -0.31 0.74 0.00 0.00 0.00 178.15 178.73 3bg5 h THR 933 N -1.00 0.28 -0.01 -0.27 2.02 -1.61 -2.27 112.91 110.06 3bg5 h THR 933 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3bg5 h THR 933 Cb 0.27 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3bg5 h THR 933 CO -0.01 0.00 -0.10 0.47 0.37 0.00 0.00 175.52 176.25 3bg5 n ASP 934 N -5.41 0.73 0.25 4.18 10.43 -0.92 -4.47 116.55 121.35 3bg5 n ASP 934 Ca -0.02 -0.87 0.10 0.00 2.57 0.00 0.00 54.79 56.57 3bg5 n ASP 934 Cb 0.32 -0.01 0.68 0.00 1.84 0.00 0.00 41.12 43.95 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 4.94 0.00 2.00 0.44 0.00 -1.35 -2.63 103.07 106.47 3bg5 h GLY 935 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bg5 h GLY 935 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.54 176.64 3bg5 h TYR 936 N 0.00 0.00 -0.00 5.60 -0.00 -1.78 -2.66 116.97 118.13 3bg5 h TYR 936 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3bg5 h TYR 936 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.80 3bg5 h TYR 936 CO 0.00 0.00 -0.02 0.36 -0.00 0.00 0.00 178.16 178.50 3bg5 n LYS 937 N -2.91 1.03 -0.06 0.10 2.85 -1.00 -4.89 118.16 113.29 3bg5 n LYS 937 Ca -0.02 -0.45 -0.15 0.00 -1.05 0.00 0.00 58.31 56.64 3bg5 n LYS 937 Cb 0.10 -0.92 -0.06 0.00 -0.65 0.00 0.00 35.03 33.50 3bg5 n LYS 937 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3bg5 h LEU 938 N 0.25 0.78 -2.44 -5.58 3.38 -1.45 -3.49 115.31 106.75 3bg5 h LEU 938 Ca 0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3bg5 h LEU 938 Cb 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3bg5 h LEU 938 CO 0.00 1.20 -0.62 -0.67 0.09 0.00 0.00 178.44 178.44 3bg5 n ASP 939 N -4.16 -5.99 -4.88 -0.43 -0.08 -1.26 -5.03 116.55 94.72 3bg5 n ASP 939 Ca -0.06 0.89 -0.30 0.00 -1.51 0.00 0.00 54.79 53.81 3bg5 n ASP 939 Cb 0.59 -3.88 -0.01 0.00 2.34 0.00 0.00 41.12 40.16 3bg5 n ASP 939 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3bg5 s PHE 940 N -1.18 3.56 0.58 -0.67 0.40 -1.26 -5.03 117.98 114.37 3bg5 s PHE 940 Ca 0.02 1.13 -0.21 0.00 -0.60 0.00 0.00 56.93 57.27 3bg5 s PHE 940 Cb -0.00 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 3bg5 s PHE 940 CO 0.52 -0.42 1.33 -2.30 0.70 0.00 0.00 175.22 175.05 3bg5 n PRO 941 N -2.20 1.50 -0.27 0.24 -0.02 -1.26 -4.85 135.00 128.14 3bg5 n PRO 941 Ca 0.04 0.56 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 3bg5 n PRO 941 Cb 0.54 -2.55 0.18 0.00 -0.02 0.00 0.00 33.50 31.65 3bg5 n PRO 941 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bg5 h GLU 942 N 1.14 0.58 -0.93 -0.52 4.57 -2.00 -2.51 114.58 114.91 3bg5 h GLU 942 Ca -0.51 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 57.69 3bg5 h GLU 942 Cb 1.32 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.71 3bg5 h GLU 942 CO 0.56 0.39 0.60 0.66 -1.18 0.00 0.00 179.01 180.03 3bg5 h SER 943 N 0.60 0.96 -0.17 1.04 4.64 -1.97 0.12 113.55 118.77 3bg5 h SER 943 Ca 0.41 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 3bg5 h SER 943 Cb 0.52 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3bg5 h SER 943 CO -0.33 0.63 -0.13 1.62 -0.87 0.00 0.00 176.83 177.76 3bg5 h VAL 944 N 1.11 1.33 -0.35 0.95 3.04 -1.76 -0.70 116.25 119.86 3bg5 h VAL 944 Ca 0.40 -1.24 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 3bg5 h VAL 944 Cb 0.12 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 3bg5 h VAL 944 CO -0.16 0.37 -0.09 -0.37 -1.01 0.00 0.00 177.57 176.31 3bg5 h VAL 945 N 0.06 1.23 -0.72 1.51 -1.51 -1.24 -0.60 116.25 114.99 3bg5 h VAL 945 Ca 0.03 -1.02 -0.02 0.00 -1.23 0.00 0.00 66.70 64.46 3bg5 h VAL 945 Cb 0.64 1.07 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 3bg5 h VAL 945 CO 0.03 0.34 0.38 -1.28 -1.23 0.00 0.00 177.57 175.81 3bg5 h SER 946 N 0.55 0.91 0.16 4.19 0.87 -0.70 -0.43 113.55 119.09 3bg5 h SER 946 Ca 0.10 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3bg5 h SER 946 Cb 0.49 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3bg5 h SER 946 CO 0.03 0.76 -0.10 0.15 -0.53 0.00 0.00 176.83 177.13 3bg5 h PHE 947 N 0.99 -0.27 0.00 2.24 3.04 -0.31 -1.75 116.94 120.88 3bg5 h PHE 947 Ca 0.25 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.20 3bg5 h PHE 947 Cb 0.07 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.67 3bg5 h PHE 947 CO 0.00 -0.17 0.00 1.19 -2.02 0.00 0.00 178.31 177.32 3bg5 n PHE 948 N -5.22 0.54 1.39 0.41 3.01 -0.31 -1.29 117.46 116.00 3bg5 n PHE 948 Ca -0.08 0.20 0.14 0.00 1.01 0.00 0.00 57.45 58.72 3bg5 n PHE 948 Cb 0.14 -0.83 0.55 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.98 0.84 -0.84 -1.08 4.81 -0.19 -4.78 118.16 114.93 3bg5 n LYS 949 Ca 0.03 -0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 3bg5 n LYS 949 Cb 0.24 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.80 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 1.27 0.58 0.01 3.14 0.00 -0.41 -0.77 105.19 109.01 3bg5 n GLY 950 Ca 0.15 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.84 0.01 -0.05 1.61 1.02 -0.68 -1.83 120.64 117.88 3bg5 n GLU 951 Ca 0.00 0.22 0.07 0.00 -0.02 0.00 0.00 57.16 57.43 3bg5 n GLU 951 Cb 0.00 -1.52 0.10 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.55 1.61 0.00 -3.67 -0.00 -1.26 -4.84 119.36 109.66 3bg5 n ILE 952 Ca 0.04 -1.88 0.00 0.00 -0.00 0.00 0.00 62.75 60.91 3bg5 n ILE 952 Cb 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 39.64 39.83 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 -1.15 0.46 3.67 7.39 0.00 -0.76 -4.79 105.19 110.01 3bg5 n GLY 953 Ca 0.11 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.27 4.16 0.59 1.61 -1.52 -1.26 -4.68 119.66 117.29 3bg5 s GLN 954 Ca 0.00 0.13 -0.16 0.00 -1.95 0.00 0.00 55.36 53.38 3bg5 s GLN 954 Cb 0.00 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 3bg5 s GLN 954 CO 0.00 -0.02 1.08 -1.25 -0.25 0.00 0.00 175.29 174.84 3bg5 s PRO 955 N 1.27 3.25 0.23 2.91 0.04 -1.26 -4.75 135.00 136.69 3bg5 s PRO 955 Ca 0.17 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 3bg5 s PRO 955 Cb -0.15 -2.02 0.32 0.00 0.04 0.00 0.00 34.50 32.69 3bg5 s PRO 955 CO 0.07 -0.88 1.61 0.28 0.04 0.00 0.00 177.00 178.13 3bg5 h VAL 956 N 0.55 0.28 -0.16 -0.36 2.07 -1.92 -1.51 116.25 115.20 3bg5 h VAL 956 Ca -0.47 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3bg5 h VAL 956 Cb 1.23 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3bg5 h VAL 956 CO 0.57 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.75 3bg5 n ASN 957 N -5.47 1.71 -0.67 0.57 5.03 -1.26 -5.05 115.26 110.13 3bg5 n ASN 957 Ca 0.10 -1.71 0.02 0.00 0.87 0.00 0.00 54.58 53.87 3bg5 n ASN 957 Cb 0.39 -0.10 -0.01 0.00 -1.02 0.00 0.00 39.78 39.04 3bg5 n ASN 957 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 958 N 1.14 -1.50 3.79 7.41 0.00 -0.57 -4.88 105.19 110.58 3bg5 n GLY 958 Ca 0.16 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.33 3.28 -0.06 1.61 0.40 -1.26 -4.80 117.98 116.82 3bg5 s PHE 959 Ca 0.00 0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 56.22 3bg5 s PHE 959 Cb 0.00 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 3bg5 s PHE 959 CO 0.00 0.55 1.57 1.21 0.70 0.00 0.00 175.22 179.25 3bg5 s ASN 960 N -1.88 6.72 0.15 1.36 3.04 -1.26 -4.93 114.94 118.15 3bg5 s ASN 960 Ca 0.24 2.15 -0.16 0.00 0.04 0.00 0.00 52.86 55.13 3bg5 s ASN 960 Cb -0.12 -2.54 0.04 0.00 -1.54 0.00 0.00 41.25 37.10 3bg5 s ASN 960 CO 0.16 -0.88 1.76 0.11 -3.04 0.00 0.00 177.10 175.21 3bg5 h LYS 961 N 9.10 0.29 -0.37 0.43 1.57 -1.98 0.80 116.57 126.40 3bg5 h LYS 961 Ca -0.37 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 3bg5 h LYS 961 Cb 1.17 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3bg5 h LYS 961 CO 0.95 0.19 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.43 3bg5 h ASP 962 N 0.30 0.78 -0.16 0.86 3.32 -1.99 1.00 116.42 120.54 3bg5 h ASP 962 Ca 0.15 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.83 3bg5 h ASP 962 Cb 0.10 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3bg5 h ASP 962 CO -0.14 1.00 -0.00 0.25 -1.72 0.00 0.00 179.24 178.63 3bg5 h LEU 963 N 0.56 -0.07 -0.47 1.55 7.12 -1.92 -0.51 115.31 121.57 3bg5 h LEU 963 Ca 0.09 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 3bg5 h LEU 963 Cb 0.70 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.87 3bg5 h LEU 963 CO 0.05 -0.01 0.29 -0.61 -0.13 0.00 0.00 178.44 178.03 3bg5 h GLN 964 N 0.05 0.63 -0.30 1.25 4.15 -0.70 -1.49 115.11 118.70 3bg5 h GLN 964 Ca 0.08 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3bg5 h GLN 964 Cb 0.09 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3bg5 h GLN 964 CO -0.13 0.45 0.17 0.00 -1.93 0.00 0.00 178.83 177.39 3bg5 h ALA 965 N 1.14 0.38 -0.44 3.38 0.00 -0.49 0.27 119.26 123.50 3bg5 h ALA 965 Ca 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3bg5 h ALA 965 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3bg5 h ALA 965 CO -0.03 -0.20 0.05 0.28 0.00 0.00 0.00 179.25 179.35 3bg5 h VAL 966 N 0.35 1.21 0.16 0.00 2.07 -0.95 -2.60 116.25 116.50 3bg5 h VAL 966 Ca 0.12 -0.82 -0.22 0.00 0.82 0.00 0.00 66.70 66.60 3bg5 h VAL 966 Cb 0.01 0.82 0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3bg5 h VAL 966 CO -0.06 0.29 -1.02 0.40 0.02 0.00 0.00 177.57 177.20 3bg5 h ILE 967 N 0.65 1.40 0.00 4.57 2.04 -0.85 -3.36 117.51 121.96 3bg5 h ILE 967 Ca 0.14 -2.55 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 3bg5 h ILE 967 Cb 0.33 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 3bg5 h ILE 967 CO 0.01 0.73 -0.39 -0.07 0.00 0.00 0.00 178.15 178.43 3bg5 h LEU 968 N -0.28 0.00 0.94 1.44 3.38 -0.50 -3.47 115.31 116.83 3bg5 h LEU 968 Ca -0.19 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.41 3bg5 h LEU 968 Cb 1.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 3bg5 h LEU 968 CO 0.16 0.39 -0.55 0.29 0.09 0.00 0.00 178.44 178.82 3bg5 n LYS 969 N -3.73 -3.83 0.00 1.13 5.02 -0.98 -2.27 118.16 113.51 3bg5 n LYS 969 Ca -0.01 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 3bg5 n LYS 969 Cb 0.47 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 3bg5 n LYS 969 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bg5 n GLY 970 N -1.27 2.32 3.61 0.72 0.00 -1.26 -5.10 105.19 104.21 3bg5 n GLY 970 Ca -0.07 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3bg5 n GLY 970 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bg5 n GLN 971 N 0.00 0.41 -3.51 1.61 6.02 -0.96 -4.98 117.38 115.97 3bg5 n GLN 971 Ca 0.00 0.20 -0.38 0.00 -0.01 0.00 0.00 57.00 56.81 3bg5 n GLN 971 Cb 0.00 -2.21 -0.06 0.00 1.02 0.00 0.00 30.24 28.99 3bg5 n GLN 971 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3bg5 s GLU 972 N -3.43 3.95 0.30 -1.09 2.02 -1.26 -4.92 118.70 114.28 3bg5 s GLU 972 Ca 0.72 0.37 -0.22 0.00 0.02 0.00 0.00 54.97 55.85 3bg5 s GLU 972 Cb -0.33 -3.25 -0.09 0.00 0.10 0.00 0.00 34.13 30.55 3bg5 s GLU 972 CO 0.52 0.62 0.85 0.00 0.02 0.00 0.00 175.26 177.26 3bg5 s ALA 973 N -0.82 3.27 0.51 5.21 0.00 -1.26 -4.92 121.76 123.75 3bg5 s ALA 973 Ca 0.23 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3bg5 s ALA 973 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 3bg5 s ALA 973 CO 0.12 0.24 1.04 -0.51 0.00 0.00 0.00 175.76 176.65 3bg5 s LEU 974 N -2.25 3.77 -0.22 0.00 1.43 0.05 -5.00 118.68 116.47 3bg5 s LEU 974 Ca 0.49 1.89 -0.16 0.00 -1.03 0.00 0.00 54.13 55.32 3bg5 s LEU 974 Cb -0.16 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.42 3bg5 s LEU 974 CO 0.21 -0.84 -0.29 0.41 0.23 0.00 0.00 176.35 176.06 3bg5 n THR 975 N -1.21 1.51 -1.77 5.49 -1.04 -1.26 -4.72 114.28 111.28 3bg5 n THR 975 Ca 0.09 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.75 3bg5 n THR 975 Cb 0.53 -2.16 0.11 0.00 -1.82 0.00 0.00 70.33 66.99 3bg5 n THR 975 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bg5 s ALA 976 N -2.70 2.32 0.43 2.41 0.00 -1.26 -4.98 121.76 117.98 3bg5 s ALA 976 Ca -0.31 -0.61 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 3bg5 s ALA 976 Cb 0.08 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 3bg5 s ALA 976 CO 0.44 -1.91 1.35 2.89 0.00 0.00 0.00 175.76 178.53 3bg5 n ARG 977 N -3.49 2.10 0.32 0.00 1.85 -1.26 -4.87 116.66 111.31 3bg5 n ARG 977 Ca 0.07 0.75 0.19 0.00 -1.00 0.00 0.00 57.85 57.86 3bg5 n ARG 977 Cb 0.60 -2.50 0.98 0.00 -1.05 0.00 0.00 32.46 30.49 3bg5 n ARG 977 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3bg5 h PRO 978 N 2.21 0.00 0.00 2.89 0.11 -1.88 -1.70 132.00 133.63 3bg5 h PRO 978 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bg5 h PRO 978 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bg5 h PRO 978 CO 0.61 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 3bg5 n GLY 979 N -1.19 -1.56 0.15 -0.55 0.00 -1.26 -2.57 105.19 98.20 3bg5 n GLY 979 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3bg5 n GLY 979 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bg5 h GLU 980 N 0.00 0.00 -0.08 1.61 5.08 -1.67 -3.28 114.58 116.24 3bg5 h GLU 980 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bg5 h GLU 980 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3bg5 h GLU 980 CO 0.00 0.52 0.00 0.66 -1.00 0.00 0.00 179.01 179.19 3bg5 n TYR 981 N -3.33 0.10 -4.37 4.33 4.02 -1.06 -4.91 117.16 111.94 3bg5 n TYR 981 Ca 0.01 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.90 57.51 3bg5 n TYR 981 Cb 0.69 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.89 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 -1.71 3.36 0.14 7.72 1.43 -1.24 -5.06 118.68 123.33 3bg5 s LEU 982 Ca 0.34 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.07 3bg5 s LEU 982 Cb 0.18 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 3bg5 s LEU 982 CO 0.28 0.22 1.58 -0.70 0.23 0.00 0.00 176.35 177.96 3bg5 s GLU 983 N 0.09 4.21 0.32 1.70 2.56 -1.26 -4.82 118.70 121.50 3bg5 s GLU 983 Ca 0.00 2.35 -0.29 0.00 0.00 0.00 0.00 54.97 57.04 3bg5 s GLU 983 Cb -0.13 -3.26 -0.12 0.00 2.00 0.00 0.00 34.13 32.61 3bg5 s GLU 983 CO 0.02 -0.63 1.34 -0.35 -0.56 0.00 0.00 175.26 175.08 3bg5 n PRO 984 N 4.34 2.16 -2.52 4.30 -0.04 -1.26 -4.65 135.00 137.33 3bg5 n PRO 984 Ca 0.14 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.94 3bg5 n PRO 984 Cb 0.39 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 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 -0.84 4.26 -0.77 0.52 1.01 -1.26 -4.98 120.40 118.35 3bg5 s VAL 985 Ca 0.58 1.66 -0.24 0.00 0.00 0.00 0.00 61.98 63.98 3bg5 s VAL 985 Cb -0.58 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 31.79 3bg5 s VAL 985 CO 0.59 0.15 1.19 -0.62 0.00 0.00 0.00 175.10 176.41 3bg5 s ASP 986 N 0.88 6.25 0.52 3.32 3.68 -1.26 -4.87 116.67 125.19 3bg5 s ASP 986 Ca 0.55 -0.89 0.34 0.00 2.13 0.00 0.00 52.55 54.69 3bg5 s ASP 986 Cb -0.27 -2.50 1.49 0.00 -1.45 0.00 0.00 42.92 40.19 3bg5 s ASP 986 CO 0.30 -1.61 2.00 -0.26 0.13 0.00 0.00 175.17 175.73 3bg5 h PHE 987 N 9.76 0.00 -0.16 -5.34 0.05 -2.00 -2.65 116.94 116.60 3bg5 h PHE 987 Ca -0.18 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.58 3bg5 h PHE 987 Cb 1.05 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.99 3bg5 h PHE 987 CO 1.10 0.00 0.00 0.93 -0.18 0.00 0.00 178.31 180.17 3bg5 h GLU 988 N 0.00 0.28 -0.57 1.51 5.08 -2.00 -1.69 114.58 117.19 3bg5 h GLU 988 Ca 0.00 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3bg5 h GLU 988 Cb 0.38 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3bg5 h GLU 988 CO 0.00 0.50 0.33 0.87 -1.00 0.00 0.00 179.01 179.71 3bg5 h LYS 989 N 0.04 0.62 -0.35 2.33 1.79 -1.90 -1.78 116.57 117.33 3bg5 h LYS 989 Ca 0.05 -0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 3bg5 h LYS 989 Cb 0.37 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.81 3bg5 h LYS 989 CO 0.01 0.41 -0.06 0.28 -1.08 0.00 0.00 179.45 179.01 3bg5 h VAL 990 N 0.64 0.68 -0.67 0.50 2.07 -1.42 -0.86 116.25 117.20 3bg5 h VAL 990 Ca 0.24 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.79 3bg5 h VAL 990 Cb 0.07 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3bg5 h VAL 990 CO -0.12 0.01 0.40 -0.09 0.02 0.00 0.00 177.57 177.78 3bg5 h ARG 991 N 0.03 0.74 -0.55 1.57 2.43 -0.85 -1.79 114.38 115.98 3bg5 h ARG 991 Ca 0.17 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3bg5 h ARG 991 Cb 0.25 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3bg5 h ARG 991 CO -0.33 0.49 0.01 0.93 -1.51 0.00 0.00 179.97 179.56 3bg5 h GLU 992 N 0.77 0.92 0.52 0.20 5.08 -0.73 0.28 114.58 121.62 3bg5 h GLU 992 Ca 0.28 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3bg5 h GLU 992 Cb 0.09 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.24 3bg5 h GLU 992 CO -0.14 0.91 -0.25 1.25 -1.00 0.00 0.00 179.01 179.78 3bg5 h LEU 993 N 0.85 -0.59 -1.18 1.33 5.85 -0.89 -2.49 115.31 118.19 3bg5 h LEU 993 Ca 0.16 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3bg5 h LEU 993 Cb 0.49 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3bg5 h LEU 993 CO 0.02 -0.31 0.21 -0.07 -0.34 0.00 0.00 178.44 177.95 3bg5 h LEU 994 N -0.86 0.72 -1.03 2.25 3.38 -1.22 -1.82 115.31 116.72 3bg5 h LEU 994 Ca -0.07 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3bg5 h LEU 994 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3bg5 h LEU 994 CO 0.12 0.65 -0.48 -0.33 0.09 0.00 0.00 178.44 178.49 3bg5 h GLU 995 N 0.78 0.00 0.09 1.13 5.08 -0.98 -0.45 114.58 120.23 3bg5 h GLU 995 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3bg5 h GLU 995 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3bg5 h GLU 995 CO -0.02 0.48 -0.04 0.93 -1.00 0.00 0.00 179.01 179.36 3bg5 h GLU 996 N 0.00 -0.11 0.09 2.33 4.39 -1.00 -3.34 114.58 116.94 3bg5 h GLU 996 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bg5 h GLU 996 Cb 0.86 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3bg5 h GLU 996 CO 0.06 0.30 -0.05 0.93 -1.16 0.00 0.00 179.01 179.10 3bg5 h GLU 997 N -0.56 -0.12 -7.53 2.33 5.08 -1.18 -3.44 114.58 109.16 3bg5 h GLU 997 Ca -0.01 0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3bg5 h GLU 997 Cb 0.46 0.03 0.13 0.00 0.50 0.00 0.00 28.75 29.87 3bg5 h GLU 997 CO 0.02 -0.01 0.29 -0.65 -1.00 0.00 0.00 179.01 177.66 3bg5 s GLN 998 N -5.86 1.02 0.11 2.33 -0.21 -0.19 -5.01 119.66 111.84 3bg5 s GLN 998 Ca -0.14 -0.75 -0.33 0.00 0.02 0.00 0.00 55.36 54.17 3bg5 s GLN 998 Cb 0.05 -2.05 -0.12 0.00 1.00 0.00 0.00 33.01 31.89 3bg5 s GLN 998 CO 0.65 -2.05 1.57 -0.56 -2.12 0.00 0.00 175.29 172.79 3bg5 h GLN 999 N -1.20 -0.68 0.00 2.91 -0.00 -1.85 -3.45 115.11 110.85 3bg5 h GLN 999 Ca -0.41 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 3bg5 h GLN 999 Cb 1.24 0.15 0.00 0.00 -0.00 0.00 0.00 27.48 28.88 3bg5 h GLN 999 CO 0.38 -0.45 0.00 0.41 -0.00 0.00 0.00 178.83 179.17 3bg5 n GLY 1000N -1.48 -1.29 3.39 0.06 0.00 -1.25 -4.88 105.19 99.74 3bg5 n GLY 1000Ca -0.08 0.69 -0.59 0.00 0.00 0.00 0.00 46.02 46.04 3bg5 n GLY 1000CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bg5 n PRO 1001N 0.00 0.00 -3.81 1.61 -0.04 -1.26 -4.50 135.00 126.99 3bg5 n PRO 1001Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 3bg5 n PRO 1001Cb 0.00 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 31.90 3bg5 n PRO 1001CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg5 s VAL 1002N 1.06 -0.02 0.59 0.52 1.01 -1.26 -5.03 120.40 117.26 3bg5 s VAL 1002Ca 0.91 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.97 3bg5 s VAL 1002Cb -1.28 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 35.03 3bg5 s VAL 1002CO 0.63 0.03 0.83 0.42 0.00 0.00 0.00 175.10 177.01 3bg5 s THR 1003N 0.48 2.57 0.35 3.92 -4.23 -1.26 -4.98 115.64 112.48 3bg5 s THR 1003Ca -0.04 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 3bg5 s THR 1003Cb -0.05 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 71.04 3bg5 s THR 1003CO -0.02 0.00 1.97 -0.33 -0.54 0.00 0.00 174.62 175.70 3bg5 h GLU 1004N -0.08 0.74 -0.48 3.99 4.39 -2.02 -2.27 114.58 118.85 3bg5 h GLU 1004Ca -0.42 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 3bg5 h GLU 1004Cb 1.30 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 3bg5 h GLU 1004CO 0.53 0.55 0.23 1.96 -1.16 0.00 0.00 179.01 181.12 3bg5 h GLN 1005N 0.74 0.69 -0.44 2.33 4.20 -1.99 -1.24 115.11 119.41 3bg5 h GLN 1005Ca 0.19 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3bg5 h GLN 1005Cb 0.03 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 3bg5 h GLN 1005CO -0.03 0.58 0.02 -0.44 -0.67 0.00 0.00 178.83 178.29 3bg5 h ASP 1006N 0.63 -0.13 -0.21 1.46 3.32 -1.86 -0.74 116.42 118.89 3bg5 h ASP 1006Ca 0.16 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3bg5 h ASP 1006Cb 0.12 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3bg5 h ASP 1006CO -0.02 -0.03 0.13 0.40 -1.72 0.00 0.00 179.24 177.99 3bg5 h ILE 1007N 0.14 1.07 0.00 0.35 2.04 -0.86 0.64 117.51 120.89 3bg5 h ILE 1007Ca 0.22 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 3bg5 h ILE 1007Cb 0.31 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3bg5 h ILE 1007CO -0.34 0.07 -0.59 -0.29 0.00 0.00 0.00 178.15 177.00 3bg5 h ILE 1008N 0.26 1.31 -0.19 -0.67 6.09 -1.15 -1.98 117.51 121.17 3bg5 h ILE 1008Ca 0.07 -2.10 -0.19 0.00 -1.37 0.00 0.00 64.86 61.27 3bg5 h ILE 1008Cb 0.00 2.17 0.00 0.00 0.47 0.00 0.00 36.82 39.47 3bg5 h ILE 1008CO -0.01 0.58 -0.65 0.28 -3.07 0.00 0.00 178.15 175.27 3bg5 h SER 1009N 0.00 0.82 -0.18 2.19 0.02 -0.72 -1.08 113.55 114.60 3bg5 h SER 1009Ca -0.01 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 3bg5 h SER 1009Cb 1.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3bg5 h SER 1009CO 0.08 1.26 -0.01 0.22 -1.14 0.00 0.00 176.83 177.23 3bg5 h TYR 1010N 0.52 0.37 -0.75 3.45 3.20 -0.84 -0.18 116.97 122.74 3bg5 h TYR 1010Ca -0.02 -0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.90 3bg5 h TYR 1010Cb 1.25 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.34 3bg5 h TYR 1010CO 0.07 0.56 0.35 0.28 -1.64 0.00 0.00 178.16 177.77 3bg5 h VAL 1011N 0.07 0.76 -0.11 1.81 2.07 -1.26 -0.78 116.25 118.81 3bg5 h VAL 1011Ca 0.05 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3bg5 h VAL 1011Cb 0.42 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3bg5 h VAL 1011CO 0.01 0.10 -0.32 -0.07 0.02 0.00 0.00 177.57 177.32 3bg5 h LEU 1012N 0.55 0.47 -6.07 2.57 3.38 -1.11 -3.39 115.31 111.71 3bg5 h LEU 1012Ca 0.39 -0.59 -0.57 0.00 0.09 0.00 0.00 57.88 57.19 3bg5 h LEU 1012Cb 0.50 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.72 3bg5 h LEU 1012CO -0.33 0.98 -0.95 -1.22 0.09 0.00 0.00 178.44 177.02 3bg5 n TYR 1013N -4.40 0.87 -0.00 1.13 4.02 -0.09 -4.58 117.16 114.11 3bg5 n TYR 1013Ca -0.07 -3.74 -0.10 0.00 -0.01 0.00 0.00 57.90 53.97 3bg5 n TYR 1013Cb 0.49 -0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 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 4.08 -0.36 -0.23 -0.72 0.11 -1.34 0.31 132.00 133.83 3bg5 h PRO 1014Ca 0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3bg5 h PRO 1014Cb 0.81 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3bg5 h PRO 1014CO 0.58 -0.24 0.15 0.87 -0.21 0.00 0.00 178.00 179.15 3bg5 h LYS 1015N -0.38 0.31 -0.24 1.05 1.57 -1.95 -1.46 116.57 115.47 3bg5 h LYS 1015Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3bg5 h LYS 1015Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3bg5 h LYS 1015CO -0.28 0.21 0.11 0.28 -0.57 0.00 0.00 179.45 179.20 3bg5 h VAL 1016N 0.31 1.15 -0.31 0.50 2.07 -1.90 -1.26 116.25 116.80 3bg5 h VAL 1016Ca 0.08 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3bg5 h VAL 1016Cb -0.03 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3bg5 h VAL 1016CO -0.02 0.15 -0.10 0.22 0.02 0.00 0.00 177.57 177.84 3bg5 h TYR 1017N 0.24 -0.24 -0.88 1.57 3.20 -0.17 0.77 116.97 121.47 3bg5 h TYR 1017Ca 0.08 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3bg5 h TYR 1017Cb 0.14 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 3bg5 h TYR 1017CO -0.02 -0.17 0.53 0.93 -1.64 0.00 0.00 178.16 177.80 3bg5 h GLU 1018N -0.04 0.90 -0.21 1.82 4.39 -0.93 -1.04 114.58 119.46 3bg5 h GLU 1018Ca 0.15 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 3bg5 h GLU 1018Cb 0.27 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3bg5 h GLU 1018CO -0.34 0.59 -0.33 1.96 -1.16 0.00 0.00 179.01 179.74 3bg5 h GLN 1019N 0.92 0.44 -0.53 2.33 4.20 -0.64 -2.61 115.11 119.23 3bg5 h GLN 1019Ca 0.41 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3bg5 h GLN 1019Cb 0.29 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3bg5 h GLN 1019CO -0.21 0.72 0.31 -0.92 -0.67 0.00 0.00 178.83 178.05 3bg5 h TYR 1020N 0.38 0.71 -0.83 2.96 3.20 0.34 -2.25 116.97 121.48 3bg5 h TYR 1020Ca 0.05 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3bg5 h TYR 1020Cb 0.76 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3bg5 h TYR 1020CO 0.02 0.51 0.51 0.82 -1.64 0.00 0.00 178.16 178.37 3bg5 h ILE 1021N 0.71 1.23 -0.47 1.81 1.08 -1.08 -0.55 117.51 120.24 3bg5 h ILE 1021Ca 0.19 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.19 3bg5 h ILE 1021Cb 0.01 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.79 3bg5 h ILE 1021CO -0.03 0.24 0.28 1.56 -0.69 0.00 0.00 178.15 179.51 3bg5 h GLN 1022N 1.13 0.55 -0.35 2.37 1.08 -1.27 0.12 115.11 118.75 3bg5 h GLN 1022Ca 0.30 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.43 3bg5 h GLN 1022Cb -0.06 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 3bg5 h GLN 1022CO -0.06 0.37 0.08 1.15 -0.95 0.00 0.00 178.83 179.42 3bg5 h THR 1023N 0.57 1.23 -0.87 -0.54 2.02 -1.06 -1.48 112.91 112.78 3bg5 h THR 1023Ca 0.19 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.63 3bg5 h THR 1023Cb 0.01 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3bg5 h THR 1023CO -0.08 0.26 0.56 -0.09 0.37 0.00 0.00 175.52 176.54 3bg5 h ARG 1024N 0.41 1.03 -0.79 6.66 2.43 -0.79 0.20 114.38 123.53 3bg5 h ARG 1024Ca 0.11 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3bg5 h ARG 1024Cb 0.31 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3bg5 h ARG 1024CO 0.00 0.68 0.40 -0.91 -1.51 0.00 0.00 179.97 178.63 3bg5 h ASN 1025N 1.07 1.01 0.19 -3.80 -0.26 -0.51 -0.35 115.58 112.92 3bg5 h ASN 1025Ca 0.35 -0.11 -0.26 0.00 -0.56 0.00 0.00 56.30 55.73 3bg5 h ASN 1025Cb 0.04 -0.26 0.03 0.00 -1.06 0.00 0.00 38.32 37.07 3bg5 h ASN 1025CO -0.13 0.84 -1.13 -0.61 -1.06 0.00 0.00 177.43 175.34 3bg5 h GLN 1026N 1.12 0.44 0.00 0.81 4.15 -0.60 -3.41 115.11 117.61 3bg5 h GLN 1026Ca 0.28 -0.72 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3bg5 h GLN 1026Cb 0.08 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.04 3bg5 h GLN 1026CO -0.04 1.34 -0.15 0.66 -1.93 0.00 0.00 178.83 178.71 3bg5 n TYR 1027N -3.93 0.00 -4.10 3.99 0.53 0.64 -4.76 117.16 109.53 3bg5 n TYR 1027Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 3bg5 n TYR 1027Cb 0.95 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.26 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 1.18 -0.14 3.45 2.72 0.00 -0.14 -4.21 105.19 108.04 3bg5 n GLY 1028Ca 0.00 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.54 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 6.66 0.51 1.61 2.47 -1.26 -4.50 114.94 116.43 3bg5 s ASN 1029Ca 0.00 -2.13 0.28 0.00 0.42 0.00 0.00 52.86 51.43 3bg5 s ASN 1029Cb 0.00 -2.39 1.34 0.00 -1.45 0.00 0.00 41.25 38.75 3bg5 s ASN 1029CO 0.00 -1.02 2.01 -0.07 -3.72 0.00 0.00 177.10 174.30 3bg5 h LEU 1030N 10.23 0.00 -2.57 3.21 3.38 -1.84 -3.10 115.31 124.63 3bg5 h LEU 1030Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3bg5 h LEU 1030Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3bg5 h LEU 1030CO 1.10 0.13 0.00 0.77 0.09 0.00 0.00 178.44 180.53 3bg5 h SER 1031N 0.00 0.00 0.85 -0.43 4.64 -1.89 -1.38 113.55 115.34 3bg5 h SER 1031Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3bg5 h SER 1031Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3bg5 h SER 1031CO 0.02 0.00 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.41 3bg5 h LEU 1032N 0.00 0.00-10.05 5.97 3.38 -1.89 -3.38 115.31 109.34 3bg5 h LEU 1032Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3bg5 h LEU 1032Cb 0.14 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.02 3bg5 h LEU 1032CO 0.00 0.49 0.57 -0.76 0.09 0.00 0.00 178.44 178.84 3bg5 s LEU 1033N -7.14 3.85 0.57 1.67 1.43 -0.52 -4.44 118.68 114.10 3bg5 s LEU 1033Ca 0.00 2.65 -0.17 0.00 -1.03 0.00 0.00 54.13 55.58 3bg5 s LEU 1033Cb 0.11 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 3bg5 s LEU 1033CO 0.72 -1.49 1.08 1.51 0.23 0.00 0.00 176.35 178.40 3bg5 s ASP 1034N -1.09 5.75 0.12 2.29 1.47 -1.26 -4.82 116.67 119.12 3bg5 s ASP 1034Ca 0.71 1.96 -0.22 0.00 1.18 0.00 0.00 52.55 56.19 3bg5 s ASP 1034Cb -0.38 -2.55 -0.05 0.00 -0.34 0.00 0.00 42.92 39.60 3bg5 s ASP 1034CO 0.44 -1.19 1.70 0.74 0.68 0.00 0.00 175.17 177.53 3bg5 h THR 1035N 0.77 0.75 -0.84 2.11 2.02 -1.95 -0.94 112.91 114.83 3bg5 h THR 1035Ca -0.48 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.80 3bg5 h THR 1035Cb 1.24 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 3bg5 h THR 1035CO 0.57 0.00 0.55 -0.65 0.37 0.00 0.00 175.52 176.36 3bg5 h PRO 1036N -0.10 0.77 -0.24 6.66 0.11 -1.93 -0.57 132.00 136.71 3bg5 h PRO 1036Ca 0.07 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 3bg5 h PRO 1036Cb 0.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3bg5 h PRO 1036CO -0.17 0.51 -0.39 1.15 -0.21 0.00 0.00 178.00 178.89 3bg5 h THR 1037N 0.79 1.30 -0.50 -1.15 2.02 -1.58 -1.12 112.91 112.67 3bg5 h THR 1037Ca 0.39 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 3bg5 h THR 1037Cb 0.45 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3bg5 h THR 1037CO -0.16 0.48 0.10 0.15 0.37 0.00 0.00 175.52 176.47 3bg5 h PHE 1038N 0.46 0.79 0.00 3.16 3.57 0.19 -1.36 116.94 123.75 3bg5 h PHE 1038Ca 0.04 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 3bg5 h PHE 1038Cb 0.88 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3bg5 h PHE 1038CO 0.03 0.68 -1.46 1.19 -2.23 0.00 0.00 178.31 176.53 3bg5 n PHE 1039N -4.28 0.74 -0.08 0.41 0.99 -0.60 -4.67 117.46 109.98 3bg5 n PHE 1039Ca 0.03 0.23 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 3bg5 n PHE 1039Cb 0.23 -0.95 0.00 0.00 -1.00 0.00 0.00 39.48 37.76 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 -2.71 0.00 -0.51 1.38 3.01 -0.43 -4.54 117.46 113.66 3bg5 n PHE 1040Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3bg5 n PHE 1040Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 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 0.40 1.52 2.95 1.37 0.00 -0.52 -4.23 105.19 106.68 3bg5 n GLY 1041Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.23 0.40 1.61 1.00 -1.26 -4.38 119.30 116.89 3bg5 s MET 1042Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 55.69 55.16 3bg5 s MET 1042Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 34.83 34.82 3bg5 s MET 1042CO 0.00 -0.03 0.75 -0.98 0.00 0.00 0.00 175.02 174.76 3bg5 s ARG 1043N -1.02 3.76 0.26 2.03 1.70 -1.26 -4.90 118.95 119.52 3bg5 s ARG 1043Ca -0.11 0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.27 3bg5 s ARG 1043Cb -0.07 -2.41 -0.13 0.00 -0.57 0.00 0.00 34.95 31.77 3bg5 s ARG 1043CO -0.01 -0.02 1.33 0.09 -1.08 0.00 0.00 175.30 175.61 3bg5 n ASN 1044N -1.30 2.52 0.00 -2.89 5.03 -1.26 -2.13 115.26 115.23 3bg5 n ASN 1044Ca 0.02 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.63 3bg5 n ASN 1044Cb 0.54 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 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 1.74 1.24 3.80 7.41 0.00 0.28 -5.01 105.19 114.65 3bg5 n GLY 1045Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.32 4.40 -0.14 1.61 2.12 -0.90 -4.87 118.70 120.60 3bg5 s GLU 1046Ca 0.00 1.15 0.00 0.00 0.36 0.00 0.00 54.97 56.48 3bg5 s GLU 1046Cb 0.00 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 3bg5 s GLU 1046CO 0.00 0.22 -0.14 0.99 -0.54 0.00 0.00 175.26 175.79 3bg5 s THR 1047N -1.75 2.87 -0.05 -1.70 2.01 -1.26 -1.91 115.64 113.85 3bg5 s THR 1047Ca 0.52 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.86 3bg5 s THR 1047Cb -0.16 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 3bg5 s THR 1047CO 0.20 0.52 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.73 3bg5 s VAL 1048N 0.55 1.93 -0.29 3.82 1.01 0.41 -4.99 120.40 122.83 3bg5 s VAL 1048Ca -0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 3bg5 s VAL 1048Cb -0.16 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3bg5 s VAL 1048CO 0.04 0.54 0.05 -1.61 0.00 0.00 0.00 175.10 174.12 3bg5 s GLU 1049N -0.15 2.90 -0.30 2.72 2.02 -1.26 -1.21 118.70 123.43 3bg5 s GLU 1049Ca -0.03 -0.97 -0.22 0.00 0.02 0.00 0.00 54.97 53.77 3bg5 s GLU 1049Cb -0.13 -3.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 3bg5 s GLU 1049CO 0.03 -0.49 0.72 0.42 0.02 0.00 0.00 175.26 175.96 3bg5 s ILE 1050N 1.43 4.86 -0.50 -1.63 1.09 0.31 -4.87 121.20 121.88 3bg5 s ILE 1050Ca 0.01 1.09 -0.29 0.00 -1.10 0.00 0.00 60.65 60.36 3bg5 s ILE 1050Cb -0.18 -4.08 0.02 0.00 -1.06 0.00 0.00 42.46 37.17 3bg5 s ILE 1050CO 0.01 -0.18 1.27 -0.70 -0.10 0.00 0.00 174.94 175.24 3bg5 s GLU 1051N 2.80 3.55 0.30 2.79 2.56 -1.26 -0.55 118.70 128.88 3bg5 s GLU 1051Ca 0.30 0.56 0.05 0.00 0.00 0.00 0.00 54.97 55.87 3bg5 s GLU 1051Cb -0.15 -4.01 0.05 0.00 2.00 0.00 0.00 34.13 32.03 3bg5 s GLU 1051CO 0.12 -1.61 0.40 -0.89 -0.56 0.00 0.00 175.26 172.71 3bg5 n ILE 1052N 6.87 0.00 0.00 -3.70 5.41 -1.14 -4.92 119.36 121.89 3bg5 n ILE 1052Ca 0.12 -1.00 0.00 0.00 1.00 0.00 0.00 62.75 62.87 3bg5 n ILE 1052Cb 0.49 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3bg5 n ILE 1052CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3bg5 n ASP 1053N -2.61 0.00 -4.52 4.38 10.43 -1.26 -4.55 116.55 118.42 3bg5 n ASP 1053Ca 0.08 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 57.00 3bg5 n ASP 1053Cb 0.31 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.26 3bg5 n ASP 1053CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 3bg5 n LYS 1054N 0.00 0.90 0.00 -1.24 2.85 -1.26 -1.29 118.16 118.12 3bg5 n LYS 1054Ca 0.00 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 3bg5 n LYS 1054Cb 0.00 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 3bg5 n LYS 1054CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bg5 n GLY 1055N 1.52 2.07 3.60 2.58 0.00 -1.26 -4.99 105.19 108.71 3bg5 n GLY 1055Ca 0.11 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3bg5 n GLY 1055CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s LYS 1056N 0.00 3.83 0.00 1.61 0.00 -0.41 -5.11 119.74 119.67 3bg5 s LYS 1056Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 55.97 55.54 3bg5 s LYS 1056Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 37.83 34.72 3bg5 s LYS 1056CO 0.00 0.30 0.07 -0.98 0.00 0.00 0.00 175.35 174.73 3bg5 s ARG 1057N 0.28 0.36 -0.23 1.78 1.70 -1.26 -2.86 118.95 118.71 3bg5 s ARG 1057Ca 0.02 -0.39 -0.17 0.00 -0.47 0.00 0.00 55.73 54.71 3bg5 s ARG 1057Cb -0.13 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.36 3bg5 s ARG 1057CO 0.01 -0.07 0.47 -1.17 -1.08 0.00 0.00 175.30 173.46 3bg5 s LEU 1058N -1.18 4.10 -0.34 -1.89 2.96 0.28 -4.92 118.68 117.70 3bg5 s LEU 1058Ca -0.13 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 3bg5 s LEU 1058Cb -0.07 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 44.02 3bg5 s LEU 1058CO 0.00 -0.20 0.16 -0.63 -1.32 0.00 0.00 176.35 174.37 3bg5 s ILE 1059N 1.86 4.47 -0.11 6.68 -1.09 -1.26 -0.53 121.20 131.23 3bg5 s ILE 1059Ca 0.21 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 3bg5 s ILE 1059Cb -0.15 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 3bg5 s ILE 1059CO 0.09 -0.07 -0.23 -0.63 -1.23 0.00 0.00 174.94 172.87 3bg5 s ILE 1060N 1.56 2.01 -0.07 2.92 1.01 -0.35 0.34 121.20 128.63 3bg5 s ILE 1060Ca 0.03 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.75 3bg5 s ILE 1060Cb -0.18 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3bg5 s ILE 1060CO 0.06 0.55 -0.24 -0.75 0.00 0.00 0.00 174.94 174.55 3bg5 s LYS 1061N 0.51 2.63 -0.30 2.79 2.36 0.59 -0.44 119.74 127.89 3bg5 s LYS 1061Ca -0.15 -0.87 -0.10 0.00 -2.55 0.00 0.00 55.97 52.30 3bg5 s LYS 1061Cb -0.17 -2.15 -0.02 0.00 -1.05 0.00 0.00 37.83 34.44 3bg5 s LYS 1061CO 0.05 0.31 0.15 -1.17 1.55 0.00 0.00 175.35 176.24 3bg5 s LEU 1062N 0.01 4.01 0.00 5.43 0.20 -0.80 -0.48 118.68 127.06 3bg5 s LEU 1062Ca -0.08 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.34 3bg5 s LEU 1062Cb -0.15 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 3bg5 s LEU 1062CO 0.05 -0.15 0.00 -0.62 -0.29 0.00 0.00 176.35 175.34 3bg5 n GLU 1063N 4.99 0.00 -4.15 1.98 1.02 0.26 0.10 120.64 124.85 3bg5 n GLU 1063Ca -0.14 0.32 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 3bg5 n GLU 1063Cb 0.50 -0.81 -0.07 0.00 -0.02 0.00 0.00 31.44 31.03 3bg5 n GLU 1063CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3bg5 s THR 1064N -0.98 0.00 -0.12 2.62 -4.23 -1.23 -3.88 115.64 107.81 3bg5 s THR 1064Ca 0.00 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3bg5 s THR 1064Cb 0.00 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.39 3bg5 s THR 1064CO 0.00 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.27 3bg5 s ILE 1065N -3.80 1.74 1.17 2.99 1.01 -1.26 -1.00 121.20 122.06 3bg5 s ILE 1065Ca 0.34 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 3bg5 s ILE 1065Cb 0.03 -1.56 0.29 0.00 0.01 0.00 0.00 42.46 41.22 3bg5 s ILE 1065CO 0.16 0.49 1.16 -1.54 0.00 0.00 0.00 174.94 175.20 3bg5 n SER 1066N 4.13 -1.56 -4.82 3.58 3.41 0.59 -4.95 113.62 114.00 3bg5 n SER 1066Ca -0.19 -1.25 -0.31 0.00 -0.26 0.00 0.00 58.87 56.86 3bg5 n SER 1066Cb 0.51 -1.01 0.06 0.00 -0.26 0.00 0.00 64.21 63.51 3bg5 n SER 1066CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3bg5 s GLU 1067N -5.60 2.65 0.06 4.33 0.41 -1.26 -4.57 118.70 114.73 3bg5 s GLU 1067Ca 0.72 0.80 -0.31 0.00 -0.41 0.00 0.00 54.97 55.78 3bg5 s GLU 1067Cb -0.06 -1.97 -0.06 0.00 -1.78 0.00 0.00 34.13 30.26 3bg5 s GLU 1067CO 0.54 -1.26 1.30 -2.14 -0.49 0.00 0.00 175.26 173.22 3bg5 s PRO 1068N -5.11 4.36 0.86 0.39 0.02 -1.26 -4.44 135.00 129.82 3bg5 s PRO 1068Ca 0.59 1.91 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 3bg5 s PRO 1068Cb -0.14 -3.37 0.13 0.00 0.02 0.00 0.00 34.50 31.14 3bg5 s PRO 1068CO 0.54 -0.39 1.22 0.16 -0.33 0.00 0.00 177.00 178.20 3bg5 s ASP 1069N 1.27 3.98 0.36 2.53 3.84 -0.58 -4.82 116.67 123.24 3bg5 s ASP 1069Ca 0.62 0.52 0.22 0.00 -0.00 0.00 0.00 52.55 53.90 3bg5 s ASP 1069Cb -0.32 -0.84 1.28 0.00 -1.38 0.00 0.00 42.92 41.66 3bg5 s ASP 1069CO 0.28 -2.21 1.45 -1.84 -0.00 0.00 0.00 175.17 172.86 3bg5 n GLU 1070N -3.45 -0.05 -1.29 2.11 0.28 -1.26 0.10 120.64 117.09 3bg5 n GLU 1070Ca 0.11 1.24 -0.30 0.00 -0.16 0.00 0.00 57.16 58.06 3bg5 n GLU 1070Cb 0.60 -2.28 0.13 0.00 1.43 0.00 0.00 31.44 31.32 3bg5 n GLU 1070CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3bg5 n ASN 1071N -4.95 5.86 0.00 -1.84 0.23 -1.26 -4.94 115.26 108.35 3bg5 n ASN 1071Ca 0.36 -3.71 0.00 0.00 -0.53 0.00 0.00 54.58 50.70 3bg5 n ASN 1071Cb 1.25 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3bg5 n ASN 1071CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bg5 n GLY 1072N -1.02 0.36 3.70 4.83 0.00 0.29 -4.97 105.19 108.37 3bg5 n GLY 1072Ca 0.61 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.32 7.04 0.13 1.61 0.01 -1.25 -2.12 114.94 118.03 3bg5 s ASN 1073Ca 0.00 1.26 -0.01 0.00 -0.71 0.00 0.00 52.86 53.40 3bg5 s ASN 1073Cb 0.00 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3bg5 s ASN 1073CO 0.00 -0.23 0.31 -0.13 -1.51 0.00 0.00 177.10 175.53 3bg5 s ARG 1074N 1.28 3.51 -0.16 -0.60 0.52 -0.29 -1.53 118.95 121.69 3bg5 s ARG 1074Ca 0.40 -0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 55.23 3bg5 s ARG 1074Cb -0.18 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 3bg5 s ARG 1074CO 0.18 0.51 -0.01 0.99 0.02 0.00 0.00 175.30 176.99 3bg5 s THR 1075N -1.66 4.18 -0.21 0.02 2.01 -1.26 -1.93 115.64 116.79 3bg5 s THR 1075Ca 0.37 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 3bg5 s THR 1075Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3bg5 s THR 1075CO 0.27 0.50 0.07 -0.63 -0.69 0.00 0.00 174.62 174.14 3bg5 s ILE 1076N 0.23 4.66 -0.49 1.82 1.01 -0.62 -0.30 121.20 127.52 3bg5 s ILE 1076Ca -0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 3bg5 s ILE 1076Cb -0.13 -3.14 0.08 0.00 0.01 0.00 0.00 42.46 39.28 3bg5 s ILE 1076CO 0.02 0.40 0.45 -0.31 0.00 0.00 0.00 174.94 175.50 3bg5 s TYR 1077N 0.91 3.21 0.25 3.97 1.51 -0.17 -2.50 117.35 124.52 3bg5 s TYR 1077Ca 0.04 -0.92 0.06 0.00 -1.01 0.00 0.00 57.07 55.24 3bg5 s TYR 1077Cb -0.14 -3.32 -0.03 0.00 -0.11 0.00 0.00 41.96 38.36 3bg5 s TYR 1077CO 0.03 -0.87 0.32 0.71 -1.11 0.00 0.00 175.55 174.63 3bg5 s TYR 1078N 1.80 3.36 -0.18 2.71 1.51 -0.02 -0.57 117.35 125.95 3bg5 s TYR 1078Ca 0.06 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 3bg5 s TYR 1078Cb -0.24 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.09 3bg5 s TYR 1078CO 0.07 0.45 -0.18 0.00 -1.11 0.00 0.00 175.55 174.78 3bg5 s ALA 1079N -2.02 2.27 -0.21 3.71 0.00 0.37 -1.56 121.76 124.32 3bg5 s ALA 1079Ca 0.34 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 3bg5 s ALA 1079Cb -0.09 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3bg5 s ALA 1079CO 0.28 -0.46 -0.11 1.41 0.00 0.00 0.00 175.76 176.87 3bg5 s MET 1080N 1.30 3.12 -1.49 0.00 1.75 -0.36 -0.30 119.30 123.32 3bg5 s MET 1080Ca 0.03 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 53.67 3bg5 s MET 1080Cb -0.14 -2.82 0.03 0.00 2.84 0.00 0.00 34.83 34.75 3bg5 s MET 1080CO -0.12 -0.24 0.40 0.09 -0.65 0.00 0.00 175.02 174.51 3bg5 n ASN 1081N 4.70 -0.58 -1.61 1.11 3.02 0.15 -1.25 115.26 120.81 3bg5 n ASN 1081Ca -0.19 -1.07 -0.15 0.00 -0.03 0.00 0.00 54.58 53.14 3bg5 n ASN 1081Cb 0.50 -2.68 -0.02 0.00 -0.61 0.00 0.00 39.78 36.97 3bg5 n ASN 1081CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 1082N -1.99 0.11 2.90 7.41 0.00 -1.26 -5.01 105.19 107.34 3bg5 n GLY 1082Ca -0.24 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.46 1.51 0.50 1.61 0.74 -0.38 -5.12 119.66 114.07 3bg5 s GLN 1083Ca 0.00 -0.41 -0.21 0.00 0.05 0.00 0.00 55.36 54.78 3bg5 s GLN 1083Cb 0.00 -1.84 -0.08 0.00 1.10 0.00 0.00 33.01 32.19 3bg5 s GLN 1083CO 0.00 -0.36 0.96 0.00 -0.55 0.00 0.00 175.29 175.35 3bg5 n ALA 1084N 4.90 0.14 -3.63 1.58 0.00 -1.26 -1.23 120.51 121.00 3bg5 n ALA 1084Ca -0.12 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3bg5 n ALA 1084Cb 0.49 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.79 3bg5 n ALA 1084CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bg5 s ARG 1085N -2.32 0.71 -0.01 0.00 6.06 -0.60 -4.86 118.95 117.93 3bg5 s ARG 1085Ca 0.68 0.88 0.06 0.00 -2.50 0.00 0.00 55.73 54.85 3bg5 s ARG 1085Cb -0.49 0.33 -0.02 0.00 0.06 0.00 0.00 34.95 34.83 3bg5 s ARG 1085CO 0.53 -0.09 -0.21 1.03 -2.50 0.00 0.00 175.30 174.06 3bg5 s ARG 1086N 0.46 1.63 0.03 5.12 0.52 -1.26 -0.84 118.95 124.61 3bg5 s ARG 1086Ca -0.00 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 3bg5 s ARG 1086Cb -0.05 -1.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.80 3bg5 s ARG 1086CO -0.03 0.44 -0.09 0.42 0.02 0.00 0.00 175.30 176.05 3bg5 s ILE 1087N -0.52 0.71 -0.19 1.52 -1.09 -1.04 -4.99 121.20 115.59 3bg5 s ILE 1087Ca 0.08 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 3bg5 s ILE 1087Cb -0.08 -0.69 -0.02 0.00 -1.58 0.00 0.00 42.46 40.09 3bg5 s ILE 1087CO -0.00 -0.16 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.21 3bg5 s TYR 1088N -0.96 3.01 -0.05 3.97 1.51 -1.26 -1.59 117.35 121.98 3bg5 s TYR 1088Ca -0.04 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 3bg5 s TYR 1088Cb -0.08 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 39.72 3bg5 s TYR 1088CO 0.01 -0.24 -0.19 0.42 -1.11 0.00 0.00 175.55 174.43 3bg5 s ILE 1089N 0.89 1.61 -0.05 2.71 1.09 -0.81 -4.99 121.20 121.65 3bg5 s ILE 1089Ca 0.00 -0.81 -0.30 0.00 -1.10 0.00 0.00 60.65 58.44 3bg5 s ILE 1089Cb -0.14 -1.38 -0.04 0.00 -1.06 0.00 0.00 42.46 39.83 3bg5 s ILE 1089CO 0.02 0.46 1.39 -0.75 -0.10 0.00 0.00 174.94 175.96 3bg5 s LYS 1090N 0.04 4.26 -0.16 2.79 2.47 -1.26 -1.13 119.74 126.75 3bg5 s LYS 1090Ca -0.05 1.91 -0.24 0.00 -1.56 0.00 0.00 55.97 56.03 3bg5 s LYS 1090Cb -0.13 -3.69 -0.02 0.00 -1.46 0.00 0.00 37.83 32.53 3bg5 s LYS 1090CO 0.03 -0.64 0.75 0.34 0.16 0.00 0.00 175.35 175.99 3bg5 s ASP 1091N 2.13 6.89 -0.16 1.43 3.68 -0.90 -4.89 116.67 124.85 3bg5 s ASP 1091Ca 0.63 1.09 0.04 0.00 2.13 0.00 0.00 52.55 56.44 3bg5 s ASP 1091Cb -0.29 -2.42 0.34 0.00 -1.45 0.00 0.00 42.92 39.11 3bg5 s ASP 1091CO 0.24 -0.31 1.25 -0.62 0.13 0.00 0.00 175.17 175.86 3bg5 n GLU 1092N 4.90 2.19 -3.42 4.34 1.02 -1.26 -4.94 120.64 123.47 3bg5 n GLU 1092Ca 0.02 -1.42 -0.10 0.00 -0.02 0.00 0.00 57.16 55.64 3bg5 n GLU 1092Cb 0.50 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 3bg5 n GLU 1092CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bg5 s ASN 1093N -0.20 0.24 0.00 1.62 2.20 -1.26 -5.17 114.94 112.37 3bg5 s ASN 1093Ca 0.26 0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.51 3bg5 s ASN 1093Cb 0.21 1.09 0.00 0.00 -2.00 0.00 0.00 41.25 40.55 3bg5 s ASN 1093CO 0.06 -0.29 0.00 0.29 -2.94 0.00 0.00 177.10 174.22 3bg5 n LYS 1101N 5.37 0.00 -2.31 3.55 4.76 -1.26 -5.09 118.16 123.18 3bg5 n LYS 1101Ca -0.05 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.04 3bg5 n LYS 1101Cb 0.50 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.68 3bg5 n LYS 1101CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3bg5 s PRO 1102N 0.00 3.49 -0.11 1.97 0.04 -1.26 -4.97 135.00 134.16 3bg5 s PRO 1102Ca 0.00 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 3bg5 s PRO 1102Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3bg5 s PRO 1102CO 0.00 -0.73 0.47 -1.59 0.04 0.00 0.00 177.00 175.18 3bg5 s LYS 1103N -3.19 4.32 0.50 4.56 0.00 -1.26 -2.54 119.74 122.13 3bg5 s LYS 1103Ca 0.70 0.44 -0.22 0.00 0.00 0.00 0.00 55.97 56.89 3bg5 s LYS 1103Cb -0.23 -3.43 -0.06 0.00 0.00 0.00 0.00 37.83 34.11 3bg5 s LYS 1103CO 0.27 0.18 1.19 0.00 0.00 0.00 0.00 175.35 177.00 3bg5 s ALA 1104N 0.54 2.87 0.00 0.59 0.00 -0.84 -4.75 121.76 120.17 3bg5 s ALA 1104Ca 0.25 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 3bg5 s ALA 1104Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3bg5 s ALA 1104CO 0.10 -0.84 0.81 0.34 0.00 0.00 0.00 175.76 176.18 3bg5 s ASP 1105N -1.38 7.20 -0.57 0.00 2.15 -1.26 -4.82 116.67 118.00 3bg5 s ASP 1105Ca 0.67 1.44 0.04 0.00 0.43 0.00 0.00 52.55 55.14 3bg5 s ASP 1105Cb -0.30 -2.49 0.38 0.00 -0.30 0.00 0.00 42.92 40.21 3bg5 s ASP 1105CO 0.35 -0.11 1.20 1.17 -0.17 0.00 0.00 175.17 177.62 3bg5 n LYS 1106N 3.41 3.44 0.00 4.34 4.81 -1.26 -4.54 118.16 128.36 3bg5 n LYS 1106Ca 0.01 -4.54 0.00 0.00 -0.87 0.00 0.00 58.31 52.91 3bg5 n LYS 1106Cb 0.51 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.29 3bg5 n LYS 1106CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3bg5 n SER 1107N -0.38 0.00 0.00 3.14 3.41 -1.26 -5.09 113.62 113.44 3bg5 n SER 1107Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3bg5 n SER 1107Cb 0.50 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3bg5 n SER 1107CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3bg5 n ASN 1108N -2.06 0.00 -4.68 4.04 3.02 -1.26 -5.00 115.26 109.32 3bg5 n ASN 1108Ca 0.00 0.01 -0.45 0.00 -0.03 0.00 0.00 54.58 54.10 3bg5 n ASN 1108Cb 0.00 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 3bg5 n ASN 1108CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3bg5 n PRO 1109N -1.90 2.29 -1.95 3.52 -0.04 -1.26 -4.81 135.00 130.85 3bg5 n PRO 1109Ca 0.00 0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 3bg5 n PRO 1109Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 3bg5 n PRO 1109CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3bg5 n SER 1110N 3.77 4.16 -4.73 3.54 7.64 -1.26 -4.78 113.62 121.95 3bg5 n SER 1110Ca 0.17 -2.87 -0.23 0.00 1.01 0.00 0.00 58.87 56.95 3bg5 n SER 1110Cb 0.30 -1.68 0.10 0.00 -1.01 0.00 0.00 64.21 61.92 3bg5 n SER 1110CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3bg5 s HIS 1111N 3.36 1.81 -0.29 1.43 3.76 -1.26 -2.17 115.29 121.93 3bg5 s HIS 1111Ca 0.48 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 3bg5 s HIS 1111Cb 0.11 -2.95 0.06 0.00 1.11 0.00 0.00 32.58 30.91 3bg5 s HIS 1111CO -0.05 -1.57 -0.04 0.42 -0.85 0.00 0.00 174.74 172.65 3bg5 s ILE 1112N -3.08 2.62 0.12 0.60 1.01 0.78 -4.90 121.20 118.34 3bg5 s ILE 1112Ca 0.65 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 3bg5 s ILE 1112Cb -0.06 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.80 3bg5 s ILE 1112CO 0.43 -0.10 0.52 -0.83 0.00 0.00 0.00 174.94 174.97 3bg5 s GLY 1113N 1.19 2.47 0.24 6.18 0.00 -1.26 -2.88 107.32 113.26 3bg5 s GLY 1113Ca -0.06 -0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 3bg5 s GLY 1113CO -0.03 0.14 1.44 0.00 0.00 0.00 0.00 173.10 174.65 3bg5 s ALA 1114N -1.39 3.63 -0.40 3.20 0.00 -0.81 -4.79 121.76 121.19 3bg5 s ALA 1114Ca 0.35 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.66 3bg5 s ALA 1114Cb -0.15 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.46 3bg5 s ALA 1114CO 0.19 -0.73 0.75 1.04 0.00 0.00 0.00 175.76 177.00 3bg5 n GLN 1115N 2.44 0.48 -4.23 0.00 6.02 -1.26 0.59 117.38 121.42 3bg5 n GLN 1115Ca 0.07 -0.99 -0.25 0.00 -0.01 0.00 0.00 57.00 55.83 3bg5 n GLN 1115Cb 0.40 -1.07 -0.17 0.00 1.02 0.00 0.00 30.24 30.42 3bg5 n GLN 1115CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3bg5 s MET 1116N -0.50 1.46 -1.33 -1.09 -1.94 -1.26 -5.01 119.30 109.64 3bg5 s MET 1116Ca 0.05 -0.29 -0.10 0.00 -1.71 0.00 0.00 55.69 53.65 3bg5 s MET 1116Cb 0.03 -1.37 0.13 0.00 2.01 0.00 0.00 34.83 35.63 3bg5 s MET 1116CO 0.05 -0.11 2.05 -0.35 -0.01 0.00 0.00 175.02 176.64 3bg5 n PRO 1117N 4.33 3.62 0.00 2.03 -0.04 -1.26 -4.61 135.00 139.06 3bg5 n PRO 1117Ca -0.19 -3.30 0.00 0.00 -0.04 0.00 0.00 63.50 59.98 3bg5 n PRO 1117Cb 0.51 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 3bg5 n PRO 1117CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bg5 n GLY 1118N 2.91 5.33 3.27 0.55 0.00 -1.11 -4.92 105.19 111.21 3bg5 n GLY 1118Ca 0.46 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 1.00 2.52 0.05 1.61 0.01 -0.52 -0.60 113.70 117.77 3bg5 s SER 1119Ca 0.00 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 3bg5 s SER 1119Cb 0.00 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 3bg5 s SER 1119CO 0.00 0.11 1.02 -0.69 0.41 0.00 0.00 173.24 174.09 3bg5 s VAL 1120N -0.98 4.56 -0.27 3.43 1.01 -0.22 0.33 120.40 128.26 3bg5 s VAL 1120Ca 0.07 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.87 3bg5 s VAL 1120Cb -0.09 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 3bg5 s VAL 1120CO 0.03 0.20 -0.34 0.41 0.00 0.00 0.00 175.10 175.41 3bg5 n THR 1121N 3.49 1.51 -3.90 3.92 -1.04 0.42 -2.58 114.28 116.11 3bg5 n THR 1121Ca 0.05 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.05 61.48 3bg5 n THR 1121Cb 0.49 -1.80 -0.16 0.00 -1.82 0.00 0.00 70.33 67.05 3bg5 n THR 1121CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3bg5 s GLU 1122N -2.51 0.25 -0.38 -2.82 2.12 -1.01 -4.59 118.70 109.76 3bg5 s GLU 1122Ca -0.38 0.10 -0.15 0.00 0.36 0.00 0.00 54.97 54.89 3bg5 s GLU 1122Cb 0.14 -0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.08 3bg5 s GLU 1122CO 0.51 -0.15 0.34 0.54 -0.54 0.00 0.00 175.26 175.96 3bg5 s VAL 1123N 1.06 5.20 -0.63 3.70 0.11 -1.26 -1.93 120.40 126.65 3bg5 s VAL 1123Ca -0.09 -0.33 0.22 0.00 -2.93 0.00 0.00 61.98 58.85 3bg5 s VAL 1123Cb -0.13 -3.89 -0.24 0.00 -1.53 0.00 0.00 36.38 30.58 3bg5 s VAL 1123CO -0.02 -0.23 0.80 0.29 -3.33 0.00 0.00 175.10 172.61 3bg5 n LYS 1124N 5.31 0.25 -4.77 1.54 5.02 -1.10 -4.96 118.16 119.45 3bg5 n LYS 1124Ca -0.10 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.82 3bg5 n LYS 1124Cb 0.48 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 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 -3.20 2.70 0.59 -0.18 -7.23 -1.24 -5.00 120.40 106.85 3bg5 s VAL 1125Ca 0.02 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.06 3bg5 s VAL 1125Cb 0.15 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 35.03 3bg5 s VAL 1125CO 0.87 0.40 0.83 -0.55 -0.31 0.00 0.00 175.10 176.34 3bg5 s SER 1126N -1.24 5.14 0.19 4.85 0.15 -1.26 -4.92 113.70 116.61 3bg5 s SER 1126Ca 0.13 0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.63 3bg5 s SER 1126Cb -0.10 -0.86 0.14 0.00 -1.71 0.00 0.00 66.02 63.48 3bg5 s SER 1126CO 0.04 -1.27 1.57 0.58 1.20 0.00 0.00 173.24 175.36 3bg5 h VAL 1127N -0.09 0.12 -3.69 4.45 2.07 -1.92 -3.35 116.25 113.84 3bg5 h VAL 1127Ca -0.42 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.47 3bg5 h VAL 1127Cb 1.30 0.12 -0.38 0.00 -1.52 0.00 0.00 31.29 30.80 3bg5 h VAL 1127CO 0.53 0.00 -0.79 -0.83 0.02 0.00 0.00 177.57 176.50 3bg5 s GLY 1128N -3.18 1.38 -0.04 2.17 0.00 -1.25 -3.53 107.32 102.87 3bg5 s GLY 1128Ca -0.14 -1.48 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 3bg5 s GLY 1128CO 0.69 0.86 0.21 1.85 0.00 0.00 0.00 173.10 176.72 3bg5 s GLU 1129N 1.32 0.41 -0.09 2.90 2.12 -1.18 -5.02 118.70 119.16 3bg5 s GLU 1129Ca -0.06 -0.01 -0.27 0.00 0.36 0.00 0.00 54.97 54.99 3bg5 s GLU 1129Cb -0.19 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 3bg5 s GLU 1129CO -0.06 -0.09 0.86 0.99 -0.54 0.00 0.00 175.26 176.42 3bg5 s THR 1130N -0.64 4.91 -0.04 -1.70 2.01 -1.26 -2.04 115.64 116.88 3bg5 s THR 1130Ca -0.07 1.75 0.01 0.00 0.31 0.00 0.00 61.69 63.69 3bg5 s THR 1130Cb -0.04 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3bg5 s THR 1130CO 0.01 0.12 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.35 3bg5 s VAL 1131N 1.46 0.36 0.47 3.82 1.01 -1.23 -5.01 120.40 121.28 3bg5 s VAL 1131Ca 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 3bg5 s VAL 1131Cb -0.18 -0.41 0.10 0.00 0.00 0.00 0.00 36.38 35.88 3bg5 s VAL 1131CO 0.19 0.18 0.64 0.29 0.00 0.00 0.00 175.10 176.40 3bg5 n LYS 1132N 4.07 0.05 -1.87 2.72 5.02 -1.26 -4.05 118.16 122.84 3bg5 n LYS 1132Ca -0.26 -1.63 -0.41 0.00 -2.02 0.00 0.00 58.31 53.99 3bg5 n LYS 1132Cb 0.51 -0.46 -0.01 0.00 -0.02 0.00 0.00 35.03 35.04 3bg5 n LYS 1132CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bg5 s ALA 1133N -3.14 3.66 -2.10 7.82 0.00 -1.25 -3.14 121.76 123.61 3bg5 s ALA 1133Ca 0.41 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3bg5 s ALA 1133Cb -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3bg5 s ALA 1133CO 0.28 -0.91 0.00 0.09 0.00 0.00 0.00 175.76 175.21 3bg5 n ASN 1134N 1.69 -5.38 -4.68 0.00 3.02 -1.25 -4.95 115.26 103.72 3bg5 n ASN 1134Ca 0.05 0.44 -0.42 0.00 -0.03 0.00 0.00 54.58 54.62 3bg5 n ASN 1134Cb 0.39 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 3bg5 n ASN 1134CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3bg5 s GLN 1135N -3.87 4.32 0.00 3.52 2.00 -1.19 -4.56 119.66 119.89 3bg5 s GLN 1135Ca 0.00 1.73 -0.30 0.00 -2.00 0.00 0.00 55.36 54.78 3bg5 s GLN 1135Cb 0.00 -3.59 -0.09 0.00 0.80 0.00 0.00 33.01 30.13 3bg5 s GLN 1135CO 0.00 -0.51 2.00 -0.35 -0.50 0.00 0.00 175.29 175.93 3bg5 n PRO 1136N 5.44 2.74 -0.01 1.67 -0.04 -1.26 -3.16 135.00 140.38 3bg5 n PRO 1136Ca 0.12 0.99 0.01 0.00 -0.04 0.00 0.00 63.50 64.58 3bg5 n PRO 1136Cb 0.46 -3.01 -0.03 0.00 -0.04 0.00 0.00 33.50 30.88 3bg5 n PRO 1136CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3bg5 n LEU 1137N 7.88 0.00 -3.74 1.53 -0.00 -0.37 -4.84 117.00 117.46 3bg5 n LEU 1137Ca 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.10 3bg5 n LEU 1137Cb 0.40 0.02 -0.12 0.00 -0.00 0.00 0.00 43.42 43.73 3bg5 n LEU 1137CO 0.68 0.02 -0.07 -0.22 -0.00 0.00 0.00 177.39 177.81 3bg5 s LEU 1138N -3.54 0.53 -0.32 1.47 2.96 -1.21 -2.72 118.68 115.84 3bg5 s LEU 1138Ca -0.02 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 3bg5 s LEU 1138Cb 0.02 0.92 0.09 0.00 0.50 0.00 0.00 46.19 47.71 3bg5 s LEU 1138CO 0.17 -0.14 0.01 -0.63 -1.32 0.00 0.00 176.35 174.44 3bg5 s ILE 1139N 0.86 2.40 0.04 6.68 1.01 -0.81 0.92 121.20 132.30 3bg5 s ILE 1139Ca -0.06 -2.04 0.05 0.00 0.00 0.00 0.00 60.65 58.60 3bg5 s ILE 1139Cb -0.07 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3bg5 s ILE 1139CO -0.06 -0.41 -0.09 0.42 0.00 0.00 0.00 174.94 174.81 3bg5 s THR 1140N 1.01 3.46 -0.04 2.92 -4.23 -0.71 -0.43 115.64 117.61 3bg5 s THR 1140Ca 0.04 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 3bg5 s THR 1140Cb -0.20 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3bg5 s THR 1140CO -0.06 0.28 -0.13 -0.70 -0.54 0.00 0.00 174.62 173.47 3bg5 s GLU 1141N -1.71 1.46 0.00 3.99 2.12 0.15 -2.23 118.70 122.49 3bg5 s GLU 1141Ca 0.19 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3bg5 s GLU 1141Cb -0.11 -1.28 0.00 0.00 0.26 0.00 0.00 34.13 33.00 3bg5 s GLU 1141CO 0.10 0.14 0.00 0.00 -0.54 0.00 0.00 175.26 174.96 3bg5 n ALA 1142N 3.38 0.00 -0.01 6.30 0.00 -1.12 -1.44 120.51 127.63 3bg5 n ALA 1142Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 3bg5 n ALA 1142Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 3bg5 n ALA 1142CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3bg5 h MET 1143N 0.00 -0.01 -0.07 0.00 4.05 -2.00 -3.40 114.93 113.49 3bg5 h MET 1143Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3bg5 h MET 1143Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3bg5 h MET 1143CO 0.00 -0.01 -0.19 1.63 0.23 0.00 0.00 176.91 178.57 3bg5 n LYS 1144N -2.79 1.64 -4.46 0.39 4.76 -1.26 -5.03 118.16 111.40 3bg5 n LYS 1144Ca -0.00 -2.95 -0.24 0.00 -2.87 0.00 0.00 58.31 52.25 3bg5 n LYS 1144Cb 0.01 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 31.47 3bg5 n LYS 1144CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3bg5 s MET 1145N -3.05 1.68 -0.29 1.97 1.75 -1.26 -5.13 119.30 114.97 3bg5 s MET 1145Ca 0.37 -1.75 0.01 0.00 -1.25 0.00 0.00 55.69 53.08 3bg5 s MET 1145Cb 0.34 -1.78 0.19 0.00 2.84 0.00 0.00 34.83 36.41 3bg5 s MET 1145CO -0.00 0.34 0.58 -2.00 -0.65 0.00 0.00 175.02 173.29 3bg5 s GLU 1146N -3.46 0.55 -0.27 4.11 2.12 -1.26 -2.79 118.70 117.70 3bg5 s GLU 1146Ca 0.29 0.81 -0.11 0.00 0.36 0.00 0.00 54.97 56.33 3bg5 s GLU 1146Cb -0.05 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.68 3bg5 s GLU 1146CO 0.15 -0.78 0.19 0.95 -0.54 0.00 0.00 175.26 175.23 3bg5 s THR 1147N 2.83 5.32 -0.32 -1.70 -4.23 -0.95 -5.02 115.64 111.57 3bg5 s THR 1147Ca 0.17 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 3bg5 s THR 1147Cb -0.13 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 3bg5 s THR 1147CO -0.23 0.27 0.26 0.42 -0.54 0.00 0.00 174.62 174.80 3bg5 s THR 1148N 1.60 5.26 -0.20 3.99 -4.23 -1.26 -1.74 115.64 119.07 3bg5 s THR 1148Ca 0.08 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.30 3bg5 s THR 1148Cb -0.15 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3bg5 s THR 1148CO 0.09 0.06 1.25 -0.63 -0.54 0.00 0.00 174.62 174.85 3bg5 s ILE 1149N 1.81 4.30 0.73 2.99 1.01 0.26 -4.95 121.20 127.35 3bg5 s ILE 1149Ca 0.08 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.23 3bg5 s ILE 1149Cb -0.17 -4.06 0.10 0.00 0.01 0.00 0.00 42.46 38.34 3bg5 s ILE 1149CO 0.11 -0.20 1.03 -1.10 0.00 0.00 0.00 174.94 174.78 3bg5 s GLN 1150N 3.59 1.87 -0.06 2.79 -1.52 -1.26 -1.24 119.66 123.83 3bg5 s GLN 1150Ca 0.54 -0.53 -0.22 0.00 -1.95 0.00 0.00 55.36 53.20 3bg5 s GLN 1150Cb -0.20 -2.19 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 3bg5 s GLN 1150CO 0.15 -1.42 0.63 0.00 -0.25 0.00 0.00 175.29 174.40 3bg5 s ALA 1151N -3.27 3.40 0.26 6.09 0.00 -1.19 -4.83 121.76 122.21 3bg5 s ALA 1151Ca 0.63 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 3bg5 s ALA 1151Cb -0.08 -2.84 0.32 0.00 0.00 0.00 0.00 23.12 20.51 3bg5 s ALA 1151CO 0.45 -0.01 1.78 -1.00 0.00 0.00 0.00 175.76 176.99 3bg5 h PRO 1152N 6.42 0.88 0.00 0.00 0.13 -1.95 -3.32 132.00 134.16 3bg5 h PRO 1152Ca -0.42 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3bg5 h PRO 1152Cb 1.19 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3bg5 h PRO 1152CO 0.74 0.82 0.00 1.97 -0.23 0.00 0.00 178.00 181.30 3bg5 n PHE 1153N -4.25 0.00 0.00 1.56 1.16 -1.26 -4.98 117.46 109.69 3bg5 n PHE 1153Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 3bg5 n PHE 1153Cb 0.26 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 3bg5 n PHE 1153CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3bg5 n ASP 1154N 0.00 0.00 -0.74 5.98 -0.08 -1.26 -3.92 116.55 116.52 3bg5 n ASP 1154Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 3bg5 n ASP 1154Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 3bg5 n ASP 1154CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bg5 n GLY 1155N 0.00 -1.75 3.09 0.27 0.00 -1.26 -4.77 105.19 100.77 3bg5 n GLY 1155Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 3bg5 n GLY 1155CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bg5 s VAL 1156N -0.93 1.82 -0.13 1.61 1.01 -1.26 -3.52 120.40 118.99 3bg5 s VAL 1156Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 3bg5 s VAL 1156Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3bg5 s VAL 1156CO 0.00 0.50 1.54 -0.63 0.00 0.00 0.00 175.10 176.51 3bg5 s ILE 1157N 1.22 3.79 -0.12 2.22 1.01 -0.86 -4.51 121.20 123.96 3bg5 s ILE 1157Ca 0.01 0.94 0.21 0.00 0.00 0.00 0.00 60.65 61.81 3bg5 s ILE 1157Cb -0.14 -3.67 -0.20 0.00 0.01 0.00 0.00 42.46 38.46 3bg5 s ILE 1157CO -0.09 -0.16 0.67 2.29 0.00 0.00 0.00 174.94 177.66 3bg5 n LYS 1158N 7.17 0.64 -3.67 2.79 2.85 -1.22 -3.09 118.16 123.63 3bg5 n LYS 1158Ca 0.17 -0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.25 3bg5 n LYS 1158Cb 0.44 -1.65 -0.08 0.00 -0.65 0.00 0.00 35.03 33.09 3bg5 n LYS 1158CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3bg5 s GLN 1159N -3.33 0.74 -0.19 -1.58 -2.07 -1.23 -4.72 119.66 107.28 3bg5 s GLN 1159Ca -0.05 0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.80 3bg5 s GLN 1159Cb 0.11 0.35 0.01 0.00 -1.09 0.00 0.00 33.01 32.40 3bg5 s GLN 1159CO 0.85 -0.18 -0.17 0.08 -1.32 0.00 0.00 175.29 174.56 3bg5 s VAL 1160N -0.62 2.30 -0.91 3.63 1.01 -1.26 -3.70 120.40 120.85 3bg5 s VAL 1160Ca -0.07 -0.86 0.17 0.00 0.00 0.00 0.00 61.98 61.22 3bg5 s VAL 1160Cb -0.03 -1.98 0.65 0.00 0.00 0.00 0.00 36.38 35.01 3bg5 s VAL 1160CO 0.04 0.52 1.56 0.41 0.00 0.00 0.00 175.10 177.63 3bg5 n THR 1161N 4.65 1.85 -3.93 3.92 -1.04 -0.30 -4.93 114.28 114.50 3bg5 n THR 1161Ca -0.20 -1.29 -0.15 0.00 -2.04 0.00 0.00 64.05 60.36 3bg5 n THR 1161Cb 0.50 0.10 -0.15 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.93 0.14 0.21 12.58 -7.23 -1.26 -4.89 120.40 118.01 3bg5 s VAL 1162Ca 0.46 0.04 -0.00 0.00 -1.81 0.00 0.00 61.98 60.67 3bg5 s VAL 1162Cb 0.31 -0.19 0.04 0.00 0.56 0.00 0.00 36.38 37.10 3bg5 s VAL 1162CO 0.21 0.10 0.29 0.59 -0.31 0.00 0.00 175.10 175.97 3bg5 n ASN 1163N 3.72 0.36 -4.56 4.85 4.13 -1.26 -4.91 115.26 117.59 3bg5 n ASN 1163Ca -0.22 -1.31 -0.33 0.00 1.68 0.00 0.00 54.58 54.40 3bg5 n ASN 1163Cb 0.54 -0.19 -0.04 0.00 -1.54 0.00 0.00 39.78 38.55 3bg5 n ASN 1163CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3bg5 s ASN 1164N -2.16 5.71 0.00 6.41 3.04 -1.26 -3.89 114.94 122.79 3bg5 s ASN 1164Ca 0.19 -0.94 0.00 0.00 0.04 0.00 0.00 52.86 52.15 3bg5 s ASN 1164Cb -0.01 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.14 3bg5 s ASN 1164CO 0.13 -2.22 0.00 0.61 -3.04 0.00 0.00 177.10 172.58 3bg5 n GLY 1165N 6.79 0.65 3.67 1.21 0.00 -1.07 -5.04 105.19 111.40 3bg5 n GLY 1165Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.95 5.33 -0.15 1.61 1.01 -1.25 -4.83 116.67 117.45 3bg5 s ASP 1166Ca 0.00 0.14 -0.29 0.00 0.71 0.00 0.00 52.55 53.10 3bg5 s ASP 1166Cb 0.00 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.31 3bg5 s ASP 1166CO 0.00 0.34 1.17 0.42 0.21 0.00 0.00 175.17 177.31 3bg5 s THR 1167N -0.63 4.41 0.04 -1.27 -4.23 -1.26 -1.05 115.64 111.65 3bg5 s THR 1167Ca 0.10 1.71 0.08 0.00 -1.18 0.00 0.00 61.69 62.41 3bg5 s THR 1167Cb -0.12 -4.10 -0.03 0.00 1.34 0.00 0.00 72.50 69.59 3bg5 s THR 1167CO 0.02 -0.10 -0.21 0.27 -0.54 0.00 0.00 174.62 174.06 3bg5 s ILE 1168N 2.97 2.58 0.48 2.99 -4.36 0.23 -5.01 121.20 121.08 3bg5 s ILE 1168Ca 0.52 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.71 3bg5 s ILE 1168Cb -0.21 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.46 3bg5 s ILE 1168CO 0.15 0.34 0.66 0.00 0.24 0.00 0.00 174.94 176.33 3bg5 s ALA 1169N -0.89 4.29 0.11 2.27 0.00 -1.26 -2.77 121.76 123.51 3bg5 s ALA 1169Ca 0.14 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.23 3bg5 s ALA 1169Cb -0.10 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.14 3bg5 s ALA 1169CO 0.04 -0.50 1.52 0.99 0.00 0.00 0.00 175.76 177.81 3bg5 s THR 1170N -2.53 3.04 -0.35 0.00 2.01 -1.26 -3.24 115.64 113.31 3bg5 s THR 1170Ca 0.56 0.67 -0.02 0.00 0.31 0.00 0.00 61.69 63.21 3bg5 s THR 1170Cb -0.10 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3bg5 s THR 1170CO 0.35 0.03 0.30 0.61 -0.69 0.00 0.00 174.62 175.23 3bg5 n GLY 1171N 3.72 0.57 3.94 4.40 0.00 0.20 -4.91 105.19 113.10 3bg5 n GLY 1171Ca 0.13 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.09 6.36 -0.18 1.61 -0.00 -1.20 -1.99 116.67 118.18 3bg5 s ASP 1172Ca 0.15 0.25 -0.29 0.00 -0.00 0.00 0.00 52.55 52.66 3bg5 s ASP 1172Cb -0.07 -1.94 -0.01 0.00 -0.00 0.00 0.00 42.92 40.90 3bg5 s ASP 1172CO 0.19 0.03 1.21 -0.22 -0.00 0.00 0.00 175.17 176.38 3bg5 s LEU 1173N -3.22 4.16 0.00 1.23 2.96 -1.05 -1.92 118.68 120.84 3bg5 s LEU 1173Ca 0.36 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 3bg5 s LEU 1173Cb -0.11 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3bg5 s LEU 1173CO 0.29 -0.74 0.00 0.18 -1.32 0.00 0.00 176.35 174.76 3bg5 n LEU 1174N 6.51 0.87 -4.02 -0.68 4.77 -1.14 -4.63 117.00 118.68 3bg5 n LEU 1174Ca 0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 3bg5 n LEU 1174Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3bg5 n LEU 1174CO 0.55 0.08 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.70 3bg5 s ILE 1175N -1.92 0.15 -0.05 -0.08 -1.09 -1.24 -1.15 121.20 115.82 3bg5 s ILE 1175Ca 0.00 -1.22 0.01 0.00 -2.23 0.00 0.00 60.65 57.20 3bg5 s ILE 1175Cb 0.00 -0.71 0.02 0.00 -1.58 0.00 0.00 42.46 40.20 3bg5 s ILE 1175CO 0.00 -0.67 -0.05 -1.83 -1.23 0.00 0.00 174.94 171.16 3bg5 s GLU 1176N -2.33 0.91 0.02 2.79 -1.05 -1.24 -0.16 118.70 117.64 3bg5 s GLU 1176Ca -0.08 -0.12 0.04 0.00 -0.15 0.00 0.00 54.97 54.66 3bg5 s GLU 1176Cb -0.04 -0.92 -0.02 0.00 -0.44 0.00 0.00 34.13 32.72 3bg5 s GLU 1176CO -0.04 -0.09 -0.12 0.42 0.95 0.00 0.00 175.26 176.37 3bg5 s ILE 1177N 1.00 0.98 0.00 1.83 1.01 -0.92 -3.38 121.20 121.71 3bg5 s ILE 1177Ca -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3bg5 s ILE 1177Cb -0.14 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3bg5 s ILE 1177CO -0.00 0.11 0.15 -0.62 0.00 0.00 0.00 174.94 174.58