#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb9 s ILE 37 N 0.00 4.80 -0.04 -0.39 1.01 -1.26 -4.89 121.20 120.43 3hb9 s ILE 37 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 60.65 61.99 3hb9 s ILE 37 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3hb9 s ILE 37 CO 0.00 -0.19 0.05 1.17 0.00 0.00 0.00 174.94 175.97 3hb9 n LYS 38 N 6.15 4.18 -3.63 2.79 3.00 -1.26 -4.80 118.16 124.59 3hb9 n LYS 38 Ca 0.04 -0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 3hb9 n LYS 38 Cb 0.48 -0.74 -0.14 0.00 0.00 0.00 0.00 35.03 34.64 3hb9 n LYS 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3hb9 s LYS 39 N -1.48 0.13 -0.07 1.64 2.20 -1.26 -2.83 119.74 118.07 3hb9 s LYS 39 Ca 0.00 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.22 3hb9 s LYS 39 Cb 0.01 -0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 3hb9 s LYS 39 CO 0.06 -0.36 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.52 3hb9 s LEU 40 N 2.38 3.54 -0.07 5.43 0.20 0.19 -1.51 118.68 128.84 3hb9 s LEU 40 Ca 0.03 0.10 0.05 0.00 0.69 0.00 0.00 54.13 55.00 3hb9 s LEU 40 Cb -0.13 -1.86 -0.00 0.00 -0.43 0.00 0.00 46.19 43.77 3hb9 s LEU 40 CO -0.09 0.36 -0.23 -0.22 -0.29 0.00 0.00 176.35 175.88 3hb9 s LEU 41 N -1.03 2.03 -0.36 -0.68 0.20 -0.74 -0.63 118.68 117.47 3hb9 s LEU 41 Ca 0.15 -0.50 -0.11 0.00 0.69 0.00 0.00 54.13 54.36 3hb9 s LEU 41 Cb -0.11 -1.30 0.01 0.00 -0.43 0.00 0.00 46.19 44.36 3hb9 s LEU 41 CO 0.04 0.19 0.21 -0.69 -0.29 0.00 0.00 176.35 175.81 3hb9 s VAL 42 N 0.12 4.78 -1.49 1.68 1.01 -0.97 -1.15 120.40 124.37 3hb9 s VAL 42 Ca -0.10 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 3hb9 s VAL 42 Cb -0.15 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3hb9 s VAL 42 CO 0.06 -0.14 2.59 0.00 0.00 0.00 0.00 175.10 177.60 3hb9 n ALA 43 N 5.03 6.80 -3.77 5.51 0.00 -0.78 -4.08 120.51 129.24 3hb9 n ALA 43 Ca -0.12 -3.80 -0.06 0.00 0.00 0.00 0.00 53.44 49.45 3hb9 n ALA 43 Cb 0.47 -3.23 -0.02 0.00 0.00 0.00 0.00 19.45 16.67 3hb9 n ALA 43 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hb9 s ASN 44 N 1.83 -0.27 0.34 0.00 3.04 -1.26 -4.72 114.94 113.90 3hb9 s ASN 44 Ca 0.59 -0.45 0.07 0.00 0.04 0.00 0.00 52.86 53.10 3hb9 s ASN 44 Cb 0.17 0.62 -0.07 0.00 -1.54 0.00 0.00 41.25 40.43 3hb9 s ASN 44 CO -0.07 -1.14 -0.02 0.00 -3.04 0.00 0.00 177.10 172.83 3hb9 s ARG 45 N -3.67 1.75 2.92 0.43 1.70 -1.26 -4.66 118.95 116.16 3hb9 s ARG 45 Ca 0.10 -1.94 0.00 0.00 -0.47 0.00 0.00 55.73 53.42 3hb9 s ARG 45 Cb -0.04 -1.36 0.00 0.00 -0.57 0.00 0.00 34.95 32.98 3hb9 s ARG 45 CO 0.03 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.65 3hb9 n GLY 46 N -0.76 -0.37 0.34 3.88 0.00 -1.26 -3.87 105.19 103.14 3hb9 n GLY 46 Ca -0.05 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 44.99 3hb9 n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hb9 h GLU 47 N 0.00 0.52 -0.13 1.61 -0.00 -1.80 -2.01 114.58 112.77 3hb9 h GLU 47 Ca 0.00 -0.03 -0.20 0.00 -0.00 0.00 0.00 59.36 59.13 3hb9 h GLU 47 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.63 3hb9 h GLU 47 CO 0.00 0.34 -0.73 0.97 -0.00 0.00 0.00 179.01 179.60 3hb9 h ILE 48 N 0.53 1.32 -0.05 -1.06 6.09 -1.91 -0.98 117.51 121.46 3hb9 h ILE 48 Ca 0.26 -2.01 0.01 0.00 -1.37 0.00 0.00 64.86 61.74 3hb9 h ILE 48 Cb 0.33 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 3hb9 h ILE 48 CO -0.08 0.62 0.00 0.00 -3.07 0.00 0.00 178.15 175.63 3hb9 h ALA 49 N 0.76 0.05 -0.67 0.18 0.00 -1.49 -0.14 119.26 117.96 3hb9 h ALA 49 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hb9 h ALA 49 Cb 1.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3hb9 h ALA 49 CO 0.14 -0.48 0.44 0.82 0.00 0.00 0.00 179.25 180.17 3hb9 h ILE 50 N 0.02 1.06 -0.39 0.00 2.04 -1.39 -0.98 117.51 117.88 3hb9 h ILE 50 Ca 0.02 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3hb9 h ILE 50 Cb 0.03 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3hb9 h ILE 50 CO -0.04 0.14 -0.03 -0.09 0.00 0.00 0.00 178.15 178.13 3hb9 h ARG 51 N 0.75 0.71 -0.44 2.37 9.65 -0.54 -2.47 114.38 124.41 3hb9 h ARG 51 Ca 0.27 -0.24 -0.08 0.00 -1.10 0.00 0.00 59.98 58.83 3hb9 h ARG 51 Cb 0.15 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3hb9 h ARG 51 CO -0.08 0.82 -0.06 0.82 2.80 0.00 0.00 179.97 184.27 3hb9 h ILE 52 N 0.52 1.27 -0.91 1.20 1.08 -0.50 -3.04 117.51 117.14 3hb9 h ILE 52 Ca 0.11 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.46 3hb9 h ILE 52 Cb 0.52 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 3hb9 h ILE 52 CO 0.03 0.39 0.60 -0.26 -0.69 0.00 0.00 178.15 178.21 3hb9 h PHE 53 N 0.64 1.12 0.09 1.37 0.05 -1.14 -0.15 116.94 118.92 3hb9 h PHE 53 Ca 0.12 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.93 3hb9 h PHE 53 Cb 0.57 -0.38 0.00 0.00 2.00 0.00 0.00 35.95 38.15 3hb9 h PHE 53 CO 0.04 0.67 -0.04 0.00 -0.18 0.00 0.00 178.31 178.80 3hb9 h ARG 54 N 1.18 -0.12 -0.55 1.51 3.08 -1.38 0.40 114.38 118.49 3hb9 h ARG 54 Ca 0.35 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 3hb9 h ARG 54 Cb -0.05 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hb9 h ARG 54 CO -0.09 0.09 0.13 0.00 -1.07 0.00 0.00 179.97 179.02 3hb9 h ALA 55 N 0.58 1.19 -0.33 0.04 0.00 -1.39 0.96 119.26 120.32 3hb9 h ALA 55 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3hb9 h ALA 55 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hb9 h ALA 55 CO 0.02 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 3hb9 h ALA 56 N 1.32 0.44 0.00 0.00 0.00 -0.96 -2.37 119.26 117.70 3hb9 h ALA 56 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hb9 h ALA 56 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hb9 h ALA 56 CO -0.00 0.21 -0.27 0.00 0.00 0.00 0.00 179.25 179.18 3hb9 h ALA 57 N 0.84 1.22 0.00 0.00 0.00 -0.63 0.25 119.26 120.95 3hb9 h ALA 57 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3hb9 h ALA 57 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hb9 h ALA 57 CO 0.02 0.34 -0.27 0.93 0.00 0.00 0.00 179.25 180.26 3hb9 h GLU 58 N 0.00 0.00 -0.61 0.00 5.08 -0.59 -2.90 114.58 115.56 3hb9 h GLU 58 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hb9 h GLU 58 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hb9 h GLU 58 CO 0.04 0.27 0.00 1.28 -1.00 0.00 0.00 179.01 179.60 3hb9 n LEU 59 N -3.51 5.50 0.00 1.33 4.77 -0.70 -4.93 117.00 119.46 3hb9 n LEU 59 Ca -0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 3hb9 n LEU 59 Cb 0.43 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3hb9 n LEU 59 CO 0.34 0.67 0.00 0.47 -1.33 0.00 0.00 177.39 177.54 3hb9 n ASP 60 N 0.75 -0.52 -4.71 -1.43 9.92 -1.09 -4.96 116.55 114.51 3hb9 n ASP 60 Ca 0.27 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.11 3hb9 n ASP 60 Cb 1.12 -2.03 -0.03 0.00 -0.64 0.00 0.00 41.12 39.54 3hb9 n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hb9 s ILE 61 N -1.62 3.95 0.60 0.53 1.01 -0.01 -4.95 121.20 120.72 3hb9 s ILE 61 Ca 0.00 1.38 -0.18 0.00 0.00 0.00 0.00 60.65 61.86 3hb9 s ILE 61 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3hb9 s ILE 61 CO 0.00 0.08 1.14 -0.55 0.00 0.00 0.00 174.94 175.61 3hb9 s SER 62 N 1.20 5.31 -0.03 3.58 0.15 -1.13 -3.58 113.70 119.21 3hb9 s SER 62 Ca 0.59 2.17 0.06 0.00 0.70 0.00 0.00 55.95 59.48 3hb9 s SER 62 Cb -0.30 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.42 3hb9 s SER 62 CO 0.28 -1.50 -0.22 0.42 1.20 0.00 0.00 173.24 173.43 3hb9 s THR 63 N -1.95 2.42 -0.14 6.45 -4.23 -1.26 -0.64 115.64 116.30 3hb9 s THR 63 Ca 0.72 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 3hb9 s THR 63 Cb -0.24 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.75 3hb9 s THR 63 CO 0.34 0.57 0.01 -0.69 -0.54 0.00 0.00 174.62 174.32 3hb9 s VAL 64 N -0.66 0.53 0.20 2.29 1.01 0.20 -1.39 120.40 122.57 3hb9 s VAL 64 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3hb9 s VAL 64 Cb -0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3hb9 s VAL 64 CO -0.00 0.01 0.40 0.00 0.00 0.00 0.00 175.10 175.50 3hb9 s ALA 65 N 1.88 3.82 -0.03 5.51 0.00 0.22 -2.29 121.76 130.88 3hb9 s ALA 65 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3hb9 s ALA 65 Cb -0.15 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3hb9 s ALA 65 CO -0.07 0.43 -0.23 0.96 0.00 0.00 0.00 175.76 176.86 3hb9 s ILE 66 N -1.87 1.82 0.12 0.00 -4.36 -1.26 -1.92 121.20 113.73 3hb9 s ILE 66 Ca 0.39 -0.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.82 3hb9 s ILE 66 Cb -0.11 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 3hb9 s ILE 66 CO 0.29 0.51 -0.04 -0.72 0.24 0.00 0.00 174.94 175.22 3hb9 s TYR 67 N -0.44 1.00 0.53 1.37 1.13 -0.68 -4.82 117.35 115.44 3hb9 s TYR 67 Ca 0.06 -0.96 0.05 0.00 -1.41 0.00 0.00 57.07 54.81 3hb9 s TYR 67 Cb -0.10 -0.57 0.02 0.00 -1.10 0.00 0.00 41.96 40.21 3hb9 s TYR 67 CO 0.00 -0.18 0.30 -1.54 -2.51 0.00 0.00 175.55 171.62 3hb9 s SER 68 N -3.09 4.51 0.24 -0.18 1.04 -1.26 -1.79 113.70 113.17 3hb9 s SER 68 Ca 0.16 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.23 3hb9 s SER 68 Cb 0.06 0.37 0.39 0.00 0.10 0.00 0.00 66.02 66.93 3hb9 s SER 68 CO -0.02 -1.00 1.80 0.78 0.98 0.00 0.00 173.24 175.78 3hb9 h ASN 69 N 0.94 0.61 0.01 7.02 4.21 -1.80 -1.00 115.58 125.57 3hb9 h ASN 69 Ca -0.39 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.18 3hb9 h ASN 69 Cb 1.30 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 3hb9 h ASN 69 CO 0.62 0.34 -0.04 -1.84 -1.29 0.00 0.00 177.43 175.22 3hb9 n GLU 70 N -4.78 1.63 -0.73 0.81 0.00 -1.26 -3.58 120.64 112.73 3hb9 n GLU 70 Ca 0.13 -1.01 -0.00 0.00 0.00 0.00 0.00 57.16 56.28 3hb9 n GLU 70 Cb 0.29 -1.48 0.25 0.00 0.00 0.00 0.00 31.44 30.50 3hb9 n GLU 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hb9 n ASP 71 N 0.20 3.66 -0.37 -1.84 9.92 -0.42 -4.59 116.55 123.10 3hb9 n ASP 71 Ca 0.18 -3.34 0.03 0.00 -0.53 0.00 0.00 54.79 51.13 3hb9 n ASP 71 Cb 0.38 -0.64 0.18 0.00 -0.64 0.00 0.00 41.12 40.41 3hb9 n ASP 71 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3hb9 h LYS 72 N 1.71 1.13 -0.19 -1.24 1.79 -1.50 -2.93 116.57 115.34 3hb9 h LYS 72 Ca 0.16 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3hb9 h LYS 72 Cb 1.79 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 3hb9 h LYS 72 CO 0.44 0.75 0.00 -1.13 -1.08 0.00 0.00 179.45 178.42 3hb9 n SER 73 N -4.51 2.96 -4.67 0.86 3.41 -1.26 -4.97 113.62 105.44 3hb9 n SER 73 Ca 0.16 -1.89 -0.46 0.00 -0.26 0.00 0.00 58.87 56.42 3hb9 n SER 73 Cb 0.20 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3hb9 n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hb9 n SER 74 N 1.20 3.19 0.33 4.04 2.88 -1.11 -4.86 113.62 119.29 3hb9 n SER 74 Ca 0.14 1.07 0.22 0.00 -1.33 0.00 0.00 58.87 58.97 3hb9 n SER 74 Cb 0.52 -1.43 1.15 0.00 -0.75 0.00 0.00 64.21 63.70 3hb9 n SER 74 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hb9 h LEU 75 N 6.37 0.00 -0.86 2.46 3.38 -1.91 -1.62 115.31 123.14 3hb9 h LEU 75 Ca -0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3hb9 h LEU 75 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3hb9 h LEU 75 CO 0.90 0.00 -0.32 1.12 0.09 0.00 0.00 178.44 180.23 3hb9 h HIS 76 N 0.00 0.00 -0.32 1.13 2.07 -1.87 -3.03 115.15 113.13 3hb9 h HIS 76 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 3hb9 h HIS 76 Cb 0.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.04 3hb9 h HIS 76 CO 0.00 0.32 -0.03 -0.09 -3.07 0.00 0.00 177.93 175.06 3hb9 h ARG 77 N 0.00 0.59 0.00 5.12 1.12 -1.62 -2.90 114.38 116.69 3hb9 h ARG 77 Ca -0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 3hb9 h ARG 77 Cb 0.90 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.82 3hb9 h ARG 77 CO 0.04 0.74 0.00 1.88 -3.11 0.00 0.00 179.97 179.52 3hb9 h TYR 78 N 0.38 0.00 -0.54 2.20 -1.99 -1.67 -3.31 116.97 112.04 3hb9 h TYR 78 Ca 0.09 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.52 3hb9 h TYR 78 Cb 0.49 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.06 3hb9 h TYR 78 CO 0.04 0.00 0.39 1.17 -0.00 0.00 0.00 178.16 179.76 3hb9 n LYS 79 N -2.44 1.73 -3.89 4.88 3.00 -1.09 -4.86 118.16 115.50 3hb9 n LYS 79 Ca 0.04 -1.66 -0.09 0.00 -0.00 0.00 0.00 58.31 56.60 3hb9 n LYS 79 Cb 0.37 -1.65 -0.08 0.00 0.00 0.00 0.00 35.03 33.67 3hb9 n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hb9 s ALA 80 N -1.85 -0.17 0.41 3.14 0.00 -1.25 -4.92 121.76 117.13 3hb9 s ALA 80 Ca 0.32 -0.59 0.12 0.00 0.00 0.00 0.00 51.96 51.82 3hb9 s ALA 80 Cb 0.26 0.38 0.88 0.00 0.00 0.00 0.00 23.12 24.64 3hb9 s ALA 80 CO 0.04 -0.44 1.93 -0.44 0.00 0.00 0.00 175.76 176.86 3hb9 h ASP 81 N 3.08 0.07 -4.55 0.00 3.45 -1.81 -3.44 116.42 113.21 3hb9 h ASP 81 Ca -0.33 -0.02 -0.20 0.00 0.43 0.00 0.00 57.03 56.91 3hb9 h ASP 81 Cb 1.19 -0.02 -0.23 0.00 -0.56 0.00 0.00 39.33 39.71 3hb9 h ASP 81 CO 0.55 0.28 -0.71 -1.61 -1.57 0.00 0.00 179.24 176.18 3hb9 s GLU 82 N -4.58 0.25 -0.05 3.56 2.02 -0.48 -5.00 118.70 114.42 3hb9 s GLU 82 Ca -0.04 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 3hb9 s GLU 82 Cb 0.15 0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.43 3hb9 s GLU 82 CO 0.71 -0.02 0.09 -1.54 0.02 0.00 0.00 175.26 174.53 3hb9 s SER 83 N -0.99 0.13 -0.02 -0.19 1.04 -1.26 0.71 113.70 113.12 3hb9 s SER 83 Ca -0.10 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.54 3hb9 s SER 83 Cb -0.07 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3hb9 s SER 83 CO -0.01 -0.16 -0.13 -0.31 0.98 0.00 0.00 173.24 173.61 3hb9 s TYR 84 N 1.30 1.28 -0.59 5.02 1.51 -0.81 -4.98 117.35 120.08 3hb9 s TYR 84 Ca -0.07 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.42 3hb9 s TYR 84 Cb -0.12 -0.85 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 3hb9 s TYR 84 CO -0.04 -0.07 1.32 -1.17 -1.11 0.00 0.00 175.55 174.47 3hb9 s LEU 85 N -0.12 3.39 0.00 -1.29 2.96 -1.26 -1.68 118.68 120.68 3hb9 s LEU 85 Ca 0.01 0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 53.75 3hb9 s LEU 85 Cb -0.08 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3hb9 s LEU 85 CO 0.00 -1.64 1.02 -0.69 -1.32 0.00 0.00 176.35 173.72 3hb9 s VAL 86 N 5.62 4.72 0.02 1.68 1.01 -0.74 -4.74 120.40 127.98 3hb9 s VAL 86 Ca 0.47 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.40 3hb9 s VAL 86 Cb -0.09 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3hb9 s VAL 86 CO 0.24 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3hb9 n GLY 87 N 2.97 -2.90 0.20 4.51 0.00 -1.26 -4.61 105.19 104.10 3hb9 n GLY 87 Ca 0.07 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.93 3hb9 n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hb9 h SER 88 N 0.02 0.00 0.00 1.61 4.64 -2.01 -3.40 113.55 114.41 3hb9 h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hb9 h SER 88 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3hb9 h SER 88 CO 0.00 0.26 0.00 -0.90 -0.87 0.00 0.00 176.83 175.32 3hb9 n ASP 89 N -3.27 0.00 -4.33 4.97 3.85 -1.26 -5.11 116.55 111.40 3hb9 n ASP 89 Ca 0.01 0.00 -0.55 0.00 -0.71 0.00 0.00 54.79 53.55 3hb9 n ASP 89 Cb 0.54 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.20 3hb9 n ASP 89 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3hb9 n LEU 90 N 0.00 1.06 0.00 -2.12 4.77 -1.26 -4.85 117.00 114.60 3hb9 n LEU 90 Ca 0.00 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3hb9 n LEU 90 Cb 0.00 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3hb9 n LEU 90 CO 0.00 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 175.90 3hb9 n GLY 91 N 7.11 -0.00 0.00 -0.72 0.00 -1.26 -4.11 105.19 106.21 3hb9 n GLY 91 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3hb9 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hb9 n PRO 92 N 0.00 1.92 0.06 1.61 -0.04 -1.26 -4.53 135.00 132.75 3hb9 n PRO 92 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 3hb9 n PRO 92 Cb 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 33.63 3hb9 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hb9 n ALA 93 N -3.00 0.85 0.29 0.55 0.00 -1.26 -1.55 120.51 116.39 3hb9 n ALA 93 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.60 3hb9 n ALA 93 Cb 0.00 -0.93 0.46 0.00 0.00 0.00 0.00 19.45 18.98 3hb9 n ALA 93 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3hb9 n GLU 94 N -1.68 0.14 0.14 0.00 0.28 -1.26 -3.07 120.64 115.18 3hb9 n GLU 94 Ca -0.00 0.49 -0.24 0.00 -0.16 0.00 0.00 57.16 57.24 3hb9 n GLU 94 Cb 0.10 -1.83 -0.16 0.00 1.43 0.00 0.00 31.44 30.98 3hb9 n GLU 94 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3hb9 h SER 95 N 0.00 0.80 -0.20 -1.84 0.87 -1.54 -3.06 113.55 108.59 3hb9 h SER 95 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 3hb9 h SER 95 Cb 0.19 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3hb9 h SER 95 CO 0.00 1.68 0.00 -1.22 -0.53 0.00 0.00 176.83 176.76 3hb9 n TYR 96 N -3.77 0.26 0.25 2.24 4.02 -1.17 -3.60 117.16 115.38 3hb9 n TYR 96 Ca -0.17 -0.13 0.03 0.00 -0.01 0.00 0.00 57.90 57.62 3hb9 n TYR 96 Cb 1.07 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.38 3hb9 n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hb9 n LEU 97 N 0.17 0.72 -4.56 7.72 4.77 -1.21 -4.53 117.00 120.08 3hb9 n LEU 97 Ca 0.12 -0.69 -0.30 0.00 -0.03 0.00 0.00 56.01 55.11 3hb9 n LEU 97 Cb 0.25 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 3hb9 n LEU 97 CO 0.09 0.16 1.39 0.21 -1.33 0.00 0.00 177.39 177.91 3hb9 s ASN 98 N -1.12 5.31 0.23 -1.43 3.84 -1.16 -4.84 114.94 115.77 3hb9 s ASN 98 Ca 0.04 -0.61 -0.07 0.00 0.21 0.00 0.00 52.86 52.43 3hb9 s ASN 98 Cb 0.04 -2.56 0.35 0.00 -0.55 0.00 0.00 41.25 38.54 3hb9 s ASN 98 CO 0.16 -2.56 1.75 0.40 -2.79 0.00 0.00 177.10 174.06 3hb9 h ILE 99 N 7.14 0.75 -0.15 -5.21 2.04 -1.92 -2.54 117.51 117.61 3hb9 h ILE 99 Ca 0.05 -0.16 -0.21 0.00 1.00 0.00 0.00 64.86 65.54 3hb9 h ILE 99 Cb 1.03 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3hb9 h ILE 99 CO 1.23 0.09 -0.73 -0.33 0.00 0.00 0.00 178.15 178.41 3hb9 h GLU 100 N 0.47 0.77 0.00 2.37 4.39 -1.99 -2.76 114.58 117.82 3hb9 h GLU 100 Ca 0.35 -0.62 -0.12 0.00 0.34 0.00 0.00 59.36 59.32 3hb9 h GLU 100 Cb 0.46 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3hb9 h GLU 100 CO -0.33 1.23 -0.58 0.00 -1.16 0.00 0.00 179.01 178.17 3hb9 h ARG 101 N 0.49 0.00 -0.03 2.33 -0.00 -1.96 -0.47 114.38 114.73 3hb9 h ARG 101 Ca -0.05 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 3hb9 h ARG 101 Cb 1.36 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.33 3hb9 h ARG 101 CO 0.15 0.58 -0.01 0.82 0.00 0.00 0.00 179.97 181.52 3hb9 h ILE 102 N 0.00 1.29 -0.02 2.04 2.04 -1.48 -1.18 117.51 120.20 3hb9 h ILE 102 Ca -0.01 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 3hb9 h ILE 102 Cb 1.08 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3hb9 h ILE 102 CO 0.08 0.23 -0.27 0.40 0.00 0.00 0.00 178.15 178.59 3hb9 h ILE 103 N -0.28 1.21 0.71 -0.67 2.04 -1.46 0.10 117.51 119.16 3hb9 h ILE 103 Ca 0.01 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 3hb9 h ILE 103 Cb 0.38 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3hb9 h ILE 103 CO 0.00 0.28 -0.48 0.44 0.00 0.00 0.00 178.15 178.40 3hb9 h ASP 104 N 0.03 -1.23 -0.98 1.72 5.19 -0.98 0.02 116.42 120.19 3hb9 h ASP 104 Ca 0.00 0.08 0.12 0.00 -0.62 0.00 0.00 57.03 56.61 3hb9 h ASP 104 Cb 0.50 0.37 -0.08 0.00 0.18 0.00 0.00 39.33 40.31 3hb9 h ASP 104 CO 0.04 -0.72 0.62 0.58 -3.12 0.00 0.00 179.24 176.64 3hb9 h VAL 105 N -1.13 0.93 -0.64 -1.35 2.07 -0.82 -0.61 116.25 114.70 3hb9 h VAL 105 Ca -0.09 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3hb9 h VAL 105 Cb 0.92 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3hb9 h VAL 105 CO 0.07 0.18 0.14 0.00 0.02 0.00 0.00 177.57 177.97 3hb9 h ALA 106 N 1.54 1.03 -0.12 1.67 0.00 -0.67 -2.69 119.26 120.02 3hb9 h ALA 106 Ca 0.48 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hb9 h ALA 106 Cb 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hb9 h ALA 106 CO -0.24 0.63 -0.20 0.87 0.00 0.00 0.00 179.25 180.31 3hb9 h LYS 107 N 0.97 0.35 -0.75 0.00 1.57 -0.02 0.43 116.57 119.11 3hb9 h LYS 107 Ca 0.20 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3hb9 h LYS 107 Cb 0.37 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3hb9 h LYS 107 CO 0.00 0.80 0.50 1.96 -0.57 0.00 0.00 179.45 182.14 3hb9 h GLN 108 N -0.06 0.88 -0.25 3.15 1.08 -1.11 -2.27 115.11 116.53 3hb9 h GLN 108 Ca 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hb9 h GLN 108 Cb 0.78 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3hb9 h GLN 108 CO 0.05 0.58 0.00 0.00 -0.95 0.00 0.00 178.83 178.51 3hb9 n ALA 109 N -2.43 2.48 -3.44 3.87 0.00 -1.02 -4.95 120.51 115.02 3hb9 n ALA 109 Ca 0.10 -0.68 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 3hb9 n ALA 109 Cb 0.13 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 18.65 3hb9 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hb9 n ASN 110 N 0.70 -3.90 -4.74 0.00 3.02 -0.85 -4.98 115.26 104.50 3hb9 n ASN 110 Ca 0.17 -0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 53.76 3hb9 n ASN 110 Cb 0.41 -4.87 -0.05 0.00 -0.61 0.00 0.00 39.78 34.67 3hb9 n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hb9 s VAL 111 N -3.33 4.09 -0.12 2.41 1.01 0.13 -4.77 120.40 119.83 3hb9 s VAL 111 Ca 0.25 1.89 -0.09 0.00 0.00 0.00 0.00 61.98 64.04 3hb9 s VAL 111 Cb -0.11 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 31.80 3hb9 s VAL 111 CO 0.69 0.37 0.37 0.44 0.00 0.00 0.00 175.10 176.98 3hb9 h ASP 112 N 4.83 0.39 -4.25 3.32 3.32 -1.58 -3.45 116.42 118.99 3hb9 h ASP 112 Ca -0.44 -0.91 -0.18 0.00 0.02 0.00 0.00 57.03 55.52 3hb9 h ASP 112 Cb 1.21 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 3hb9 h ASP 112 CO 0.70 1.81 -0.58 0.00 -1.72 0.00 0.00 179.24 179.46 3hb9 s ALA 113 N -2.54 -0.23 -0.14 3.45 0.00 -1.16 -0.51 121.76 120.62 3hb9 s ALA 113 Ca -0.23 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 3hb9 s ALA 113 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hb9 s ALA 113 CO 0.76 -0.11 -0.13 0.42 0.00 0.00 0.00 175.76 176.70 3hb9 s ILE 114 N -0.52 2.98 -0.24 0.00 1.01 -0.71 -1.79 121.20 121.93 3hb9 s ILE 114 Ca -0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 3hb9 s ILE 114 Cb -0.04 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3hb9 s ILE 114 CO 0.00 0.51 0.30 -2.28 0.00 0.00 0.00 174.94 173.48 3hb9 s HIS 115 N 0.54 3.31 -0.39 3.97 2.46 -0.30 -2.01 115.29 122.87 3hb9 s HIS 115 Ca -0.08 0.39 0.23 0.00 0.47 0.00 0.00 55.06 56.06 3hb9 s HIS 115 Cb -0.16 -2.45 0.27 0.00 -0.13 0.00 0.00 32.58 30.11 3hb9 s HIS 115 CO 0.04 -0.06 1.50 -1.00 -2.47 0.00 0.00 174.74 172.74 3hb9 h PRO 116 N 7.74 0.00 0.00 2.88 0.13 -1.86 -2.06 132.00 138.82 3hb9 h PRO 116 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3hb9 h PRO 116 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hb9 h PRO 116 CO 0.66 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 3hb9 n GLY 117 N 1.12 3.31 3.16 1.56 0.00 -1.26 -4.54 105.19 108.54 3hb9 n GLY 117 Ca 0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3hb9 n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hb9 s TYR 118 N 0.00 0.15 -1.26 1.61 -0.85 -1.26 -4.19 117.35 111.55 3hb9 s TYR 118 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 3hb9 s TYR 118 Cb 0.00 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.25 3hb9 s TYR 118 CO 0.00 -0.42 0.00 0.41 -1.52 0.00 0.00 175.55 174.02 3hb9 n GLY 119 N 0.55 -0.19 0.00 5.49 0.00 -1.26 -4.86 105.19 104.92 3hb9 n GLY 119 Ca -0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3hb9 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hb9 n PHE 120 N -3.98 0.00 -0.53 1.61 3.72 -1.26 -4.94 117.46 112.08 3hb9 n PHE 120 Ca -0.17 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.32 3hb9 n PHE 120 Cb 0.63 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.47 3hb9 n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hb9 n LEU 121 N 0.00 4.18 0.25 4.37 4.77 -1.26 -4.58 117.00 124.73 3hb9 n LEU 121 Ca 0.00 -2.33 0.11 0.00 -0.03 0.00 0.00 56.01 53.76 3hb9 n LEU 121 Cb 0.00 -0.49 0.67 0.00 -2.33 0.00 0.00 43.42 41.27 3hb9 n LEU 121 CO 0.00 0.82 0.96 0.77 -1.33 0.00 0.00 177.39 178.61 3hb9 h SER 122 N 3.52 0.00 -0.08 -1.43 4.64 -1.89 -2.54 113.55 115.76 3hb9 h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hb9 h SER 122 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3hb9 h SER 122 CO 0.14 0.14 0.00 -0.62 -0.87 0.00 0.00 176.83 175.62 3hb9 n GLU 123 N -3.85 2.92 -2.80 4.77 1.02 -1.26 -4.82 120.64 116.61 3hb9 n GLU 123 Ca -0.02 -1.67 -0.42 0.00 -0.02 0.00 0.00 57.16 55.03 3hb9 n GLU 123 Cb 0.23 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 3hb9 n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hb9 s ASN 124 N -1.06 7.01 0.08 1.62 3.84 -0.96 -4.96 114.94 120.52 3hb9 s ASN 124 Ca 0.07 1.25 -0.15 0.00 0.21 0.00 0.00 52.86 54.23 3hb9 s ASN 124 Cb 0.04 -2.49 -0.12 0.00 -0.55 0.00 0.00 41.25 38.13 3hb9 s ASN 124 CO 0.04 -0.50 1.34 -0.08 -2.79 0.00 0.00 177.10 175.11 3hb9 h GLU 125 N 7.40 0.67 -0.98 0.43 4.81 -1.90 -3.19 114.58 121.82 3hb9 h GLU 125 Ca -0.26 -0.43 0.04 0.00 -0.13 0.00 0.00 59.36 58.58 3hb9 h GLU 125 Cb 1.11 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 3hb9 h GLU 125 CO 0.88 1.05 0.64 0.37 -0.73 0.00 0.00 179.01 181.23 3hb9 h GLN 126 N 0.37 1.20 -0.01 1.92 4.15 -1.97 -0.81 115.11 119.95 3hb9 h GLN 126 Ca 0.01 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 3hb9 h GLN 126 Cb 1.03 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 3hb9 h GLN 126 CO 0.10 0.79 0.00 0.35 -1.93 0.00 0.00 178.83 178.14 3hb9 h PHE 127 N 1.23 0.02 -0.44 3.99 3.57 -1.91 -1.84 116.94 121.55 3hb9 h PHE 127 Ca 0.39 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.84 3hb9 h PHE 127 Cb 0.01 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3hb9 h PHE 127 CO -0.00 0.22 0.07 0.00 -2.23 0.00 0.00 178.31 176.38 3hb9 h ALA 128 N 0.80 1.30 0.87 2.41 0.00 -1.48 -1.79 119.26 121.36 3hb9 h ALA 128 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hb9 h ALA 128 Cb 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hb9 h ALA 128 CO -0.00 0.49 -0.42 -0.09 0.00 0.00 0.00 179.25 179.23 3hb9 h ARG 129 N 0.66 -1.12 -0.06 0.00 2.43 -1.08 -2.88 114.38 112.32 3hb9 h ARG 129 Ca 0.14 0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3hb9 h ARG 129 Cb 0.30 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hb9 h ARG 129 CO 0.00 -0.74 0.09 0.00 -1.51 0.00 0.00 179.97 177.81 3hb9 h ARG 130 N -1.22 0.00 0.00 0.20 2.47 -1.19 -0.90 114.38 113.74 3hb9 h ARG 130 Ca -0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3hb9 h ARG 130 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 3hb9 h ARG 130 CO 0.20 0.00 -0.00 0.00 0.56 0.00 0.00 179.97 180.72 3hb9 h ALA 132 N 0.65 1.52 0.00 0.00 0.00 -0.99 -0.10 119.26 120.34 3hb9 h ALA 132 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hb9 h ALA 132 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hb9 h ALA 132 CO 0.00 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.98 3hb9 n GLU 133 N -4.17 0.08 0.00 0.00 1.02 -0.74 -3.19 120.64 113.64 3hb9 n GLU 133 Ca -0.02 0.16 0.03 0.00 -0.02 0.00 0.00 57.16 57.31 3hb9 n GLU 133 Cb 0.33 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 3hb9 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hb9 n GLU 134 N -1.76 0.29 -1.17 3.49 -0.58 -0.96 -5.00 120.64 114.95 3hb9 n GLU 134 Ca 0.05 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 3hb9 n GLU 134 Cb 0.31 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 3hb9 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hb9 n GLY 135 N 0.43 0.57 3.37 0.62 0.00 -0.94 -5.06 105.19 104.19 3hb9 n GLY 135 Ca 0.04 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3hb9 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb9 s ILE 136 N -2.00 3.57 -0.03 -0.61 1.09 -0.09 -4.91 121.20 118.21 3hb9 s ILE 136 Ca 0.00 -0.44 -0.30 0.00 -1.10 0.00 0.00 60.65 58.81 3hb9 s ILE 136 Cb 0.00 -2.61 -0.04 0.00 -1.06 0.00 0.00 42.46 38.75 3hb9 s ILE 136 CO 0.00 0.44 1.31 -0.75 -0.10 0.00 0.00 174.94 175.83 3hb9 s LYS 137 N 1.14 4.31 -0.38 2.79 2.36 0.33 -3.56 119.74 126.74 3hb9 s LYS 137 Ca 0.02 1.82 -0.26 0.00 -2.55 0.00 0.00 55.97 55.01 3hb9 s LYS 137 Cb -0.15 -3.58 0.02 0.00 -1.05 0.00 0.00 37.83 33.08 3hb9 s LYS 137 CO -0.00 -0.52 0.93 0.12 1.55 0.00 0.00 175.35 177.42 3hb9 s PHE 138 N 2.37 3.06 -1.19 4.03 2.19 -1.26 -1.74 117.98 125.43 3hb9 s PHE 138 Ca 0.60 0.73 -0.21 0.00 0.33 0.00 0.00 56.93 58.38 3hb9 s PHE 138 Cb -0.28 -3.69 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 3hb9 s PHE 138 CO 0.24 -0.86 1.79 0.42 1.83 0.00 0.00 175.22 178.64 3hb9 s ILE 139 N 3.51 3.84 0.00 3.12 1.01 -0.85 -4.73 121.20 127.10 3hb9 s ILE 139 Ca 0.38 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3hb9 s ILE 139 Cb -0.12 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.49 3hb9 s ILE 139 CO 0.20 -1.58 0.00 0.61 0.00 0.00 0.00 174.94 174.17 3hb9 n GLY 140 N 5.86 0.79 3.80 6.18 0.00 -1.26 -4.53 105.19 116.03 3hb9 n GLY 140 Ca 0.45 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 3hb9 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hb9 s PRO 141 N 0.06 0.85 0.82 1.61 0.04 -1.23 -4.59 135.00 132.57 3hb9 s PRO 141 Ca 0.00 0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.05 3hb9 s PRO 141 Cb 0.00 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.81 3hb9 s PRO 141 CO 0.00 -2.36 1.11 -1.01 0.04 0.00 0.00 177.00 174.78 3hb9 s HIS 142 N -3.37 2.24 0.40 0.56 3.76 -1.26 -4.88 115.29 112.74 3hb9 s HIS 142 Ca 0.66 1.63 0.14 0.00 -0.15 0.00 0.00 55.06 57.34 3hb9 s HIS 142 Cb -0.12 -3.15 0.99 0.00 1.11 0.00 0.00 32.58 31.40 3hb9 s HIS 142 CO 0.53 -2.16 1.89 -0.07 -0.85 0.00 0.00 174.74 174.08 3hb9 h LEU 143 N -1.40 0.48 -1.84 0.89 3.38 -1.96 -1.13 115.31 113.74 3hb9 h LEU 143 Ca -0.43 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hb9 h LEU 143 Cb 1.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hb9 h LEU 143 CO 0.48 0.23 -0.01 1.05 0.09 0.00 0.00 178.44 180.29 3hb9 h GLU 144 N 0.50 0.00 0.10 1.13 9.09 -2.00 -2.51 114.58 120.89 3hb9 h GLU 144 Ca 0.42 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.66 3hb9 h GLU 144 Cb 0.88 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.99 3hb9 h GLU 144 CO -0.16 0.01 -0.80 0.45 0.05 0.00 0.00 179.01 178.56 3hb9 h HIS 145 N 0.00 0.37 0.00 2.06 3.86 -1.55 -2.86 115.15 117.02 3hb9 h HIS 145 Ca -0.00 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 3hb9 h HIS 145 Cb 0.39 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3hb9 h HIS 145 CO 0.00 1.31 -0.11 -0.07 0.86 0.00 0.00 177.93 179.92 3hb9 h LEU 146 N -0.53 0.00 0.01 2.43 3.38 -1.50 -2.02 115.31 117.08 3hb9 h LEU 146 Ca -0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hb9 h LEU 146 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3hb9 h LEU 146 CO 0.08 0.11 -0.13 -0.78 0.09 0.00 0.00 178.44 177.81 3hb9 h ASP 147 N 0.00 0.11 1.10 -0.43 -0.00 -1.56 -2.47 116.42 113.17 3hb9 h ASP 147 Ca -0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.03 56.20 3hb9 h ASP 147 Cb 0.24 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 3hb9 h ASP 147 CO 0.01 0.93 0.00 0.00 -0.00 0.00 0.00 179.24 180.18 3hb9 h MET 148 N -0.70 0.00 -0.01 0.28 -0.00 -1.31 -2.96 114.93 110.23 3hb9 h MET 148 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3hb9 h MET 148 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 3hb9 h MET 148 CO 0.03 0.00 -0.01 1.19 -0.00 0.00 0.00 176.91 178.11 3hb9 n PHE 149 N -2.89 0.00 1.26 -0.10 0.99 -0.78 -2.97 117.46 112.97 3hb9 n PHE 149 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.49 3hb9 n PHE 149 Cb 0.32 0.00 0.09 0.00 -1.00 0.00 0.00 39.48 38.89 3hb9 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hb9 n GLY 150 N 0.59 0.19 3.54 1.37 0.00 -0.93 -4.72 105.19 105.23 3hb9 n GLY 150 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 3hb9 n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hb9 s ASP 151 N -0.89 -0.87 0.43 1.61 2.15 -1.26 -5.06 116.67 112.78 3hb9 s ASP 151 Ca 0.13 1.38 0.09 0.00 0.43 0.00 0.00 52.55 54.58 3hb9 s ASP 151 Cb 0.07 1.65 0.92 0.00 -0.30 0.00 0.00 42.92 45.26 3hb9 s ASP 151 CO 0.08 -0.23 2.07 0.50 -0.17 0.00 0.00 175.17 177.42 3hb9 h LYS 152 N 7.56 0.44 -0.27 4.34 3.64 -1.90 -1.38 116.57 128.99 3hb9 h LYS 152 Ca -0.24 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 3hb9 h LYS 152 Cb 1.16 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3hb9 h LYS 152 CO 0.15 0.30 0.10 0.28 -2.27 0.00 0.00 179.45 178.01 3hb9 h VAL 153 N 0.45 1.18 -0.00 2.00 2.07 -1.97 -2.46 116.25 117.52 3hb9 h VAL 153 Ca 0.12 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hb9 h VAL 153 Cb -0.03 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3hb9 h VAL 153 CO -0.02 0.19 -0.05 0.29 0.02 0.00 0.00 177.57 178.00 3hb9 n LYS 154 N -4.75 0.94 -0.03 1.57 5.02 -0.97 -3.13 118.16 116.81 3hb9 n LYS 154 Ca -0.03 -0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 55.76 3hb9 n LYS 154 Cb 0.14 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.53 3hb9 n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hb9 h ALA 155 N 3.85 0.22 0.00 7.82 0.00 -0.99 -3.28 119.26 126.87 3hb9 h ALA 155 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 54.91 53.68 3hb9 h ALA 155 Cb 0.28 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3hb9 h ALA 155 CO 0.00 0.78 -0.57 0.00 0.00 0.00 0.00 179.25 179.46 3hb9 h ARG 156 N -0.52 0.00 -0.34 0.00 3.08 -1.52 -1.31 114.38 113.77 3hb9 h ARG 156 Ca -0.31 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.63 3hb9 h ARG 156 Cb 1.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 3hb9 h ARG 156 CO -0.02 0.57 -0.26 1.15 -1.07 0.00 0.00 179.97 180.33 3hb9 h THR 157 N 0.00 1.27 -0.11 2.04 2.02 -1.72 -1.54 112.91 114.87 3hb9 h THR 157 Ca -0.01 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3hb9 h THR 157 Cb 1.08 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3hb9 h THR 157 CO 0.07 0.45 0.00 0.35 0.37 0.00 0.00 175.52 176.76 3hb9 n THR 158 N -4.10 0.14 -0.08 3.16 -2.24 -1.12 -2.37 114.28 107.66 3hb9 n THR 158 Ca -0.00 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.23 3hb9 n THR 158 Cb 0.45 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 3hb9 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb9 n ALA 159 N 0.29 0.90 0.24 6.98 0.00 -0.51 -3.85 120.51 124.56 3hb9 n ALA 159 Ca 0.17 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 53.12 3hb9 n ALA 159 Cb 0.35 -0.48 0.42 0.00 0.00 0.00 0.00 19.45 19.73 3hb9 n ALA 159 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hb9 h ILE 160 N -0.67 0.18 -0.49 0.00 2.04 -1.40 -1.39 117.51 115.78 3hb9 h ILE 160 Ca -0.43 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 3hb9 h ILE 160 Cb 1.57 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 3hb9 h ILE 160 CO -0.16 0.09 0.02 0.50 0.00 0.00 0.00 178.15 178.60 3hb9 h LYS 161 N 0.00 0.81 -0.20 2.37 1.63 -1.65 -1.31 116.57 118.21 3hb9 h LYS 161 Ca -0.00 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3hb9 h LYS 161 Cb 0.79 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 3hb9 h LYS 161 CO 0.01 0.80 0.00 0.00 -3.45 0.00 0.00 179.45 176.81 3hb9 n ALA 162 N -2.47 2.50 -2.80 5.00 0.00 -1.04 -5.00 120.51 116.70 3hb9 n ALA 162 Ca 0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 52.83 3hb9 n ALA 162 Cb 0.29 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.69 3hb9 n ALA 162 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hb9 n ASP 163 N 0.49 -7.94 -3.81 0.00 -0.08 -0.50 -4.87 116.55 99.84 3hb9 n ASP 163 Ca 0.16 0.98 -0.13 0.00 -1.51 0.00 0.00 54.79 54.29 3hb9 n ASP 163 Cb 0.36 -5.24 -0.14 0.00 2.34 0.00 0.00 41.12 38.44 3hb9 n ASP 163 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3hb9 s LEU 164 N -2.09 1.38 0.16 -2.67 2.96 -0.65 -4.94 118.68 112.82 3hb9 s LEU 164 Ca 0.12 0.12 -0.34 0.00 -0.22 0.00 0.00 54.13 53.82 3hb9 s LEU 164 Cb -0.03 0.14 -0.15 0.00 0.50 0.00 0.00 46.19 46.65 3hb9 s LEU 164 CO 0.77 -0.08 1.34 -2.65 -1.32 0.00 0.00 176.35 174.41 3hb9 n PRO 165 N 3.61 1.53 -3.87 0.98 -0.02 -1.26 -4.41 135.00 131.56 3hb9 n PRO 165 Ca -0.20 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 3hb9 n PRO 165 Cb 0.55 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 3hb9 n PRO 165 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hb9 s VAL 166 N 0.20 0.02 -0.02 -1.45 1.01 -1.26 -1.49 120.40 117.40 3hb9 s VAL 166 Ca 0.76 -0.16 -0.39 0.00 0.00 0.00 0.00 61.98 62.20 3hb9 s VAL 166 Cb -0.80 -0.11 -0.17 0.00 0.00 0.00 0.00 36.38 35.30 3hb9 s VAL 166 CO 0.48 -0.09 1.37 -0.38 0.00 0.00 0.00 175.10 176.48 3hb9 n ILE 167 N 2.78 0.05 0.27 2.22 2.08 -1.26 -4.92 119.36 120.58 3hb9 n ILE 167 Ca -0.14 -0.01 -0.15 0.00 0.56 0.00 0.00 62.75 63.01 3hb9 n ILE 167 Cb 0.59 -0.70 -0.08 0.00 -0.75 0.00 0.00 39.64 38.70 3hb9 n ILE 167 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3hb9 h PRO 168 N 4.70 -0.67 0.00 0.38 0.13 -2.00 -3.52 132.00 131.02 3hb9 h PRO 168 Ca -0.48 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hb9 h PRO 168 Cb 1.35 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.64 3hb9 h PRO 168 CO 0.79 -0.36 0.00 -0.89 -0.23 0.00 0.00 178.00 177.31 3hb9 n ILE 239 N -5.30 0.00 -1.67 -3.56 2.08 -1.26 -5.34 119.36 104.31 3hb9 n ILE 239 Ca -0.11 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.77 3hb9 n ILE 239 Cb 0.32 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.18 3hb9 n ILE 239 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3hb9 n ASP 240 N 0.00 4.09 -2.97 4.38 8.00 -1.26 -3.84 116.55 124.95 3hb9 n ASP 240 Ca 0.00 0.94 -0.10 0.00 0.71 0.00 0.00 54.79 56.34 3hb9 n ASP 240 Cb 0.00 -1.53 0.01 0.00 -0.02 0.00 0.00 41.12 39.59 3hb9 n ASP 240 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3hb9 n ASN 241 N 6.78 -7.65 -4.63 -2.24 4.05 -1.26 -4.49 115.26 105.82 3hb9 n ASN 241 Ca 0.19 0.33 -0.42 0.00 0.45 0.00 0.00 54.58 55.13 3hb9 n ASN 241 Cb 0.39 -4.97 -0.03 0.00 1.23 0.00 0.00 39.78 36.39 3hb9 n ASN 241 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3hb9 s PRO 242 N -2.72 4.05 -0.26 1.20 0.04 -1.25 -4.53 135.00 131.53 3hb9 s PRO 242 Ca 0.21 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 3hb9 s PRO 242 Cb -0.05 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 3hb9 s PRO 242 CO 0.78 -0.75 0.09 0.15 0.04 0.00 0.00 177.00 177.31 3hb9 s LYS 243 N 3.26 3.62 -0.78 4.56 1.02 -1.08 -3.10 119.74 127.24 3hb9 s LYS 243 Ca 0.39 -0.51 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 3hb9 s LYS 243 Cb -0.13 -3.39 0.05 0.00 -0.52 0.00 0.00 37.83 33.83 3hb9 s LYS 243 CO 0.12 -0.23 1.23 -1.58 -0.92 0.00 0.00 175.35 173.98 3hb9 s HIS 244 N 1.63 2.46 -0.12 3.18 2.46 -1.26 -1.78 115.29 121.86 3hb9 s HIS 244 Ca 0.06 -0.38 0.01 0.00 0.47 0.00 0.00 55.06 55.23 3hb9 s HIS 244 Cb -0.16 -4.55 -0.01 0.00 -0.13 0.00 0.00 32.58 27.74 3hb9 s HIS 244 CO 0.05 -1.93 -0.17 0.42 -2.47 0.00 0.00 174.74 170.64 3hb9 s ILE 245 N 5.06 2.72 0.07 0.89 1.01 -1.19 -0.26 121.20 129.50 3hb9 s ILE 245 Ca 0.34 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.29 3hb9 s ILE 245 Cb -0.08 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 3hb9 s ILE 245 CO 0.08 0.54 -0.22 -1.61 0.00 0.00 0.00 174.94 173.73 3hb9 s GLU 246 N 0.32 1.31 -0.15 2.79 2.02 -0.49 -0.86 118.70 123.63 3hb9 s GLU 246 Ca -0.13 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.77 3hb9 s GLU 246 Cb -0.16 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.53 3hb9 s GLU 246 CO 0.07 0.37 -0.08 0.08 0.02 0.00 0.00 175.26 175.72 3hb9 s VAL 247 N -0.97 3.38 -0.08 2.63 1.01 -0.59 0.26 120.40 126.04 3hb9 s VAL 247 Ca 0.08 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 3hb9 s VAL 247 Cb -0.09 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3hb9 s VAL 247 CO 0.03 0.50 0.86 -1.58 0.00 0.00 0.00 175.10 174.91 3hb9 s GLN 248 N 0.55 4.44 0.01 2.72 2.00 -1.13 -2.06 119.66 126.19 3hb9 s GLN 248 Ca -0.06 1.14 0.03 0.00 -2.00 0.00 0.00 55.36 54.48 3hb9 s GLN 248 Cb -0.15 -3.50 -0.01 0.00 0.80 0.00 0.00 33.01 30.15 3hb9 s GLN 248 CO 0.03 -0.12 -0.10 0.14 -0.50 0.00 0.00 175.29 174.74 3hb9 s VAL 249 N 1.36 0.76 -0.08 1.34 -7.23 -0.33 -0.71 120.40 115.51 3hb9 s VAL 249 Ca 0.43 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 60.04 3hb9 s VAL 249 Cb -0.18 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.09 3hb9 s VAL 249 CO 0.20 0.09 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.30 3hb9 s ILE 250 N -0.47 1.36 0.25 -0.62 1.01 -0.79 -0.50 121.20 121.44 3hb9 s ILE 250 Ca 0.01 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.16 3hb9 s ILE 250 Cb -0.05 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 3hb9 s ILE 250 CO 0.00 0.41 -0.16 -0.83 0.00 0.00 0.00 174.94 174.36 3hb9 s GLY 251 N 0.72 1.71 0.52 6.18 0.00 -0.89 -2.23 107.32 113.33 3hb9 s GLY 251 Ca -0.13 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.82 3hb9 s GLY 251 CO 0.03 -1.88 0.17 0.51 0.00 0.00 0.00 173.10 171.94 3hb9 s ASP 252 N -3.43 4.34 0.00 1.64 3.84 -1.26 0.12 116.67 121.92 3hb9 s ASP 252 Ca 0.27 -1.45 0.00 0.00 -0.00 0.00 0.00 52.55 51.37 3hb9 s ASP 252 Cb -0.02 0.40 0.00 0.00 -1.38 0.00 0.00 42.92 41.92 3hb9 s ASP 252 CO 0.11 -0.93 0.66 -0.62 -0.00 0.00 0.00 175.17 174.40 3hb9 n GLU 253 N -1.46 0.98 0.00 2.11 1.02 -1.26 -3.38 120.64 118.65 3hb9 n GLU 253 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3hb9 n GLU 253 Cb 0.66 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 3hb9 n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hb9 n HIS 254 N 0.18 0.00 -2.65 -0.32 8.25 -1.26 -5.03 115.22 114.38 3hb9 n HIS 254 Ca 0.00 -0.17 -0.06 0.00 -0.26 0.00 0.00 57.72 57.23 3hb9 n HIS 254 Cb 0.33 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.44 3hb9 n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hb9 n GLY 255 N -0.17 0.43 2.75 -1.41 0.00 -1.22 -5.01 105.19 100.56 3hb9 n GLY 255 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3hb9 n GLY 255 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hb9 n ASN 256 N -0.39 3.97 -4.57 1.61 5.03 -1.26 -5.02 115.26 114.63 3hb9 n ASN 256 Ca -0.03 -3.56 -0.43 0.00 0.87 0.00 0.00 54.58 51.43 3hb9 n ASN 256 Cb 0.53 -0.59 -0.03 0.00 -1.02 0.00 0.00 39.78 38.66 3hb9 n ASN 256 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hb9 s ILE 257 N -3.80 4.30 0.28 2.41 1.09 -1.26 -4.19 121.20 120.04 3hb9 s ILE 257 Ca 0.46 0.81 0.11 0.00 -1.10 0.00 0.00 60.65 60.93 3hb9 s ILE 257 Cb 0.25 -4.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.05 3hb9 s ILE 257 CO -0.11 -1.03 -0.13 0.68 -0.10 0.00 0.00 174.94 174.26 3hb9 s VAL 258 N 4.20 2.71 0.41 2.92 -7.23 -0.95 -4.93 120.40 117.54 3hb9 s VAL 258 Ca 0.40 -2.25 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 3hb9 s VAL 258 Cb -0.09 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.36 3hb9 s VAL 258 CO 0.26 -0.37 0.58 -1.38 -0.31 0.00 0.00 175.10 173.88 3hb9 s HIS 259 N -2.47 2.96 -0.30 2.82 -3.43 -1.26 -1.89 115.29 111.71 3hb9 s HIS 259 Ca 0.31 -0.22 0.13 0.00 -0.80 0.00 0.00 55.06 54.48 3hb9 s HIS 259 Cb -0.05 -2.30 0.47 0.00 -1.43 0.00 0.00 32.58 29.28 3hb9 s HIS 259 CO 0.17 -0.34 1.12 1.28 -2.00 0.00 0.00 174.74 174.96 3hb9 n LEU 260 N -1.88 3.33 -1.23 5.38 4.77 0.11 -4.90 117.00 122.60 3hb9 n LEU 260 Ca 0.05 -4.10 0.16 0.00 -0.03 0.00 0.00 56.01 52.09 3hb9 n LEU 260 Cb 0.59 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 3hb9 n LEU 260 CO 0.42 1.69 -0.32 0.49 -1.33 0.00 0.00 177.39 178.34 3hb9 n PHE 261 N -0.56 -3.15 -1.34 -1.77 3.01 -1.26 -4.75 117.46 107.64 3hb9 n PHE 261 Ca 0.26 1.61 -0.14 0.00 1.01 0.00 0.00 57.45 60.20 3hb9 n PHE 261 Cb 0.85 -2.86 0.10 0.00 -0.01 0.00 0.00 39.48 37.56 3hb9 n PHE 261 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3hb9 n GLU 262 N -3.92 -0.80 -3.43 -1.08 -0.00 -1.26 -2.83 120.64 107.32 3hb9 n GLU 262 Ca -0.02 -0.94 -0.01 0.00 -0.00 0.00 0.00 57.16 56.19 3hb9 n GLU 262 Cb 0.57 -0.66 -0.04 0.00 -0.00 0.00 0.00 31.44 31.31 3hb9 n GLU 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3hb9 s ARG 263 N -4.33 0.51 -0.46 3.44 3.52 0.14 -4.73 118.95 117.04 3hb9 s ARG 263 Ca 0.35 1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 56.77 3hb9 s ARG 263 Cb -0.01 0.50 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 3hb9 s ARG 263 CO 0.25 -0.42 1.15 0.34 -0.81 0.00 0.00 175.30 175.81 3hb9 s ASP 264 N 2.80 6.64 -0.25 -2.12 3.68 0.25 -1.39 116.67 126.28 3hb9 s ASP 264 Ca 0.07 0.53 0.12 0.00 2.13 0.00 0.00 52.55 55.40 3hb9 s ASP 264 Cb -0.14 -2.55 0.49 0.00 -1.45 0.00 0.00 42.92 39.27 3hb9 s ASP 264 CO -0.18 -1.23 1.41 0.00 0.13 0.00 0.00 175.17 175.30 3hb9 h SER 266 N 1.10 0.00 -2.48 0.00 0.02 -1.77 -3.41 113.55 107.00 3hb9 h SER 266 Ca 0.14 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.48 3hb9 h SER 266 Cb 1.51 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.93 3hb9 h SER 266 CO 0.29 0.34 0.75 0.68 -1.14 0.00 0.00 176.83 177.75 3hb9 s VAL 267 N -3.83 4.17 -0.04 2.27 -7.23 -1.26 -3.60 120.40 110.89 3hb9 s VAL 267 Ca -0.01 -0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 3hb9 s VAL 267 Cb 0.12 -4.77 0.02 0.00 0.56 0.00 0.00 36.38 32.31 3hb9 s VAL 267 CO 0.68 -1.59 0.30 0.00 -0.31 0.00 0.00 175.10 174.18 3hb9 s GLN 268 N 4.45 0.58 -0.01 4.82 -2.07 -1.26 -2.02 119.66 124.15 3hb9 s GLN 268 Ca 0.27 -0.04 -0.04 0.00 -1.82 0.00 0.00 55.36 53.73 3hb9 s GLN 268 Cb -0.13 0.26 -0.28 0.00 -1.09 0.00 0.00 33.01 31.77 3hb9 s GLN 268 CO 0.09 -0.14 0.82 0.07 -1.32 0.00 0.00 175.29 174.81 3hb9 h ARG 269 N 4.35 0.27 0.00 9.60 -0.00 -1.85 -3.41 114.38 123.34 3hb9 h ARG 269 Ca -0.29 -0.47 0.00 0.00 -0.00 0.00 0.00 59.98 59.22 3hb9 h ARG 269 Cb 1.18 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 3hb9 h ARG 269 CO 0.38 1.14 0.00 0.54 -0.00 0.00 0.00 179.97 182.03 3hb9 n ARG 270 N -3.47 1.63 0.00 0.08 1.74 -1.26 -4.84 116.66 110.54 3hb9 n ARG 270 Ca -0.18 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.05 3hb9 n ARG 270 Cb 1.05 0.00 0.67 0.00 -1.02 0.00 0.00 32.46 33.16 3hb9 n ARG 270 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3hb9 n HIS 271 N 0.00 0.00 -2.97 -1.55 -0.00 -1.26 -4.76 115.22 104.68 3hb9 n HIS 271 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 3hb9 n HIS 271 Cb 0.00 -0.04 -0.05 0.00 -0.12 0.00 0.00 29.99 29.78 3hb9 n HIS 271 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 3hb9 s GLN 272 N -2.11 4.17 0.33 1.57 -0.44 -1.26 -5.04 119.66 116.88 3hb9 s GLN 272 Ca 0.39 0.81 -0.27 0.00 -2.50 0.00 0.00 55.36 53.79 3hb9 s GLN 272 Cb 0.21 -3.64 -0.09 0.00 -1.64 0.00 0.00 33.01 27.85 3hb9 s GLN 272 CO 0.38 -0.46 1.09 0.15 0.50 0.00 0.00 175.29 176.95 3hb9 s LYS 273 N 2.63 4.42 -0.11 1.67 1.02 -1.26 -3.27 119.74 124.85 3hb9 s LYS 273 Ca 0.32 1.71 -0.06 0.00 0.02 0.00 0.00 55.97 57.96 3hb9 s LYS 273 Cb -0.15 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 3hb9 s LYS 273 CO 0.08 0.04 -0.16 0.28 -0.92 0.00 0.00 175.35 174.68 3hb9 n VAL 274 N 0.66 0.79 -4.05 3.17 0.31 -1.18 -4.91 118.33 113.12 3hb9 n VAL 274 Ca 0.01 -0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 3hb9 n VAL 274 Cb 0.47 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.57 3hb9 n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hb9 s VAL 275 N -2.25 0.40 0.12 2.52 1.01 -0.85 -4.20 120.40 117.15 3hb9 s VAL 275 Ca -0.17 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.72 3hb9 s VAL 275 Cb 0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3hb9 s VAL 275 CO 0.21 -0.50 -0.14 -1.61 0.00 0.00 0.00 175.10 173.06 3hb9 s GLU 276 N -1.89 1.03 0.01 2.72 8.01 -0.49 -4.16 118.70 123.93 3hb9 s GLU 276 Ca -0.09 -1.25 0.02 0.00 0.01 0.00 0.00 54.97 53.66 3hb9 s GLU 276 Cb -0.08 -0.89 -0.01 0.00 -4.31 0.00 0.00 34.13 28.84 3hb9 s GLU 276 CO -0.01 0.17 -0.06 0.08 0.01 0.00 0.00 175.26 175.45 3hb9 s VAL 277 N -2.21 0.45 -0.14 2.63 1.01 0.65 -1.75 120.40 121.05 3hb9 s VAL 277 Ca 0.09 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 3hb9 s VAL 277 Cb -0.04 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 35.98 3hb9 s VAL 277 CO 0.03 0.01 0.33 0.00 0.00 0.00 0.00 175.10 175.47 3hb9 s ALA 278 N -0.40 -0.81 1.05 5.51 0.00 -0.15 0.84 121.76 127.81 3hb9 s ALA 278 Ca -0.00 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 3hb9 s ALA 278 Cb -0.04 -0.84 0.22 0.00 0.00 0.00 0.00 23.12 22.46 3hb9 s ALA 278 CO -0.00 -0.30 1.15 -1.25 0.00 0.00 0.00 175.76 175.36 3hb9 s PRO 279 N 1.50 -0.03 -0.09 0.00 0.04 -1.26 0.33 135.00 135.50 3hb9 s PRO 279 Ca -0.08 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 3hb9 s PRO 279 Cb -0.10 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 3hb9 s PRO 279 CO -0.11 -2.94 1.62 0.45 0.04 0.00 0.00 177.00 176.06 3hb9 s SER 280 N -4.00 6.65 -0.07 6.66 0.15 -1.26 -4.78 113.70 117.04 3hb9 s SER 280 Ca 0.68 2.10 -0.21 0.00 0.70 0.00 0.00 55.95 59.23 3hb9 s SER 280 Cb -0.12 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 3hb9 s SER 280 CO 0.55 -0.96 0.60 -0.69 1.20 0.00 0.00 173.24 173.94 3hb9 s VAL 281 N 4.18 5.06 0.00 4.45 1.01 -1.26 -3.78 120.40 130.05 3hb9 s VAL 281 Ca 0.72 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.93 3hb9 s VAL 281 Cb -0.31 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3hb9 s VAL 281 CO 0.28 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3hb9 n GLY 282 N 2.98 3.15 3.68 4.51 0.00 -1.26 -3.78 105.19 114.47 3hb9 n GLY 282 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3hb9 n GLY 282 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hb9 s LEU 283 N 0.00 4.33 0.35 0.99 2.96 -1.25 -4.94 118.68 121.12 3hb9 s LEU 283 Ca 0.00 2.26 -0.28 0.00 -0.22 0.00 0.00 54.13 55.89 3hb9 s LEU 283 Cb 0.00 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.02 3hb9 s LEU 283 CO 0.00 -0.85 1.33 -1.54 -1.32 0.00 0.00 176.35 173.97 3hb9 n SER 284 N 6.11 2.96 -0.22 3.68 3.41 -1.26 -4.85 113.62 123.45 3hb9 n SER 284 Ca 0.15 1.21 0.05 0.00 -0.26 0.00 0.00 58.87 60.02 3hb9 n SER 284 Cb 0.42 -1.51 0.30 0.00 -0.26 0.00 0.00 64.21 63.17 3hb9 n SER 284 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hb9 h PRO 285 N 2.66 0.85 0.00 4.33 0.13 -1.98 -1.96 132.00 136.03 3hb9 h PRO 285 Ca -0.47 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3hb9 h PRO 285 Cb 1.28 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3hb9 h PRO 285 CO 0.63 0.56 -0.34 1.79 -0.23 0.00 0.00 178.00 180.42 3hb9 h THR 286 N 0.88 0.67 0.03 1.56 1.35 -2.02 -3.05 112.91 112.32 3hb9 h THR 286 Ca 0.33 -1.60 -0.24 0.00 -0.55 0.00 0.00 66.41 64.35 3hb9 h THR 286 Cb 0.19 2.07 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3hb9 h THR 286 CO -0.11 0.33 -1.01 0.25 -0.25 0.00 0.00 175.52 174.73 3hb9 h LEU 287 N 0.00 0.56 -0.61 3.87 6.46 -1.79 -3.34 115.31 120.46 3hb9 h LEU 287 Ca -0.00 -0.47 0.07 0.00 -0.12 0.00 0.00 57.88 57.36 3hb9 h LEU 287 Cb 1.04 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.74 3hb9 h LEU 287 CO 0.04 1.28 0.30 -0.09 -0.62 0.00 0.00 178.44 179.35 3hb9 h ARG 288 N 0.22 0.54 -0.01 1.25 2.43 -1.26 -2.90 114.38 114.64 3hb9 h ARG 288 Ca -0.10 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hb9 h ARG 288 Cb 1.66 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 3hb9 h ARG 288 CO 0.18 0.35 0.00 0.37 -1.51 0.00 0.00 179.97 179.36 3hb9 h GLN 289 N 0.55 0.01 -0.04 0.20 5.75 -1.67 -2.94 115.11 116.98 3hb9 h GLN 289 Ca 0.28 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.68 3hb9 h GLN 289 Cb 0.24 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3hb9 h GLN 289 CO -0.21 0.13 -0.47 0.00 -2.65 0.00 0.00 178.83 175.63 3hb9 h ARG 290 N -0.11 0.09 -0.26 1.69 3.08 -1.68 0.76 114.38 117.95 3hb9 h ARG 290 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3hb9 h ARG 290 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hb9 h ARG 290 CO -0.00 0.55 0.12 0.82 -1.07 0.00 0.00 179.97 180.38 3hb9 h ILE 291 N 0.08 1.16 -0.63 2.04 2.04 -1.51 0.13 117.51 120.82 3hb9 h ILE 291 Ca 0.00 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 3hb9 h ILE 291 Cb 0.86 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3hb9 h ILE 291 CO 0.07 0.16 0.04 0.00 0.00 0.00 0.00 178.15 178.42 3hb9 h ASP 293 N 1.00 0.31 -0.35 0.00 5.19 -0.64 -0.44 116.42 121.49 3hb9 h ASP 293 Ca 0.18 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.42 3hb9 h ASP 293 Cb 0.52 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 3hb9 h ASP 293 CO 0.03 0.47 -0.17 0.00 -3.12 0.00 0.00 179.24 176.45 3hb9 h ALA 294 N 1.56 0.90 -0.27 3.45 0.00 -0.87 0.47 119.26 124.50 3hb9 h ALA 294 Ca 0.06 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3hb9 h ALA 294 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hb9 h ALA 294 CO 0.02 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.62 3hb9 h ALA 295 N 1.09 1.01 -0.29 0.00 0.00 -1.17 -1.32 119.26 118.57 3hb9 h ALA 295 Ca 0.11 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3hb9 h ALA 295 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hb9 h ALA 295 CO 0.05 0.59 -0.39 0.82 0.00 0.00 0.00 179.25 180.32 3hb9 h ILE 296 N 0.47 1.29 -0.62 0.00 1.08 -0.91 -2.39 117.51 116.43 3hb9 h ILE 296 Ca 0.06 -1.56 -0.05 0.00 -0.39 0.00 0.00 64.86 62.92 3hb9 h ILE 296 Cb 0.73 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 3hb9 h ILE 296 CO 0.06 0.50 0.19 1.56 -0.69 0.00 0.00 178.15 179.77 3hb9 h GLN 297 N 0.57 0.97 -0.03 2.37 1.08 -0.61 -2.65 115.11 116.82 3hb9 h GLN 297 Ca 0.05 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 3hb9 h GLN 297 Cb 0.92 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 28.22 3hb9 h GLN 297 CO 0.08 0.86 -0.32 1.25 -0.95 0.00 0.00 178.83 179.75 3hb9 h LEU 298 N 0.89 0.33 -0.12 1.46 5.85 -1.23 -2.97 115.31 119.52 3hb9 h LEU 298 Ca 0.20 -0.72 -0.13 0.00 0.84 0.00 0.00 57.88 58.07 3hb9 h LEU 298 Cb 0.30 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hb9 h LEU 298 CO -0.01 1.00 -0.61 0.24 -0.34 0.00 0.00 178.44 178.73 3hb9 h MET 299 N -0.31 0.00 0.01 1.25 2.86 -1.51 -2.91 114.93 114.31 3hb9 h MET 299 Ca -0.03 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.40 3hb9 h MET 299 Cb 1.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 3hb9 h MET 299 CO 0.06 0.61 -0.97 1.49 1.06 0.00 0.00 176.91 179.16 3hb9 h GLU 300 N 0.00 0.02 -0.59 1.72 4.81 -1.61 0.18 114.58 119.11 3hb9 h GLU 300 Ca -0.01 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3hb9 h GLU 300 Cb 1.42 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 3hb9 h GLU 300 CO 0.08 0.97 0.04 -0.97 -0.73 0.00 0.00 179.01 178.40 3hb9 h ASN 301 N 0.01 0.96 0.26 1.04 -1.24 -1.44 -2.91 115.58 112.26 3hb9 h ASN 301 Ca -0.02 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.75 3hb9 h ASN 301 Cb 1.71 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.50 3hb9 h ASN 301 CO 0.13 1.00 -0.23 2.30 -1.29 0.00 0.00 177.43 179.33 3hb9 n ILE 302 N -4.20 0.00 -3.00 2.57 -5.35 -1.11 -4.99 119.36 103.29 3hb9 n ILE 302 Ca 0.03 -0.12 -0.04 0.00 -0.27 0.00 0.00 62.75 62.36 3hb9 n ILE 302 Cb 0.31 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3hb9 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hb9 n LYS 303 N -0.69 -1.72 -2.96 6.28 4.01 -1.10 -5.00 118.16 116.98 3hb9 n LYS 303 Ca 0.12 1.72 -0.32 0.00 -0.51 0.00 0.00 58.31 59.32 3hb9 n LYS 303 Cb 0.34 -5.67 -0.06 0.00 -0.51 0.00 0.00 35.03 29.13 3hb9 n LYS 303 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 3hb9 s TYR 304 N -2.85 3.38 -0.01 2.13 6.14 0.03 -4.98 117.35 121.19 3hb9 s TYR 304 Ca 0.09 1.30 0.04 0.00 0.64 0.00 0.00 57.07 59.14 3hb9 s TYR 304 Cb -0.03 -2.61 -0.01 0.00 0.42 0.00 0.00 41.96 39.73 3hb9 s TYR 304 CO 0.76 -0.02 -0.12 0.08 0.64 0.00 0.00 175.55 176.89 3hb9 s VAL 305 N -2.14 0.97 0.00 3.14 1.01 -1.26 -4.17 120.40 117.95 3hb9 s VAL 305 Ca 0.56 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3hb9 s VAL 305 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3hb9 s VAL 305 CO 0.20 0.28 0.00 0.59 0.00 0.00 0.00 175.10 176.16 3hb9 n ASN 306 N 2.85 -1.57 -4.71 3.32 3.02 0.12 -3.49 115.26 114.81 3hb9 n ASN 306 Ca -0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.98 3hb9 n ASN 306 Cb 0.55 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3hb9 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hb9 s ALA 307 N -1.38 3.33 0.07 5.41 0.00 -1.26 -2.08 121.76 125.84 3hb9 s ALA 307 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 3hb9 s ALA 307 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3hb9 s ALA 307 CO 0.00 -0.39 0.08 0.20 0.00 0.00 0.00 175.76 175.65 3hb9 s GLY 308 N 1.06 0.32 -0.04 0.00 0.00 0.35 -2.93 107.32 106.08 3hb9 s GLY 308 Ca 0.57 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 3hb9 s GLY 308 CO 0.29 -1.08 0.03 -1.59 0.00 0.00 0.00 173.10 170.74 3hb9 s THR 309 N -3.90 0.04 -0.28 0.90 2.01 -0.07 -1.19 115.64 113.15 3hb9 s THR 309 Ca 0.07 0.24 -0.10 0.00 0.31 0.00 0.00 61.69 62.22 3hb9 s THR 309 Cb 0.06 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 3hb9 s THR 309 CO -0.10 0.16 0.15 -0.69 -0.69 0.00 0.00 174.62 173.45 3hb9 s VAL 310 N 1.55 4.84 -0.25 3.82 1.01 -0.87 -0.18 120.40 130.31 3hb9 s VAL 310 Ca -0.03 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3hb9 s VAL 310 Cb -0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3hb9 s VAL 310 CO -0.03 0.22 0.61 -1.61 0.00 0.00 0.00 175.10 174.29 3hb9 s GLU 311 N 1.68 4.12 0.54 2.72 2.02 0.28 -1.55 118.70 128.50 3hb9 s GLU 311 Ca 0.06 0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.60 3hb9 s GLU 311 Cb -0.16 -3.64 0.02 0.00 0.10 0.00 0.00 34.13 30.45 3hb9 s GLU 311 CO 0.08 -0.37 0.22 -0.06 0.02 0.00 0.00 175.26 175.15 3hb9 s PHE 312 N 2.36 1.69 -0.12 1.61 0.40 -0.04 -0.37 117.98 123.50 3hb9 s PHE 312 Ca 0.26 -0.91 -0.06 0.00 -0.60 0.00 0.00 56.93 55.61 3hb9 s PHE 312 Cb -0.16 -1.77 0.05 0.00 0.51 0.00 0.00 43.02 41.66 3hb9 s PHE 312 CO 0.09 -0.18 0.29 -1.17 0.70 0.00 0.00 175.22 174.95 3hb9 s LEU 313 N -4.11 0.23 -0.24 -0.37 2.96 0.26 -3.17 118.68 114.24 3hb9 s LEU 313 Ca 0.20 0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 3hb9 s LEU 313 Cb -0.01 0.90 -0.05 0.00 0.50 0.00 0.00 46.19 47.53 3hb9 s LEU 313 CO 0.12 -0.18 0.15 -0.69 -1.32 0.00 0.00 176.35 174.43 3hb9 s VAL 314 N 1.39 5.23 0.00 1.68 1.01 -0.73 -1.25 120.40 127.73 3hb9 s VAL 314 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3hb9 s VAL 314 Cb -0.10 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3hb9 s VAL 314 CO -0.10 0.34 0.00 -0.24 0.00 0.00 0.00 175.10 175.10 3hb9 n SER 315 N 4.37 0.00 0.08 3.32 2.88 -0.83 -2.63 113.62 120.82 3hb9 n SER 315 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3hb9 n SER 315 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3hb9 n SER 315 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hb9 n GLY 317 N 2.81 -0.15 0.00 0.46 0.00 -1.26 -4.68 105.19 102.36 3hb9 n GLY 317 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hb9 n GLY 317 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb9 n ASP 318 N -3.44 1.01 -4.25 1.61 -0.08 -1.26 -5.01 116.55 105.12 3hb9 n ASP 318 Ca 0.00 -1.48 -0.14 0.00 -1.51 0.00 0.00 54.79 51.66 3hb9 n ASP 318 Cb 0.02 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 3hb9 n ASP 318 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3hb9 s GLU 319 N -0.48 1.09 0.18 -0.67 2.12 -1.26 -4.99 118.70 114.68 3hb9 s GLU 319 Ca 0.00 -1.48 0.07 0.00 0.36 0.00 0.00 54.97 53.91 3hb9 s GLU 319 Cb 0.00 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 3hb9 s GLU 319 CO 0.00 0.02 -0.14 -0.59 -0.54 0.00 0.00 175.26 174.02 3hb9 s PHE 320 N -3.39 1.58 -0.01 5.30 -0.71 -1.26 -1.97 117.98 117.51 3hb9 s PHE 320 Ca 0.19 -0.60 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 3hb9 s PHE 320 Cb 0.04 -0.76 0.02 0.00 -1.21 0.00 0.00 43.02 41.10 3hb9 s PHE 320 CO 0.02 0.27 0.01 -0.06 -1.34 0.00 0.00 175.22 174.11 3hb9 s PHE 321 N -2.87 0.06 0.25 3.49 0.40 -0.38 -4.76 117.98 114.17 3hb9 s PHE 321 Ca 0.19 0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 56.27 3hb9 s PHE 321 Cb -0.01 -0.16 -0.09 0.00 0.51 0.00 0.00 43.02 43.27 3hb9 s PHE 321 CO 0.05 -0.05 0.99 0.12 0.70 0.00 0.00 175.22 177.03 3hb9 s PHE 322 N 0.57 3.85 0.00 0.36 2.19 -0.56 -0.57 117.98 123.83 3hb9 s PHE 322 Ca -0.05 1.84 -0.04 0.00 0.33 0.00 0.00 56.93 59.02 3hb9 s PHE 322 Cb -0.07 -3.08 -0.01 0.00 -1.31 0.00 0.00 43.02 38.55 3hb9 s PHE 322 CO -0.02 0.13 -0.07 -0.89 1.83 0.00 0.00 175.22 176.20 3hb9 n ILE 323 N 1.46 0.77 -3.83 3.12 2.08 0.50 -4.35 119.36 119.12 3hb9 n ILE 323 Ca -0.02 0.26 -0.06 0.00 0.56 0.00 0.00 62.75 63.49 3hb9 n ILE 323 Cb 0.46 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 3hb9 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hb9 s GLU 324 N -1.76 1.77 -0.13 0.38 -1.05 -1.24 -4.94 118.70 111.72 3hb9 s GLU 324 Ca -0.06 -1.07 0.02 0.00 -0.15 0.00 0.00 54.97 53.71 3hb9 s GLU 324 Cb 0.01 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.25 3hb9 s GLU 324 CO 0.09 -0.82 -0.19 0.08 0.95 0.00 0.00 175.26 175.37 3hb9 s VAL 325 N -2.90 1.81 -0.47 1.83 1.01 -1.26 -0.56 120.40 119.85 3hb9 s VAL 325 Ca 0.15 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 3hb9 s VAL 325 Cb -0.04 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3hb9 s VAL 325 CO 0.08 0.50 0.82 0.20 0.00 0.00 0.00 175.10 176.70 3hb9 s ASN 326 N 0.96 6.41 -0.23 3.32 0.01 0.74 -4.93 114.94 121.22 3hb9 s ASN 326 Ca -0.05 -0.14 -0.00 0.00 -0.71 0.00 0.00 52.86 51.95 3hb9 s ASN 326 Cb -0.15 -2.40 0.18 0.00 0.41 0.00 0.00 41.25 39.29 3hb9 s ASN 326 CO -0.03 -0.98 1.88 -0.81 -1.51 0.00 0.00 177.10 175.65 3hb9 n PRO 327 N 6.88 1.59 -3.84 -0.60 -0.04 -1.26 -0.89 135.00 136.84 3hb9 n PRO 327 Ca 0.02 -1.19 -0.06 0.00 -0.04 0.00 0.00 63.50 62.23 3hb9 n PRO 327 Cb 0.48 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3hb9 n PRO 327 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3hb9 s ARG 328 N -1.38 1.80 0.63 0.54 1.04 -1.15 -4.46 118.95 115.98 3hb9 s ARG 328 Ca 0.23 -1.15 -0.16 0.00 -1.04 0.00 0.00 55.73 53.61 3hb9 s ARG 328 Cb 0.19 0.51 -0.01 0.00 -2.04 0.00 0.00 34.95 33.59 3hb9 s ARG 328 CO 0.00 -0.84 1.12 0.14 -0.04 0.00 0.00 175.30 175.69 3hb9 s VAL 329 N -2.33 3.15 0.36 4.99 -7.23 -1.26 -4.37 120.40 113.71 3hb9 s VAL 329 Ca 0.18 0.58 0.08 0.00 -1.81 0.00 0.00 61.98 61.01 3hb9 s VAL 329 Cb -0.04 -3.12 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 3hb9 s VAL 329 CO 0.08 -0.28 0.09 -1.10 -0.31 0.00 0.00 175.10 173.58 3hb9 s GLN 330 N -3.87 2.20 0.23 4.82 -0.21 -1.26 -4.55 119.66 117.01 3hb9 s GLN 330 Ca 0.69 -1.73 -0.08 0.00 0.02 0.00 0.00 55.36 54.26 3hb9 s GLN 330 Cb -0.22 -2.00 0.24 0.00 1.00 0.00 0.00 33.01 32.02 3hb9 s GLN 330 CO 0.38 0.05 1.87 0.28 -2.12 0.00 0.00 175.29 175.76 3hb9 h VAL 331 N 1.63 1.13 0.00 1.09 2.07 -1.98 -2.78 116.25 117.41 3hb9 h VAL 331 Ca -0.43 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3hb9 h VAL 331 Cb 1.25 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3hb9 h VAL 331 CO 0.67 0.19 0.00 -1.84 0.02 0.00 0.00 177.57 176.61 3hb9 n GLU 332 N -4.58 0.97 -0.32 1.57 0.00 -1.26 -4.10 120.64 112.92 3hb9 n GLU 332 Ca 0.10 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.51 3hb9 n GLU 332 Cb 0.08 -1.35 0.57 0.00 0.00 0.00 0.00 31.44 30.74 3hb9 n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3hb9 h HIS 333 N 0.00 0.49 -1.01 -1.84 2.07 -1.90 -1.77 115.15 111.19 3hb9 h HIS 333 Ca 0.00 0.02 0.15 0.00 -2.85 0.00 0.00 60.37 57.69 3hb9 h HIS 333 Cb 0.00 -0.14 -0.10 0.00 2.57 0.00 0.00 27.41 29.74 3hb9 h HIS 333 CO 0.00 0.04 0.62 1.15 -3.07 0.00 0.00 177.93 176.67 3hb9 h THR 334 N 0.29 0.82 -0.82 6.12 2.02 -1.84 -2.48 112.91 117.01 3hb9 h THR 334 Ca 0.58 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 3hb9 h THR 334 Cb 1.69 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3hb9 h THR 334 CO -0.23 0.16 0.45 -0.29 0.37 0.00 0.00 175.52 175.98 3hb9 h ILE 335 N 0.88 1.24 -0.01 3.11 2.10 -1.66 -2.26 117.51 120.92 3hb9 h ILE 335 Ca 0.54 -0.60 -0.17 0.00 1.08 0.00 0.00 64.86 65.70 3hb9 h ILE 335 Cb 0.69 0.13 -0.02 0.00 -1.09 0.00 0.00 36.82 36.54 3hb9 h ILE 335 CO -0.32 0.27 -0.79 0.74 -1.08 0.00 0.00 178.15 176.97 3hb9 h THR 336 N 1.15 1.51 -0.70 2.19 2.02 -1.60 -3.22 112.91 114.26 3hb9 h THR 336 Ca 0.29 -2.55 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 3hb9 h THR 336 Cb 0.03 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3hb9 h THR 336 CO -0.05 0.74 0.36 -0.33 0.37 0.00 0.00 175.52 176.61 3hb9 h GLU 337 N 0.05 0.98 0.00 6.66 5.08 -1.16 -2.54 114.58 123.65 3hb9 h GLU 337 Ca -0.02 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 3hb9 h GLU 337 Cb 1.38 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3hb9 h GLU 337 CO 0.11 0.74 -0.63 0.52 -1.00 0.00 0.00 179.01 178.75 3hb9 h MET 338 N 0.99 0.00 0.01 2.33 2.86 -1.51 0.02 114.93 119.62 3hb9 h MET 338 Ca 0.25 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.59 3hb9 h MET 338 Cb 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3hb9 h MET 338 CO -0.04 0.63 -1.75 1.33 1.06 0.00 0.00 176.91 178.15 3hb9 n VAL 339 N -3.67 1.62 -0.00 -2.22 0.24 -1.17 -4.29 118.33 108.84 3hb9 n VAL 339 Ca -0.01 -0.79 -0.15 0.00 -2.04 0.00 0.00 64.34 61.36 3hb9 n VAL 339 Cb 0.65 -1.08 -0.14 0.00 -1.47 0.00 0.00 33.84 31.81 3hb9 n VAL 339 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3hb9 h THR 340 N 0.01 0.77 0.00 3.34 1.35 -1.53 -0.33 112.91 116.52 3hb9 h THR 340 Ca -0.30 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.00 3hb9 h THR 340 Cb 2.02 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.92 3hb9 h THR 340 CO 0.08 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3hb9 n GLY 341 N 1.75 0.74 3.54 5.82 0.00 -0.01 -4.89 105.19 112.13 3hb9 n GLY 341 Ca -0.23 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3hb9 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb9 s ILE 342 N -2.00 4.28 -0.58 -0.61 1.09 -1.18 -5.03 121.20 117.17 3hb9 s ILE 342 Ca 0.00 -0.21 -0.28 0.00 -1.10 0.00 0.00 60.65 59.06 3hb9 s ILE 342 Cb 0.00 -2.92 0.02 0.00 -1.06 0.00 0.00 42.46 38.51 3hb9 s ILE 342 CO 0.00 0.46 1.30 -0.62 -0.10 0.00 0.00 174.94 175.97 3hb9 s ASP 343 N 0.59 6.29 0.03 3.58 3.68 -1.26 -4.40 116.67 125.17 3hb9 s ASP 343 Ca 0.00 0.16 -0.25 0.00 2.13 0.00 0.00 52.55 54.59 3hb9 s ASP 343 Cb -0.14 -2.55 -0.18 0.00 -1.45 0.00 0.00 42.92 38.61 3hb9 s ASP 343 CO 0.02 -1.60 1.44 0.40 0.13 0.00 0.00 175.17 175.55 3hb9 h ILE 344 N 6.25 1.05 -0.57 4.11 1.08 -1.96 -1.52 117.51 125.95 3hb9 h ILE 344 Ca -0.26 -0.58 0.09 0.00 -0.39 0.00 0.00 64.86 63.71 3hb9 h ILE 344 Cb 1.07 1.43 -0.07 0.00 -3.07 0.00 0.00 36.82 36.18 3hb9 h ILE 344 CO 1.19 0.14 0.20 0.58 -0.69 0.00 0.00 178.15 179.57 3hb9 h VAL 345 N -0.40 0.78 -0.41 1.67 2.07 -1.97 0.81 116.25 118.81 3hb9 h VAL 345 Ca -0.01 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 3hb9 h VAL 345 Cb 0.33 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3hb9 h VAL 345 CO 0.02 0.07 -0.30 0.50 0.02 0.00 0.00 177.57 177.88 3hb9 h LYS 346 N 0.38 0.90 -0.24 1.57 3.64 -1.91 -2.27 116.57 118.65 3hb9 h LYS 346 Ca 0.28 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3hb9 h LYS 346 Cb 0.34 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3hb9 h LYS 346 CO -0.29 1.08 0.12 1.15 -2.27 0.00 0.00 179.45 179.24 3hb9 h THR 347 N 0.76 1.13 -0.78 1.00 2.02 -0.40 -2.58 112.91 114.06 3hb9 h THR 347 Ca 0.08 -0.37 0.15 0.00 0.77 0.00 0.00 66.41 67.05 3hb9 h THR 347 Cb 0.87 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 68.12 3hb9 h THR 347 CO 0.08 0.13 0.32 -0.61 0.37 0.00 0.00 175.52 175.80 3hb9 h GLN 348 N 0.26 0.43 -0.32 6.66 4.15 0.78 -0.48 115.11 126.59 3hb9 h GLN 348 Ca 0.08 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 3hb9 h GLN 348 Cb 0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3hb9 h GLN 348 CO -0.01 0.28 -0.43 0.82 -1.93 0.00 0.00 178.83 177.57 3hb9 h ILE 349 N 0.44 1.28 0.00 2.39 2.04 -1.32 -3.08 117.51 119.27 3hb9 h ILE 349 Ca 0.44 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 3hb9 h ILE 349 Cb 0.69 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3hb9 h ILE 349 CO -0.43 0.53 -0.05 -0.07 0.00 0.00 0.00 178.15 178.13 3hb9 h LEU 350 N 0.65 0.00 -0.39 1.44 3.38 -0.82 -2.47 115.31 117.10 3hb9 h LEU 350 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3hb9 h LEU 350 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3hb9 h LEU 350 CO 0.10 0.05 -0.76 0.58 0.09 0.00 0.00 178.44 178.50 3hb9 h VAL 351 N 0.00 1.40 0.00 1.22 2.07 -1.05 -2.20 116.25 117.69 3hb9 h VAL 351 Ca -0.00 -2.22 -0.07 0.00 0.82 0.00 0.00 66.70 65.23 3hb9 h VAL 351 Cb 0.59 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3hb9 h VAL 351 CO 0.01 0.66 -0.33 0.00 0.02 0.00 0.00 177.57 177.92 3hb9 h ALA 352 N 0.95 1.06 0.00 1.67 0.00 -1.41 -2.77 119.26 118.76 3hb9 h ALA 352 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hb9 h ALA 352 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hb9 h ALA 352 CO 0.13 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3hb9 n ALA 353 N -2.30 2.51 -0.76 0.00 0.00 -1.03 -4.90 120.51 114.03 3hb9 n ALA 353 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3hb9 n ALA 353 Cb 0.46 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3hb9 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 354 N 1.11 0.59 3.86 0.00 0.00 -1.04 -4.35 105.19 105.34 3hb9 n GLY 354 Ca 0.17 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3hb9 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb9 s ALA 355 N -2.00 3.15 -0.06 4.61 0.00 -0.83 -4.98 121.76 121.64 3hb9 s ALA 355 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 3hb9 s ALA 355 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 3hb9 s ALA 355 CO 0.00 -0.24 0.39 0.34 0.00 0.00 0.00 175.76 176.25 3hb9 s ASP 356 N -3.25 6.70 0.31 0.00 -1.08 -1.26 -4.60 116.67 113.48 3hb9 s ASP 356 Ca 0.56 0.83 0.11 0.00 -0.52 0.00 0.00 52.55 53.53 3hb9 s ASP 356 Cb -0.10 -2.24 0.49 0.00 -1.46 0.00 0.00 42.92 39.61 3hb9 s ASP 356 CO 0.34 0.22 1.69 0.17 0.52 0.00 0.00 175.17 178.11 3hb9 h LEU 357 N 5.50 0.01 -2.72 -1.34 8.10 -1.95 -1.74 115.31 121.17 3hb9 h LEU 357 Ca -0.48 -0.01 -0.18 0.00 0.11 0.00 0.00 57.88 57.33 3hb9 h LEU 357 Cb 1.20 -0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 41.31 3hb9 h LEU 357 CO 0.67 0.53 0.23 0.49 -4.11 0.00 0.00 178.44 176.25 3hb9 n PHE 357 N -3.92 1.29 -3.38 0.17 0.99 -1.26 -0.44 117.46 110.91 3hb9 n PHE 357 Ca -0.01 -0.92 0.00 0.00 -0.00 0.00 0.00 57.45 56.52 3hb9 n PHE 357 Cb 0.53 -0.50 0.00 0.00 -1.00 0.00 0.00 39.48 38.52 3hb9 n PHE 357 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hb9 n GLY 357 N -0.12 6.15 0.26 1.37 0.00 -0.66 -4.96 105.19 107.24 3hb9 n GLY 357 Ca 0.24 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3hb9 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hb9 h GLU 358 N 0.00 0.89 -0.06 1.61 4.39 -1.92 -2.93 114.58 116.57 3hb9 h GLU 358 Ca 0.00 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.20 3hb9 h GLU 358 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hb9 h GLU 358 CO 0.00 1.07 -0.27 0.93 -1.16 0.00 0.00 179.01 179.58 3hb9 h GLU 359 N 0.71 0.28 0.06 2.33 3.07 -1.95 -3.38 114.58 115.71 3hb9 h GLU 359 Ca 0.08 -0.23 -0.34 0.00 -0.50 0.00 0.00 59.36 58.38 3hb9 h GLU 359 Cb 0.85 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 3hb9 h GLU 359 CO 0.07 0.88 -1.87 -0.89 -1.40 0.00 0.00 179.01 175.80 3hb9 n ILE 360 N -4.48 1.65 -3.55 3.13 5.41 -1.26 -5.02 119.36 115.25 3hb9 n ILE 360 Ca -0.08 -0.43 -0.21 0.00 1.00 0.00 0.00 62.75 63.03 3hb9 n ILE 360 Cb 0.48 -1.81 0.05 0.00 -0.71 0.00 0.00 39.64 37.65 3hb9 n ILE 360 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hb9 n ASN 361 N -3.82 -3.27 -4.73 4.38 5.03 -1.11 -5.00 115.26 106.74 3hb9 n ASN 361 Ca -0.36 -0.79 -0.37 0.00 0.87 0.00 0.00 54.58 53.93 3hb9 n ASN 361 Cb 0.91 -4.39 -0.07 0.00 -1.02 0.00 0.00 39.78 35.22 3hb9 n ASN 361 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hb9 s MET 362 N -5.51 4.26 0.62 3.52 1.75 0.42 -5.05 119.30 119.31 3hb9 s MET 362 Ca 0.19 0.26 -0.19 0.00 -1.25 0.00 0.00 55.69 54.70 3hb9 s MET 362 Cb -0.04 -3.41 -0.02 0.00 2.84 0.00 0.00 34.83 34.19 3hb9 s MET 362 CO 0.79 0.24 1.27 -1.25 -0.65 0.00 0.00 175.02 175.42 3hb9 s PRO 362 N 0.41 2.76 0.67 4.11 0.04 -1.26 -4.48 135.00 137.24 3hb9 s PRO 362 Ca 0.21 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 3hb9 s PRO 362 Cb -0.14 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3hb9 s PRO 362 CO 0.07 -1.42 1.26 -1.14 0.04 0.00 0.00 177.00 175.81 3hb9 s GLN 363 N -3.31 2.45 0.00 4.56 2.00 -1.26 -4.77 119.66 119.33 3hb9 s GLN 363 Ca 0.80 1.95 0.00 0.00 -2.00 0.00 0.00 55.36 56.11 3hb9 s GLN 363 Cb -0.35 -1.85 0.00 0.00 0.80 0.00 0.00 33.01 31.61 3hb9 s GLN 363 CO 0.38 -1.64 0.00 0.94 -0.50 0.00 0.00 175.29 174.47 3hb9 n GLN 364 N -2.13 0.00 -0.03 1.67 -0.06 -1.26 -0.10 117.38 115.47 3hb9 n GLN 364 Ca 0.15 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.26 3hb9 n GLN 364 Cb 0.49 0.00 0.52 0.00 -4.06 0.00 0.00 30.24 27.19 3hb9 n GLN 364 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 3hb9 n LYS 365 N -1.06 1.36 0.14 3.69 0.00 -1.26 -3.22 118.16 117.80 3hb9 n LYS 365 Ca 0.00 -0.54 0.12 0.00 -0.00 0.00 0.00 58.31 57.89 3hb9 n LYS 365 Cb 0.00 -1.37 0.17 0.00 -0.00 0.00 0.00 35.03 33.83 3hb9 n LYS 365 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3hb9 h ASP 366 N 1.13 0.00 -3.36 -5.58 3.32 -0.83 -3.45 116.42 107.65 3hb9 h ASP 366 Ca 0.00 -0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.43 3hb9 h ASP 366 Cb 0.25 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 3hb9 h ASP 366 CO 0.00 0.02 0.14 -0.63 -1.72 0.00 0.00 179.24 177.05 3hb9 s ILE 367 N -3.22 5.02 0.38 0.35 1.01 -1.20 -4.98 121.20 118.56 3hb9 s ILE 367 Ca 0.06 1.39 0.04 0.00 0.00 0.00 0.00 60.65 62.13 3hb9 s ILE 367 Cb 0.09 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3hb9 s ILE 367 CO 0.70 0.18 0.15 0.35 0.00 0.00 0.00 174.94 176.32 3hb9 n THR 368 N 4.20 0.00 -3.77 2.92 -2.24 -1.26 -5.06 114.28 109.06 3hb9 n THR 368 Ca -0.00 -2.25 -0.37 0.00 -2.27 0.00 0.00 64.05 59.16 3hb9 n THR 368 Cb 0.50 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 3hb9 n THR 368 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hb9 s THR 369 N -3.03 3.80 -0.82 4.28 -4.23 -1.26 -4.35 115.64 110.03 3hb9 s THR 369 Ca 0.22 -0.90 -0.26 0.00 -1.18 0.00 0.00 61.69 59.57 3hb9 s THR 369 Cb 0.01 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.85 3hb9 s THR 369 CO 0.15 -0.01 1.36 -0.22 -0.54 0.00 0.00 174.62 175.36 3hb9 s LEU 370 N 1.45 3.26 0.00 4.79 2.96 -0.13 -4.87 118.68 126.13 3hb9 s LEU 370 Ca 0.01 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 3hb9 s LEU 370 Cb -0.18 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3hb9 s LEU 370 CO 0.02 -1.78 0.00 0.61 -1.32 0.00 0.00 176.35 173.88 3hb9 n GLY 371 N 5.83 0.15 3.16 7.98 0.00 -1.26 -4.67 105.19 116.38 3hb9 n GLY 371 Ca 0.13 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 3hb9 n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hb9 s TYR 372 N 0.00 0.88 0.02 1.61 1.51 -0.24 -4.51 117.35 116.62 3hb9 s TYR 372 Ca 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 57.07 55.18 3hb9 s TYR 372 Cb 0.00 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.32 3hb9 s TYR 372 CO 0.00 -0.13 -0.00 0.00 -1.11 0.00 0.00 175.55 174.30 3hb9 s ALA 373 N -3.36 0.09 -0.01 3.71 0.00 0.15 -2.20 121.76 120.14 3hb9 s ALA 373 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3hb9 s ALA 373 Cb 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 3hb9 s ALA 373 CO -0.04 -0.19 -0.08 0.42 0.00 0.00 0.00 175.76 175.87 3hb9 s ILE 374 N -1.72 0.65 0.05 0.00 1.01 -0.77 -0.97 121.20 119.44 3hb9 s ILE 374 Ca -0.13 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3hb9 s ILE 374 Cb -0.08 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 3hb9 s ILE 374 CO -0.02 0.19 -0.14 -1.58 0.00 0.00 0.00 174.94 173.39 3hb9 s GLN 375 N -0.13 0.91 0.09 2.79 0.74 -0.72 -1.06 119.66 122.29 3hb9 s GLN 375 Ca 0.02 -0.82 -0.13 0.00 0.05 0.00 0.00 55.36 54.49 3hb9 s GLN 375 Cb -0.04 -0.93 0.02 0.00 1.10 0.00 0.00 33.01 33.16 3hb9 s GLN 375 CO -0.00 0.22 0.30 0.00 -0.55 0.00 0.00 175.29 175.26 3hb9 s ARG 377 N -3.56 3.29 -0.44 0.00 3.00 -1.26 -1.79 118.95 118.19 3hb9 s ARG 377 Ca 0.02 -0.54 -0.22 0.00 0.00 0.00 0.00 55.73 54.99 3hb9 s ARG 377 Cb 0.02 -2.77 0.02 0.00 0.00 0.00 0.00 34.95 32.23 3hb9 s ARG 377 CO -0.10 0.41 0.74 0.42 0.00 0.00 0.00 175.30 176.77 3hb9 s ILE 378 N -0.11 4.71 0.45 1.52 1.01 0.51 -5.00 121.20 124.30 3hb9 s ILE 378 Ca 0.02 0.36 0.01 0.00 0.00 0.00 0.00 60.65 61.03 3hb9 s ILE 378 Cb -0.13 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.07 3hb9 s ILE 378 CO 0.03 -0.66 0.07 0.35 0.00 0.00 0.00 174.94 174.73 3hb9 n THR 379 N 6.02 0.00 -0.07 2.92 -2.24 -1.26 -0.72 114.28 118.94 3hb9 n THR 379 Ca 0.01 -2.05 0.10 0.00 -2.27 0.00 0.00 64.05 59.84 3hb9 n THR 379 Cb 0.48 0.32 0.24 0.00 -2.10 0.00 0.00 70.33 69.27 3hb9 n THR 379 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hb9 n THR 380 N -1.21 0.78 -1.94 4.28 -2.24 -1.26 -1.87 114.28 110.82 3hb9 n THR 380 Ca -0.15 -0.89 -0.42 0.00 -2.27 0.00 0.00 64.05 60.32 3hb9 n THR 380 Cb 0.56 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 3hb9 n THR 380 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hb9 s GLU 381 N -1.15 3.20 -0.24 -0.78 2.02 -1.26 -1.28 118.70 119.20 3hb9 s GLU 381 Ca 0.38 1.42 -0.29 0.00 0.02 0.00 0.00 54.97 56.50 3hb9 s GLU 381 Cb 0.21 -4.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.17 3hb9 s GLU 381 CO 0.28 -2.02 1.54 0.34 0.02 0.00 0.00 175.26 175.42 3hb9 s ASP 382 N 6.76 6.45 0.31 -0.19 2.15 -1.17 -4.17 116.67 126.80 3hb9 s ASP 382 Ca 0.82 1.51 0.10 0.00 0.43 0.00 0.00 52.55 55.41 3hb9 s ASP 382 Cb -0.22 -2.53 0.50 0.00 -0.30 0.00 0.00 42.92 40.36 3hb9 s ASP 382 CO 0.32 -1.22 1.70 -0.65 -0.17 0.00 0.00 175.17 175.16 3hb9 h PRO 383 N 10.37 0.06 -0.03 4.34 0.11 -1.92 -1.23 132.00 143.71 3hb9 h PRO 383 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hb9 h PRO 383 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hb9 h PRO 383 CO 1.01 0.54 0.00 1.47 -0.21 0.00 0.00 178.00 180.81 3hb9 n LEU 384 N -3.95 0.26 -2.96 2.35 -0.00 -1.26 -4.23 117.00 107.21 3hb9 n LEU 384 Ca -0.02 -0.11 -0.15 0.00 -0.00 0.00 0.00 56.01 55.74 3hb9 n LEU 384 Cb 0.52 -0.02 0.01 0.00 -0.00 0.00 0.00 43.42 43.93 3hb9 n LEU 384 CO 0.41 0.06 0.01 -3.20 -0.00 0.00 0.00 177.39 174.66 3hb9 n ASN 385 N -0.55 -1.17 -1.56 1.45 5.15 -0.92 -5.01 115.26 112.65 3hb9 n ASN 385 Ca 0.11 -3.17 -0.15 0.00 -0.60 0.00 0.00 54.58 50.77 3hb9 n ASN 385 Cb 0.09 0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 39.96 3hb9 n ASN 385 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hb9 n ASP 386 N 1.00 -4.00 -3.45 1.20 10.43 -1.24 -3.09 116.55 117.40 3hb9 n ASP 386 Ca 0.15 0.34 -0.19 0.00 2.57 0.00 0.00 54.79 57.66 3hb9 n ASP 386 Cb 0.63 -3.63 0.09 0.00 1.84 0.00 0.00 41.12 40.04 3hb9 n ASP 386 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hb9 n PHE 387 N -2.20 -2.38 -3.69 1.24 3.01 -0.51 -5.01 117.46 107.93 3hb9 n PHE 387 Ca -0.15 0.95 -0.37 0.00 1.01 0.00 0.00 57.45 58.89 3hb9 n PHE 387 Cb 0.51 -5.04 -0.12 0.00 -0.01 0.00 0.00 39.48 34.82 3hb9 n PHE 387 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3hb9 s MET 388 N -5.64 3.81 -0.30 -1.08 -1.94 -1.18 -4.69 119.30 108.27 3hb9 s MET 388 Ca 0.18 -0.40 -0.29 0.00 -1.71 0.00 0.00 55.69 53.47 3hb9 s MET 388 Cb -0.08 -3.48 -0.07 0.00 2.01 0.00 0.00 34.83 33.21 3hb9 s MET 388 CO 0.72 -0.16 2.26 -2.30 -0.01 0.00 0.00 175.02 175.53 3hb9 n PRO 389 N 4.92 1.58 -2.39 2.03 -0.02 -1.26 -3.03 135.00 136.83 3hb9 n PRO 389 Ca -0.15 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 3hb9 n PRO 389 Cb 0.52 -3.07 -0.02 0.00 -0.02 0.00 0.00 33.50 30.90 3hb9 n PRO 389 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hb9 s ASP 390 N 8.75 6.93 0.26 2.55 3.68 -0.41 -4.91 116.67 133.52 3hb9 s ASP 390 Ca 1.03 1.75 0.06 0.00 2.13 0.00 0.00 52.55 57.53 3hb9 s ASP 390 Cb -0.44 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 38.46 3hb9 s ASP 390 CO 0.37 -0.76 0.31 0.42 0.13 0.00 0.00 175.17 175.64 3hb9 s THR 391 N 3.41 4.79 -3.92 1.71 -4.23 -1.26 -4.83 115.64 111.30 3hb9 s THR 391 Ca 0.56 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3hb9 s THR 391 Cb -0.23 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 69.98 3hb9 s THR 391 CO 0.17 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3hb9 n GLY 392 N -1.35 0.02 3.09 3.99 0.00 -1.12 -5.01 105.19 104.82 3hb9 n GLY 392 Ca -0.07 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3hb9 n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hb9 s THR 393 N -4.00 1.97 0.00 2.61 2.01 -1.26 -0.66 115.64 116.31 3hb9 s THR 393 Ca 0.00 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 3hb9 s THR 393 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3hb9 s THR 393 CO 0.00 0.45 1.20 -0.63 -0.69 0.00 0.00 174.62 174.95 3hb9 s ILE 394 N 1.31 4.16 -0.16 1.82 1.01 -0.89 -4.62 121.20 123.83 3hb9 s ILE 394 Ca 0.03 1.53 -0.00 0.00 0.00 0.00 0.00 60.65 62.21 3hb9 s ILE 394 Cb -0.14 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 3hb9 s ILE 394 CO -0.12 0.06 0.18 2.30 0.00 0.00 0.00 174.94 177.36 3hb9 n ILE 395 N 4.28 1.64 -4.55 2.92 -5.35 -1.01 -2.56 119.36 114.73 3hb9 n ILE 395 Ca 0.10 -0.66 -0.22 0.00 -0.27 0.00 0.00 62.75 61.70 3hb9 n ILE 395 Cb 0.46 -1.47 -0.15 0.00 -1.74 0.00 0.00 39.64 36.74 3hb9 n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hb9 s ALA 396 N -2.55 1.07 -0.11 -1.28 0.00 -1.24 -4.59 121.76 113.06 3hb9 s ALA 396 Ca -0.24 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3hb9 s ALA 396 Cb 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3hb9 s ALA 396 CO 0.72 0.21 0.26 -0.47 0.00 0.00 0.00 175.76 176.48 3hb9 s TYR 397 N -0.01 -0.37 -0.10 0.00 6.14 -1.25 -1.99 117.35 119.76 3hb9 s TYR 397 Ca -0.00 0.86 -0.03 0.00 0.64 0.00 0.00 57.07 58.54 3hb9 s TYR 397 Cb -0.08 0.04 0.04 0.00 0.42 0.00 0.00 41.96 42.38 3hb9 s TYR 397 CO 0.00 -0.27 0.04 0.50 0.64 0.00 0.00 175.55 176.47 3hb9 s ARG 398 N 1.54 0.31 0.43 4.97 3.52 -1.15 -4.81 118.95 123.76 3hb9 s ARG 398 Ca -0.07 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 55.56 3hb9 s ARG 398 Cb -0.11 -1.21 0.09 0.00 -1.56 0.00 0.00 34.95 32.16 3hb9 s ARG 398 CO -0.09 -0.44 0.59 -1.13 -0.81 0.00 0.00 175.30 173.42 3hb9 n SER 399 N 5.20 0.56 -3.66 -2.12 3.41 -1.26 -3.33 113.62 112.42 3hb9 n SER 399 Ca -0.06 -1.53 -0.10 0.00 -0.26 0.00 0.00 58.87 56.92 3hb9 n SER 399 Cb 0.49 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 3hb9 n SER 399 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hb9 s SER 400 N -3.33 -0.04 0.00 4.04 1.04 -1.26 -4.82 113.70 109.33 3hb9 s SER 400 Ca 0.37 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.65 3hb9 s SER 400 Cb -0.02 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.21 3hb9 s SER 400 CO 0.25 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3hb9 n GLY 401 N 5.35 0.87 0.00 7.32 0.00 -1.26 -4.89 105.19 112.57 3hb9 n GLY 401 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hb9 n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 402 N 5.00 -0.40 3.68 -0.02 0.00 -1.26 -4.66 105.19 107.53 3hb9 n GLY 402 Ca 0.00 -1.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 3hb9 n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hb9 n PHE 403 N 0.26 2.23 -0.33 1.61 -0.00 -1.26 -2.21 117.46 117.76 3hb9 n PHE 403 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 3hb9 n PHE 403 Cb 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 39.48 37.01 3hb9 n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hb9 n GLY 404 N 2.10 1.74 3.26 7.13 0.00 -1.26 -4.94 105.19 113.23 3hb9 n GLY 404 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3hb9 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb9 s VAL 405 N -3.11 3.87 -0.23 1.61 1.01 -0.94 -0.16 120.40 122.45 3hb9 s VAL 405 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.61 3hb9 s VAL 405 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3hb9 s VAL 405 CO 0.00 -0.29 0.19 -0.60 0.00 0.00 0.00 175.10 174.40 3hb9 s ARG 406 N 1.39 4.08 -0.05 2.72 3.52 0.43 -4.65 118.95 126.39 3hb9 s ARG 406 Ca 0.00 -0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.36 3hb9 s ARG 406 Cb -0.21 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3hb9 s ARG 406 CO 0.02 0.04 0.15 -0.51 -0.81 0.00 0.00 175.30 174.19 3hb9 s LEU 407 N 1.10 4.28 -0.33 -0.88 1.43 -1.26 -2.01 118.68 121.01 3hb9 s LEU 407 Ca 0.09 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3hb9 s LEU 407 Cb -0.14 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 43.85 3hb9 s LEU 407 CO 0.05 0.32 0.19 -1.81 0.23 0.00 0.00 176.35 175.33 3hb9 s ASP 408 N -1.57 3.06 0.08 2.29 1.01 -0.72 -5.00 116.67 115.83 3hb9 s ASP 408 Ca 0.22 -1.75 -0.30 0.00 0.71 0.00 0.00 52.55 51.43 3hb9 s ASP 408 Cb -0.12 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.46 3hb9 s ASP 408 CO 0.12 -0.36 1.00 0.00 0.21 0.00 0.00 175.17 176.14 3hb9 s ALA 409 N 1.55 3.24 0.00 5.23 0.00 -1.26 0.41 121.76 130.92 3hb9 s ALA 409 Ca 0.14 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3hb9 s ALA 409 Cb -0.20 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3hb9 s ALA 409 CO -0.15 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3hb9 n GLY 410 N 2.47 -0.09 0.10 0.00 0.00 0.70 -4.09 105.19 104.28 3hb9 n GLY 410 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3hb9 n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hb9 n ASP 411 N -0.50 0.84 -4.56 1.61 10.43 -0.71 -4.55 116.55 119.11 3hb9 n ASP 411 Ca 0.00 -0.92 -0.40 0.00 2.57 0.00 0.00 54.79 56.04 3hb9 n ASP 411 Cb 0.00 0.80 -0.03 0.00 1.84 0.00 0.00 41.12 43.73 3hb9 n ASP 411 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3hb9 s GLY 412 N -1.87 0.62 0.20 0.44 0.00 -1.08 -4.77 107.32 100.85 3hb9 s GLY 412 Ca 0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 3hb9 s GLY 412 CO 0.40 3.02 0.21 -0.11 0.00 0.00 0.00 173.10 176.63 3hb9 s PHE 413 N 7.17 0.86 -1.32 1.90 -0.12 -1.26 -4.97 117.98 120.24 3hb9 s PHE 413 Ca 0.55 -1.15 -0.09 0.00 -0.05 0.00 0.00 56.93 56.19 3hb9 s PHE 413 Cb -0.11 -0.33 -0.07 0.00 -0.63 0.00 0.00 43.02 41.87 3hb9 s PHE 413 CO 0.21 -0.71 2.58 0.94 -0.05 0.00 0.00 175.22 178.19 3hb9 n GLN 414 N -0.26 2.98 0.00 1.99 7.27 -1.26 -2.24 117.38 125.86 3hb9 n GLN 414 Ca -0.01 -1.92 0.00 0.00 0.07 0.00 0.00 57.00 55.14 3hb9 n GLN 414 Cb 0.64 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.61 3hb9 n GLN 414 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hb9 n GLY 415 N 3.70 0.00 3.75 1.69 0.00 -1.06 -4.90 105.19 108.36 3hb9 n GLY 415 Ca 0.64 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 3hb9 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb9 s ALA 416 N 0.00 3.32 -0.37 4.61 0.00 -0.95 -4.83 121.76 123.55 3hb9 s ALA 416 Ca 0.00 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 3hb9 s ALA 416 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3hb9 s ALA 416 CO 0.00 0.15 0.50 -1.21 0.00 0.00 0.00 175.76 175.20 3hb9 s GLU 417 N -0.84 3.52 -0.26 0.00 0.41 -1.26 -2.11 118.70 118.16 3hb9 s GLU 417 Ca 0.42 -0.28 -0.10 0.00 -0.41 0.00 0.00 54.97 54.60 3hb9 s GLU 417 Cb -0.25 -3.84 -0.05 0.00 -1.78 0.00 0.00 34.13 28.21 3hb9 s GLU 417 CO 0.31 -0.69 0.17 0.42 -0.49 0.00 0.00 175.26 174.98 3hb9 s ILE 418 N 2.36 5.24 0.02 -1.63 -1.09 0.17 -5.01 121.20 121.26 3hb9 s ILE 418 Ca 0.17 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 3hb9 s ILE 418 Cb -0.16 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 3hb9 s ILE 418 CO 0.14 0.30 -0.01 -0.94 -1.23 0.00 0.00 174.94 173.19 3hb9 s SER 419 N 1.45 5.01 0.00 3.58 1.04 -1.26 -2.78 113.70 120.75 3hb9 s SER 419 Ca 0.07 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.46 3hb9 s SER 419 Cb -0.15 -1.26 0.22 0.00 0.10 0.00 0.00 66.02 64.93 3hb9 s SER 419 CO 0.08 0.25 1.10 -0.81 0.98 0.00 0.00 173.24 174.84 3hb9 n PRO 420 N 1.20 0.95 0.07 4.02 -0.04 -1.26 -4.01 135.00 135.94 3hb9 n PRO 420 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 3hb9 n PRO 420 Cb 0.52 -1.06 0.19 0.00 -0.04 0.00 0.00 33.50 33.11 3hb9 n PRO 420 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3hb9 h TYR 421 N 0.00 0.00 -2.68 0.54 0.05 -2.01 -3.47 116.97 109.40 3hb9 h TYR 421 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 3hb9 h TYR 421 Cb 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.60 3hb9 h TYR 421 CO 0.00 0.00 -0.66 0.71 -1.05 0.00 0.00 178.16 177.16 3hb9 s TYR 422 N -3.16 1.95 -0.41 4.88 1.51 -1.26 -4.18 117.35 116.68 3hb9 s TYR 422 Ca 0.06 -0.74 -0.27 0.00 -1.01 0.00 0.00 57.07 55.11 3hb9 s TYR 422 Cb 0.13 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 3hb9 s TYR 422 CO 0.71 0.23 2.19 -0.51 -1.11 0.00 0.00 175.55 177.06 3hb9 s ASP 423 N -3.45 5.06 0.10 2.29 1.01 -1.26 -4.91 116.67 115.51 3hb9 s ASP 423 Ca 0.30 1.24 -0.31 0.00 0.71 0.00 0.00 52.55 54.49 3hb9 s ASP 423 Cb 0.05 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 3hb9 s ASP 423 CO 0.12 -2.38 1.71 -0.55 0.21 0.00 0.00 175.17 174.29 3hb9 s SER 424 N 9.60 6.53 -0.21 0.27 0.15 -1.26 -4.99 113.70 123.79 3hb9 s SER 424 Ca 0.91 2.62 -0.04 0.00 0.70 0.00 0.00 55.95 60.14 3hb9 s SER 424 Cb -0.22 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.63 3hb9 s SER 424 CO 0.29 -0.93 0.29 -0.22 1.20 0.00 0.00 173.24 173.87 3hb9 s LEU 425 N 2.47 -0.35 -0.15 3.45 2.96 -1.26 -4.65 118.68 121.14 3hb9 s LEU 425 Ca 0.76 0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 54.65 3hb9 s LEU 425 Cb -0.43 0.73 -0.07 0.00 0.50 0.00 0.00 46.19 46.92 3hb9 s LEU 425 CO 0.34 -0.30 -0.03 -0.07 -1.32 0.00 0.00 176.35 174.97 3hb9 h LEU 426 N 8.26 0.00 -7.81 -0.68 3.38 -1.28 -1.88 115.31 115.30 3hb9 h LEU 426 Ca -0.18 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.40 3hb9 h LEU 426 Cb 1.15 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.63 3hb9 h LEU 426 CO 0.25 0.90 -0.72 -0.69 0.09 0.00 0.00 178.44 178.27 3hb9 s VAL 427 N -2.18 0.09 -0.46 1.22 1.01 -1.11 -0.21 120.40 118.75 3hb9 s VAL 427 Ca -0.16 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 3hb9 s VAL 427 Cb 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 36.38 36.37 3hb9 s VAL 427 CO 0.30 -0.07 0.36 -0.75 0.00 0.00 0.00 175.10 174.94 3hb9 s LYS 428 N -0.29 2.86 -0.17 2.72 2.20 0.16 -0.36 119.74 126.86 3hb9 s LYS 428 Ca -0.02 -1.42 -0.14 0.00 -0.36 0.00 0.00 55.97 54.03 3hb9 s LYS 428 Cb -0.02 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 3hb9 s LYS 428 CO -0.00 -1.03 0.29 -1.17 -0.36 0.00 0.00 175.35 173.08 3hb9 s LEU 429 N 1.57 4.22 -0.03 5.43 2.96 -0.74 -1.75 118.68 130.33 3hb9 s LEU 429 Ca 0.04 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3hb9 s LEU 429 Cb -0.24 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3hb9 s LEU 429 CO 0.05 0.07 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.69 3hb9 s SER 430 N 0.61 0.56 0.20 3.68 0.01 -0.85 -1.88 113.70 116.02 3hb9 s SER 430 Ca 0.16 -0.06 0.09 0.00 1.31 0.00 0.00 55.95 57.45 3hb9 s SER 430 Cb -0.13 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 3hb9 s SER 430 CO 0.04 -0.08 -0.06 0.42 0.41 0.00 0.00 173.24 173.97 3hb9 s THR 431 N 0.95 3.33 -0.17 1.44 -4.23 -0.22 -0.43 115.64 116.30 3hb9 s THR 431 Ca -0.11 -1.67 -0.08 0.00 -1.18 0.00 0.00 61.69 58.66 3hb9 s THR 431 Cb -0.14 -2.68 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3hb9 s THR 431 CO -0.01 -0.16 0.39 -2.28 -0.54 0.00 0.00 174.62 172.02 3hb9 s HIS 432 N -1.83 -0.62 0.29 3.99 5.04 0.78 -1.85 115.29 121.10 3hb9 s HIS 432 Ca 0.27 1.29 -0.08 0.00 -1.54 0.00 0.00 55.06 54.99 3hb9 s HIS 432 Cb -0.08 0.24 0.00 0.00 0.04 0.00 0.00 32.58 32.78 3hb9 s HIS 432 CO 0.17 -0.37 0.48 0.00 -2.34 0.00 0.00 174.74 172.68 3hb9 s ALA 433 N 1.74 0.22 0.33 1.58 0.00 -0.93 -4.51 121.76 120.18 3hb9 s ALA 433 Ca -0.07 -1.18 0.13 0.00 0.00 0.00 0.00 51.96 50.84 3hb9 s ALA 433 Cb -0.10 1.09 0.65 0.00 0.00 0.00 0.00 23.12 24.77 3hb9 s ALA 433 CO -0.12 -0.82 1.77 -0.84 0.00 0.00 0.00 175.76 175.75 3hb9 h ILE 434 N 2.20 1.25 -2.51 0.00 -0.00 -1.87 -0.63 117.51 115.95 3hb9 h ILE 434 Ca -0.28 -1.49 -0.62 0.00 -0.00 0.00 0.00 64.86 62.46 3hb9 h ILE 434 Cb 1.25 1.82 -0.15 0.00 -0.00 0.00 0.00 36.82 39.73 3hb9 h ILE 434 CO 0.38 0.42 -0.78 -0.94 -0.00 0.00 0.00 178.15 177.23 3hb9 s SER 435 N -6.84 3.55 0.15 2.16 1.04 -1.26 -4.17 113.70 108.33 3hb9 s SER 435 Ca -0.02 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.33 3hb9 s SER 435 Cb 0.14 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3hb9 s SER 435 CO 0.73 0.06 1.51 0.15 0.98 0.00 0.00 173.24 176.67 3hb9 h PHE 436 N 2.55 1.11 -0.30 5.02 3.57 -1.90 -2.57 116.94 124.43 3hb9 h PHE 436 Ca -0.42 -0.31 0.06 0.00 3.53 0.00 0.00 57.97 60.83 3hb9 h PHE 436 Cb 1.24 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 3hb9 h PHE 436 CO 0.77 1.13 -0.09 -0.22 -2.23 0.00 0.00 178.31 177.68 3hb9 h LYS 437 N 0.79 -0.02 -0.41 1.11 3.11 -1.97 -2.02 116.57 117.17 3hb9 h LYS 437 Ca 0.08 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.78 3hb9 h LYS 437 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 3hb9 h LYS 437 CO 0.08 -0.01 -0.28 1.96 -2.81 0.00 0.00 179.45 178.39 3hb9 h GLN 438 N -0.02 0.88 -0.54 1.90 4.20 -1.96 -2.32 115.11 117.25 3hb9 h GLN 438 Ca 0.15 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 3hb9 h GLN 438 Cb 0.24 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3hb9 h GLN 438 CO -0.32 1.05 0.22 0.00 -0.67 0.00 0.00 178.83 179.11 3hb9 h ALA 439 N 0.92 1.37 -0.25 3.87 0.00 -1.27 -1.27 119.26 122.64 3hb9 h ALA 439 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3hb9 h ALA 439 Cb 0.84 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hb9 h ALA 439 CO 0.07 0.48 -0.58 1.49 0.00 0.00 0.00 179.25 180.70 3hb9 h GLU 440 N 0.77 0.82 -0.14 0.00 4.22 -1.23 -2.58 114.58 116.43 3hb9 h GLU 440 Ca 0.19 -0.54 -0.09 0.00 0.08 0.00 0.00 59.36 58.99 3hb9 h GLU 440 Cb 0.15 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hb9 h GLU 440 CO -0.02 1.17 -0.32 0.93 -2.18 0.00 0.00 179.01 178.60 3hb9 h GLU 441 N 0.62 0.28 -0.28 1.92 5.08 -1.08 -1.95 114.58 119.17 3hb9 h GLU 441 Ca 0.00 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3hb9 h GLU 441 Cb 1.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3hb9 h GLU 441 CO 0.13 0.57 -0.40 0.87 -1.00 0.00 0.00 179.01 179.17 3hb9 h LYS 442 N 0.25 0.68 -0.00 2.33 1.57 -1.23 -2.20 116.57 117.97 3hb9 h LYS 442 Ca 0.03 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3hb9 h LYS 442 Cb 0.68 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hb9 h LYS 442 CO 0.05 0.97 0.00 1.98 -0.57 0.00 0.00 179.45 181.88 3hb9 h MET 443 N 0.56 0.00 -0.04 3.15 4.05 -1.12 -0.53 114.93 121.01 3hb9 h MET 443 Ca 0.05 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 3hb9 h MET 443 Cb 0.94 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 3hb9 h MET 443 CO 0.09 0.16 -0.21 0.28 0.23 0.00 0.00 176.91 177.45 3hb9 h VAL 444 N -0.15 0.50 -0.56 -5.77 2.07 -1.37 -0.61 116.25 110.35 3hb9 h VAL 444 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3hb9 h VAL 444 Cb 0.15 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 3hb9 h VAL 444 CO -0.00 0.00 0.12 -0.09 0.02 0.00 0.00 177.57 177.62 3hb9 h ARG 445 N -0.31 0.24 -0.10 1.57 2.43 -1.30 0.14 114.38 117.05 3hb9 h ARG 445 Ca 0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hb9 h ARG 445 Cb 0.41 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hb9 h ARG 445 CO -0.22 0.16 0.05 0.77 -1.51 0.00 0.00 179.97 179.23 3hb9 h SER 446 N 0.25 0.13 -0.33 -3.80 0.02 -0.68 -0.78 113.55 108.36 3hb9 h SER 446 Ca 0.29 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3hb9 h SER 446 Cb 0.42 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3hb9 h SER 446 CO -0.38 0.18 0.15 -0.07 -1.14 0.00 0.00 176.83 175.57 3hb9 h LEU 447 N 0.07 0.48 -0.64 5.07 3.38 -0.56 -0.92 115.31 122.18 3hb9 h LEU 447 Ca 0.04 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hb9 h LEU 447 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hb9 h LEU 447 CO -0.01 0.44 0.04 0.03 0.09 0.00 0.00 178.44 179.04 3hb9 h ARG 448 N 0.54 1.10 0.00 1.13 2.47 -0.42 -2.88 114.38 116.32 3hb9 h ARG 448 Ca 0.13 -0.33 -0.07 0.00 -1.26 0.00 0.00 59.98 58.46 3hb9 h ARG 448 Cb 0.11 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3hb9 h ARG 448 CO -0.01 1.04 -0.32 0.93 0.56 0.00 0.00 179.97 182.17 3hb9 h GLU 449 N 1.01 0.00 -6.55 0.04 5.08 -0.36 -3.43 114.58 110.38 3hb9 h GLU 449 Ca 0.19 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.02 3hb9 h GLU 449 Cb 0.52 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.80 3hb9 h GLU 449 CO 0.02 0.32 0.85 -1.64 -1.00 0.00 0.00 179.01 177.57 3hb9 s MET 450 N -3.91 4.25 -0.20 2.33 -1.94 -0.42 -4.73 119.30 114.67 3hb9 s MET 450 Ca -0.01 2.25 -0.05 0.00 -1.71 0.00 0.00 55.69 56.17 3hb9 s MET 450 Cb 0.13 -3.28 0.07 0.00 2.01 0.00 0.00 34.83 33.76 3hb9 s MET 450 CO 0.68 -0.58 0.13 1.03 -0.01 0.00 0.00 175.02 176.27 3hb9 s ARG 451 N 1.46 0.11 -0.21 2.03 0.52 -1.21 -4.97 118.95 116.68 3hb9 s ARG 451 Ca 0.69 -0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.80 3hb9 s ARG 451 Cb -0.40 -1.57 -0.00 0.00 0.52 0.00 0.00 34.95 33.49 3hb9 s ARG 451 CO 0.31 -0.72 -0.08 0.42 0.02 0.00 0.00 175.30 175.25 3hb9 s ILE 452 N 2.19 3.06 0.22 1.52 1.01 -1.26 -2.92 121.20 125.02 3hb9 s ILE 452 Ca 0.04 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.17 3hb9 s ILE 452 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3hb9 s ILE 452 CO -0.14 0.45 0.02 -0.13 0.00 0.00 0.00 174.94 175.14 3hb9 s ARG 453 N 1.43 2.42 0.00 2.79 1.81 -0.84 -4.71 118.95 121.85 3hb9 s ARG 453 Ca 0.06 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 3hb9 s ARG 453 Cb -0.14 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 32.06 3hb9 s ARG 453 CO -0.06 0.41 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 3hb9 n GLY 454 N -0.56 3.09 3.03 -3.53 0.00 -1.26 -2.39 105.19 103.57 3hb9 n GLY 454 Ca -0.08 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 3hb9 n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hb9 s VAL 455 N -0.52 0.70 -0.21 1.61 -7.23 -1.26 -4.85 120.40 108.64 3hb9 s VAL 455 Ca 0.00 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.44 3hb9 s VAL 455 Cb 0.00 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 3hb9 s VAL 455 CO 0.00 0.16 1.48 -0.54 -0.31 0.00 0.00 175.10 175.89 3hb9 s LYS 456 N -0.31 3.94 0.00 4.82 3.01 -1.26 -4.99 119.74 124.95 3hb9 s LYS 456 Ca 0.03 1.61 0.00 0.00 -1.01 0.00 0.00 55.97 56.60 3hb9 s LYS 456 Cb -0.04 -3.95 0.00 0.00 -1.01 0.00 0.00 37.83 32.84 3hb9 s LYS 456 CO -0.00 -1.10 0.00 0.25 0.51 0.00 0.00 175.35 175.00 3hb9 n THR 457 N 6.08 0.00 -0.13 2.17 -2.24 -1.26 -4.41 114.28 114.50 3hb9 n THR 457 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3hb9 n THR 457 Cb 0.45 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3hb9 n THR 457 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3hb9 n ASN 458 N 0.00 1.55 0.02 3.42 6.94 -0.78 -4.28 115.26 122.13 3hb9 n ASN 458 Ca 0.00 -1.68 -0.10 0.00 -0.02 0.00 0.00 54.58 52.78 3hb9 n ASN 458 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 3hb9 n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hb9 h ILE 459 N 0.32 0.53 -0.31 1.53 2.04 -1.93 -2.42 117.51 117.27 3hb9 h ILE 459 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3hb9 h ILE 459 Cb 0.45 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3hb9 h ILE 459 CO 0.00 0.00 0.22 -0.65 0.00 0.00 0.00 178.15 177.72 3hb9 h PRO 460 N -0.27 0.04 -0.07 2.37 0.11 -1.95 0.24 132.00 132.46 3hb9 h PRO 460 Ca 0.08 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3hb9 h PRO 460 Cb 0.38 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3hb9 h PRO 460 CO -0.23 0.02 -0.04 0.35 -0.21 0.00 0.00 178.00 177.89 3hb9 h PHE 461 N 0.04 0.19 -0.99 0.65 3.57 -1.81 -2.78 116.94 115.81 3hb9 h PHE 461 Ca 0.15 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hb9 h PHE 461 Cb 0.54 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 3hb9 h PHE 461 CO -0.00 0.55 0.64 -0.07 -2.23 0.00 0.00 178.31 177.19 3hb9 h LEU 462 N -0.23 1.15 0.33 0.59 3.38 -0.66 -1.41 115.31 118.46 3hb9 h LEU 462 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hb9 h LEU 462 Cb 0.50 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3hb9 h LEU 462 CO 0.01 0.84 -0.40 0.40 0.09 0.00 0.00 178.44 179.38 3hb9 h ILE 463 N 1.34 0.19 -0.00 1.22 2.04 -0.63 -2.47 117.51 119.20 3hb9 h ILE 463 Ca 0.36 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.17 3hb9 h ILE 463 Cb -0.13 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3hb9 h ILE 463 CO -0.07 0.00 -0.25 0.78 0.00 0.00 0.00 178.15 178.61 3hb9 h ASN 464 N -0.78 0.00 -0.13 1.72 2.35 -1.29 -0.02 115.58 117.44 3hb9 h ASN 464 Ca -0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3hb9 h ASN 464 Cb 0.72 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3hb9 h ASN 464 CO -0.11 0.25 0.09 0.58 -1.65 0.00 0.00 177.43 176.59 3hb9 h VAL 465 N 0.00 1.04 -0.25 2.81 2.07 -1.08 0.22 116.25 121.06 3hb9 h VAL 465 Ca -0.00 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 3hb9 h VAL 465 Cb 0.44 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3hb9 h VAL 465 CO 0.03 0.03 -0.43 0.24 0.02 0.00 0.00 177.57 177.46 3hb9 h MET 466 N 0.17 0.62 -0.12 1.57 2.86 -1.11 -3.20 114.93 115.72 3hb9 h MET 466 Ca 0.05 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 3hb9 h MET 466 Cb -0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3hb9 h MET 466 CO -0.01 0.93 -0.30 -0.22 1.06 0.00 0.00 176.91 178.37 3hb9 h LYS 467 N 0.50 0.23 -6.58 1.72 3.64 -0.73 -3.44 116.57 111.92 3hb9 h LYS 467 Ca 0.04 -0.09 -0.54 0.00 -1.27 0.00 0.00 60.65 58.79 3hb9 h LYS 467 Cb 0.96 -0.01 0.05 0.00 -0.41 0.00 0.00 32.23 32.82 3hb9 h LYS 467 CO 0.09 0.52 0.98 -1.71 -2.27 0.00 0.00 179.45 177.06 3hb9 n ASN 468 N -4.12 3.78 0.18 4.20 5.15 0.04 -4.89 115.26 119.61 3hb9 n ASN 468 Ca -0.01 1.05 0.03 0.00 -0.60 0.00 0.00 54.58 55.05 3hb9 n ASN 468 Cb 0.40 -1.53 0.41 0.00 -0.53 0.00 0.00 39.78 38.52 3hb9 n ASN 468 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3hb9 h LYS 469 N 6.96 0.06 0.00 1.20 3.11 -1.90 -2.00 116.57 123.99 3hb9 h LYS 469 Ca -0.44 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 3hb9 h LYS 469 Cb 1.22 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 3hb9 h LYS 469 CO 0.94 0.32 0.00 1.17 -2.81 0.00 0.00 179.45 179.07 3hb9 n LYS 470 N -4.21 0.15 -0.02 1.90 3.00 -1.26 -2.16 118.16 115.56 3hb9 n LYS 470 Ca -0.02 0.57 -0.21 0.00 -0.00 0.00 0.00 58.31 58.65 3hb9 n LYS 470 Cb 0.33 -1.92 -0.14 0.00 0.00 0.00 0.00 35.03 33.30 3hb9 n LYS 470 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3hb9 n PHE 471 N -2.23 1.07 0.23 5.64 -0.00 -0.75 -4.30 117.46 117.12 3hb9 n PHE 471 Ca -0.00 0.23 0.06 0.00 -0.00 0.00 0.00 57.45 57.74 3hb9 n PHE 471 Cb 0.09 -1.14 0.54 0.00 -0.00 0.00 0.00 39.48 38.97 3hb9 n PHE 471 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3hb9 h THR 472 N 0.02 1.04 0.00 -2.13 2.02 -1.44 -1.69 112.91 110.73 3hb9 h THR 472 Ca -0.45 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 3hb9 h THR 472 Cb 1.99 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 3hb9 h THR 472 CO 0.05 0.18 -0.21 0.77 0.37 0.00 0.00 175.52 176.68 3hb9 h SER 473 N 0.00 0.00 0.00 4.18 4.64 -1.75 -3.45 113.55 117.17 3hb9 h SER 473 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hb9 h SER 473 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hb9 h SER 473 CO 0.02 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3hb9 n GLY 474 N 0.66 -1.49 3.63 -0.77 0.00 -0.64 -4.82 105.19 101.76 3hb9 n GLY 474 Ca 0.02 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 3hb9 n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hb9 n ASP 475 N 0.05 -3.59 -4.58 1.61 9.92 -1.25 -4.76 116.55 113.95 3hb9 n ASP 475 Ca 0.00 -0.88 -0.28 0.00 -0.53 0.00 0.00 54.79 53.09 3hb9 n ASP 475 Cb 0.00 -3.96 -0.10 0.00 -0.64 0.00 0.00 41.12 36.42 3hb9 n ASP 475 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3hb9 s TYR 476 N -3.56 2.70 0.54 1.24 1.13 -1.26 -5.07 117.35 113.06 3hb9 s TYR 476 Ca 0.26 -0.18 0.08 0.00 -1.41 0.00 0.00 57.07 55.82 3hb9 s TYR 476 Cb -0.07 -1.37 0.06 0.00 -1.10 0.00 0.00 41.96 39.47 3hb9 s TYR 476 CO 0.82 0.46 0.65 -0.08 -2.51 0.00 0.00 175.55 174.89 3hb9 s THR 477 N -1.42 2.17 -0.59 -3.49 -1.32 -1.26 -4.76 115.64 104.98 3hb9 s THR 477 Ca 0.23 -1.14 0.24 0.00 -1.21 0.00 0.00 61.69 59.81 3hb9 s THR 477 Cb -0.10 -2.31 0.25 0.00 -1.51 0.00 0.00 72.50 68.83 3hb9 s THR 477 CO 0.14 0.00 1.73 0.35 -2.21 0.00 0.00 174.62 174.63 3hb9 n THR 478 N -2.04 0.75 -0.56 5.08 -2.24 -1.18 -2.82 114.28 111.26 3hb9 n THR 478 Ca 0.10 0.07 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 3hb9 n THR 478 Cb 0.62 -0.97 0.33 0.00 -2.10 0.00 0.00 70.33 68.21 3hb9 n THR 478 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hb9 n LYS 479 N -2.20 4.15 -0.24 -0.78 5.02 -1.26 -4.43 118.16 118.41 3hb9 n LYS 479 Ca 0.03 -2.58 -0.01 0.00 -2.02 0.00 0.00 58.31 53.73 3hb9 n LYS 479 Cb 0.29 -2.13 0.20 0.00 -0.02 0.00 0.00 35.03 33.37 3hb9 n LYS 479 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hb9 h PHE 480 N 3.20 1.01 0.13 2.13 3.57 -1.81 -0.27 116.94 124.91 3hb9 h PHE 480 Ca 0.02 -0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.22 3hb9 h PHE 480 Cb 1.75 -0.33 0.03 0.00 2.79 0.00 0.00 35.95 40.18 3hb9 h PHE 480 CO 0.92 0.68 -1.23 0.82 -2.23 0.00 0.00 178.31 177.26 3hb9 h ILE 481 N 1.06 1.30 -0.58 1.41 1.08 -1.80 -3.28 117.51 116.70 3hb9 h ILE 481 Ca 0.28 -2.47 -0.05 0.00 -0.39 0.00 0.00 64.86 62.22 3hb9 h ILE 481 Cb -0.04 2.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 3hb9 h ILE 481 CO -0.05 0.75 0.17 -0.33 -0.69 0.00 0.00 178.15 177.99 3hb9 h GLU 482 N 0.21 0.87 -1.02 2.37 5.08 -1.81 -3.13 114.58 117.15 3hb9 h GLU 482 Ca -0.19 -0.17 -0.55 0.00 -1.00 0.00 0.00 59.36 57.44 3hb9 h GLU 482 Cb 1.91 -0.14 -0.29 0.00 0.50 0.00 0.00 28.75 30.74 3hb9 h GLU 482 CO 0.24 0.76 0.71 0.39 -1.00 0.00 0.00 179.01 180.11 3hb9 n GLU 483 N -4.28 2.35 -3.59 2.33 1.02 -0.13 -4.77 120.64 113.58 3hb9 n GLU 483 Ca 0.04 -2.98 -0.29 0.00 -0.02 0.00 0.00 57.16 53.92 3hb9 n GLU 483 Cb 0.21 -2.17 -0.15 0.00 -0.02 0.00 0.00 31.44 29.31 3hb9 n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hb9 s THR 484 N -3.71 0.09 0.09 2.62 2.01 -1.19 -4.98 115.64 110.57 3hb9 s THR 484 Ca 0.57 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 3hb9 s THR 484 Cb 0.47 -1.02 -0.13 0.00 0.01 0.00 0.00 72.50 71.83 3hb9 s THR 484 CO 0.06 -0.64 1.34 1.55 -0.69 0.00 0.00 174.62 176.24 3hb9 h PRO 485 N 8.36 0.71 0.00 4.92 0.13 -1.87 -3.29 132.00 140.96 3hb9 h PRO 485 Ca -0.18 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3hb9 h PRO 485 Cb 1.03 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hb9 h PRO 485 CO 0.42 1.11 0.00 -0.85 -0.23 0.00 0.00 178.00 178.45 3hb9 n GLU 486 N -4.13 0.66 0.18 0.86 0.00 -1.26 -3.27 120.64 113.68 3hb9 n GLU 486 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.17 3hb9 n GLU 486 Cb 0.60 -1.22 0.14 0.00 0.00 0.00 0.00 31.44 30.95 3hb9 n GLU 486 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3hb9 h LEU 487 N 0.00 0.00 -8.75 -1.84 5.85 -1.96 -3.42 115.31 105.19 3hb9 h LEU 487 Ca 0.00 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 3hb9 h LEU 487 Cb 0.00 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 40.83 3hb9 h LEU 487 CO 0.00 0.29 -0.57 -0.36 -0.34 0.00 0.00 178.44 177.45 3hb9 s PHE 488 N -3.13 3.15 0.00 1.25 0.40 -1.20 -4.89 117.98 113.55 3hb9 s PHE 488 Ca 0.05 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 3hb9 s PHE 488 Cb 0.07 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 3hb9 s PHE 488 CO 0.70 -0.28 -0.06 -0.51 0.70 0.00 0.00 175.22 175.78 3hb9 s ASP 489 N 1.68 0.66 -0.73 1.36 1.01 -1.26 -5.10 116.67 114.27 3hb9 s ASP 489 Ca 0.07 -0.16 -0.22 0.00 0.71 0.00 0.00 52.55 52.95 3hb9 s ASP 489 Cb -0.16 -0.06 0.08 0.00 1.01 0.00 0.00 42.92 43.80 3hb9 s ASP 489 CO 0.07 0.03 1.02 -0.63 0.21 0.00 0.00 175.17 175.87 3hb9 s ILE 490 N -0.29 4.40 -0.29 0.77 -1.09 -1.26 -4.95 121.20 118.50 3hb9 s ILE 490 Ca 0.00 -0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 3hb9 s ILE 490 Cb -0.03 -4.72 0.12 0.00 -1.58 0.00 0.00 42.46 36.25 3hb9 s ILE 490 CO -0.00 -1.49 0.22 0.00 -1.23 0.00 0.00 174.94 172.45 3hb9 s GLN 491 N 3.78 0.26 0.44 2.79 -2.07 -1.26 -5.04 119.66 118.57 3hb9 s GLN 491 Ca 0.25 -0.30 0.24 0.00 -1.82 0.00 0.00 55.36 53.73 3hb9 s GLN 491 Cb -0.14 -0.88 0.94 0.00 -1.09 0.00 0.00 33.01 31.84 3hb9 s GLN 491 CO 0.05 -1.02 1.84 -1.35 -1.32 0.00 0.00 175.29 173.49 3hb9 h PRO 492 N 8.33 0.00 -5.39 9.60 0.11 -2.08 -3.48 132.00 139.08 3hb9 h PRO 492 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3hb9 h PRO 492 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hb9 h PRO 492 CO 0.38 0.23 -0.43 0.43 -0.21 0.00 0.00 178.00 178.40 3hb9 n SER 493 N -3.42 -7.75 -4.59 -2.05 7.64 -1.26 -4.84 113.62 97.36 3hb9 n SER 493 Ca -0.00 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 3hb9 n SER 493 Cb 0.42 -5.13 -0.03 0.00 -1.01 0.00 0.00 64.21 58.46 3hb9 n SER 493 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3hb9 s LEU 494 N -2.98 3.43 -0.97 -3.43 2.34 -1.26 -4.87 118.68 110.94 3hb9 s LEU 494 Ca 0.19 1.52 -0.24 0.00 0.06 0.00 0.00 54.13 55.66 3hb9 s LEU 494 Cb -0.05 -3.26 -0.08 0.00 -0.56 0.00 0.00 46.19 42.25 3hb9 s LEU 494 CO 0.77 -2.12 2.00 -0.62 -1.06 0.00 0.00 176.35 175.32 3hb9 s ASP 495 N 8.62 4.90 0.06 1.48 -1.08 -1.26 -4.78 116.67 124.61 3hb9 s ASP 495 Ca 0.94 -0.88 -0.15 0.00 -0.52 0.00 0.00 52.55 51.94 3hb9 s ASP 495 Cb -0.26 -2.57 -0.25 0.00 -1.46 0.00 0.00 42.92 38.37 3hb9 s ASP 495 CO 0.32 -3.05 1.15 0.03 0.52 0.00 0.00 175.17 174.15 3hb9 h ARG 496 N 11.03 0.66 -0.75 4.34 3.08 -1.99 -3.25 114.38 127.50 3hb9 h ARG 496 Ca 0.11 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.38 3hb9 h ARG 496 Cb 0.99 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 3hb9 h ARG 496 CO 1.18 1.34 0.41 0.78 -1.07 0.00 0.00 179.97 182.61 3hb9 h GLY 497 N 0.32 1.12 1.00 0.04 0.00 -1.98 -2.23 103.07 101.34 3hb9 h GLY 497 Ca -0.15 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3hb9 h GLY 497 CO 0.21 0.49 0.28 -0.84 0.00 0.00 0.00 176.54 176.68 3hb9 h THR 498 N 1.04 1.11 -0.91 4.70 2.02 -1.98 -1.02 112.91 117.88 3hb9 h THR 498 Ca 0.26 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3hb9 h THR 498 Cb 0.04 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 3hb9 h THR 498 CO -0.04 0.11 0.59 0.11 0.37 0.00 0.00 175.52 176.66 3hb9 h LYS 499 N 0.58 1.04 -0.17 6.66 1.57 -1.49 -0.49 116.57 124.27 3hb9 h LYS 499 Ca 0.16 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3hb9 h LYS 499 Cb -0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 3hb9 h LYS 499 CO -0.03 0.69 -0.12 1.15 -0.57 0.00 0.00 179.45 180.57 3hb9 h THR 500 N 1.08 1.32 -0.31 -0.16 2.02 -1.10 -2.21 112.91 113.55 3hb9 h THR 500 Ca 0.38 -1.21 0.09 0.00 0.77 0.00 0.00 66.41 66.43 3hb9 h THR 500 Cb 0.12 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3hb9 h THR 500 CO -0.13 0.36 0.23 -0.07 0.37 0.00 0.00 175.52 176.28 3hb9 h LEU 501 N 0.04 0.00 0.06 2.58 3.38 -0.53 -1.30 115.31 119.55 3hb9 h LEU 501 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3hb9 h LEU 501 Cb 0.62 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hb9 h LEU 501 CO 0.03 0.00 -0.70 -0.33 0.09 0.00 0.00 178.44 177.53 3hb9 h GLU 502 N 0.00 0.37 0.45 1.13 5.08 -0.94 -1.73 114.58 118.94 3hb9 h GLU 502 Ca 0.15 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3hb9 h GLU 502 Cb 0.60 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3hb9 h GLU 502 CO -0.00 1.16 -0.39 -0.92 -1.00 0.00 0.00 179.01 177.86 3hb9 h TYR 503 N -0.20 -1.05 -0.88 4.33 5.03 -0.78 0.20 116.97 123.62 3hb9 h TYR 503 Ca -0.10 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.32 3hb9 h TYR 503 Cb 1.46 0.40 -0.06 0.00 1.55 0.00 0.00 36.73 40.07 3hb9 h TYR 503 CO 0.17 -0.55 0.57 0.82 -1.32 0.00 0.00 178.16 177.84 3hb9 h ILE 504 N -0.84 0.93 -0.79 1.81 2.04 -1.37 -0.16 117.51 119.13 3hb9 h ILE 504 Ca -0.04 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3hb9 h ILE 504 Cb 0.73 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3hb9 h ILE 504 CO -0.03 0.15 0.36 1.23 0.00 0.00 0.00 178.15 179.86 3hb9 h GLY 505 N 0.82 1.23 0.56 5.37 0.00 -0.72 -1.93 103.07 108.41 3hb9 h GLY 505 Ca 0.42 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3hb9 h GLY 505 CO -0.18 0.60 -0.16 -0.57 0.00 0.00 0.00 176.54 176.23 3hb9 h ASN 506 N 1.14 0.23 0.43 0.19 -0.00 0.11 -3.09 115.58 114.60 3hb9 h ASN 506 Ca 0.27 -0.61 -0.10 0.00 -0.00 0.00 0.00 56.30 55.86 3hb9 h ASN 506 Cb 0.15 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.39 3hb9 h ASN 506 CO -0.03 0.80 -0.45 0.58 -0.00 0.00 0.00 177.43 178.34 3hb9 h VAL 507 N -0.33 1.32 -0.08 2.57 2.07 -1.25 0.20 116.25 120.75 3hb9 h VAL 507 Ca -0.01 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 3hb9 h VAL 507 Cb 0.78 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3hb9 h VAL 507 CO 0.03 0.44 -0.36 0.74 0.02 0.00 0.00 177.57 178.45 3hb9 h THR 508 N 0.01 1.28 0.03 2.57 2.02 -1.41 -2.47 112.91 114.94 3hb9 h THR 508 Ca -0.00 -1.34 -0.37 0.00 0.77 0.00 0.00 66.41 65.47 3hb9 h THR 508 Cb 0.80 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 3hb9 h THR 508 CO 0.06 0.40 -2.10 -0.38 0.37 0.00 0.00 175.52 173.87 3hb9 n ILE 509 N -4.08 1.58 0.47 3.11 2.08 -1.01 -4.71 119.36 116.79 3hb9 n ILE 509 Ca -0.01 -0.40 0.05 0.00 0.56 0.00 0.00 62.75 62.94 3hb9 n ILE 509 Cb 0.42 -1.78 -0.03 0.00 -0.75 0.00 0.00 39.64 37.51 3hb9 n ILE 509 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3hb9 n ASN 510 N -3.88 0.78 0.00 4.38 3.02 0.67 -4.88 115.26 115.35 3hb9 n ASN 510 Ca -0.42 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3hb9 n ASN 510 Cb 0.90 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 3hb9 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hb9 n GLY 511 N 1.10 -1.64 3.08 7.41 0.00 -0.93 -5.00 105.19 109.21 3hb9 n GLY 511 Ca 0.03 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3hb9 n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hb9 s PHE 512 N 0.00 -0.19 -0.19 1.61 5.36 -1.26 -4.37 117.98 118.94 3hb9 s PHE 512 Ca 0.00 0.46 -0.41 0.00 -0.96 0.00 0.00 56.93 56.02 3hb9 s PHE 512 Cb 0.00 0.06 -0.18 0.00 -0.34 0.00 0.00 43.02 42.57 3hb9 s PHE 512 CO 0.00 -0.12 1.48 -2.30 -1.46 0.00 0.00 175.22 172.82 3hb9 n PRO 513 N 2.81 0.67 -1.40 10.12 -0.02 -1.26 -2.15 135.00 143.78 3hb9 n PRO 513 Ca -0.14 0.24 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 3hb9 n PRO 513 Cb 0.58 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3hb9 n PRO 513 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hb9 n ASN 515 N 3.61 -5.11 -4.36 2.55 3.02 -1.26 -4.96 115.26 108.76 3hb9 n ASN 515 Ca 0.24 0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 54.81 3hb9 n ASN 515 Cb 0.09 -4.16 -0.14 0.00 -0.61 0.00 0.00 39.78 34.96 3hb9 n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hb9 s VAL 516 N -2.20 3.41 -0.16 2.41 1.01 -0.91 -4.81 120.40 119.14 3hb9 s VAL 516 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 3hb9 s VAL 516 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3hb9 s VAL 516 CO 0.00 0.46 2.04 -0.70 0.00 0.00 0.00 175.10 176.89 3hb9 s GLU 517 N 1.05 3.50 -0.33 2.72 2.12 -1.26 -4.51 118.70 121.99 3hb9 s GLU 517 Ca 0.01 2.08 -0.27 0.00 0.36 0.00 0.00 54.97 57.14 3hb9 s GLU 517 Cb -0.15 -4.26 -0.06 0.00 0.26 0.00 0.00 34.13 29.93 3hb9 s GLU 517 CO -0.00 -1.67 2.31 1.17 -0.54 0.00 0.00 175.26 176.52 3hb9 n LYS 518 N 8.26 1.57 -3.90 4.30 3.00 -1.26 -4.91 118.16 125.22 3hb9 n LYS 518 Ca 0.25 0.31 -0.10 0.00 -0.00 0.00 0.00 58.31 58.78 3hb9 n LYS 518 Cb 0.44 -3.30 -0.06 0.00 0.00 0.00 0.00 35.03 32.12 3hb9 n LYS 518 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hb9 s ARG 519 N 7.14 1.23 0.50 1.64 1.70 -1.26 -5.14 118.95 124.75 3hb9 s ARG 519 Ca 1.00 -1.08 -0.22 0.00 -0.47 0.00 0.00 55.73 54.96 3hb9 s ARG 519 Cb -0.29 0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 34.43 3hb9 s ARG 519 CO 0.32 -0.47 1.06 -2.30 -1.08 0.00 0.00 175.30 172.82 3hb9 n PRO 520 N -0.25 1.31 -1.57 3.89 -0.02 -1.26 -4.82 135.00 132.27 3hb9 n PRO 520 Ca -0.08 0.48 -0.55 0.00 -2.02 0.00 0.00 63.50 61.33 3hb9 n PRO 520 Cb 0.63 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 3hb9 n PRO 520 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hb9 n LYS 521 N -0.36 1.10 -1.50 -0.52 4.81 -1.26 -4.88 118.16 115.55 3hb9 n LYS 521 Ca 0.10 0.37 -0.33 0.00 -0.87 0.00 0.00 58.31 57.58 3hb9 n LYS 521 Cb 0.43 -2.22 0.08 0.00 0.02 0.00 0.00 35.03 33.33 3hb9 n LYS 521 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3hb9 s PRO 522 N 4.79 2.36 0.11 1.64 0.02 -1.26 -4.98 135.00 137.67 3hb9 s PRO 522 Ca 1.04 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.27 3hb9 s PRO 522 Cb -1.00 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 31.57 3hb9 s PRO 522 CO 0.59 -1.61 1.15 0.34 -0.33 0.00 0.00 177.00 177.14 3hb9 s ASP 523 N -2.48 7.16 0.14 2.53 2.15 -1.26 -5.05 116.67 119.86 3hb9 s ASP 523 Ca 0.69 2.04 0.08 0.00 0.43 0.00 0.00 52.55 55.79 3hb9 s ASP 523 Cb -0.23 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.76 3hb9 s ASP 523 CO 0.46 -0.36 -0.20 -0.31 -0.17 0.00 0.00 175.17 174.59 3hb9 s TYR 524 N 0.50 1.83 0.51 -5.34 1.51 -1.26 -5.12 117.35 109.98 3hb9 s TYR 524 Ca 0.55 -0.44 -0.18 0.00 -1.01 0.00 0.00 57.07 55.98 3hb9 s TYR 524 Cb -0.29 -0.95 -0.08 0.00 -0.11 0.00 0.00 41.96 40.53 3hb9 s TYR 524 CO 0.32 0.29 0.99 -1.21 -1.11 0.00 0.00 175.55 174.83 3hb9 s GLU 525 N -2.44 3.89 0.10 -0.62 2.02 -1.26 -4.99 118.70 115.40 3hb9 s GLU 525 Ca 0.12 1.06 -0.31 0.00 0.02 0.00 0.00 54.97 55.86 3hb9 s GLU 525 Cb -0.07 -2.12 -0.10 0.00 0.10 0.00 0.00 34.13 31.94 3hb9 s GLU 525 CO 0.06 -0.33 1.77 -0.51 0.02 0.00 0.00 175.26 176.27 3hb9 s LEU 526 N -3.93 4.39 -0.54 1.80 1.43 -1.26 -4.95 118.68 115.61 3hb9 s LEU 526 Ca 0.61 2.66 -0.18 0.00 -1.03 0.00 0.00 54.13 56.19 3hb9 s LEU 526 Cb -0.11 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.63 3hb9 s LEU 526 CO 0.28 -0.97 0.62 0.00 0.23 0.00 0.00 176.35 176.51 3hb9 s ALA 527 N 2.77 3.45 -0.05 4.21 0.00 -1.26 -5.03 121.76 125.85 3hb9 s ALA 527 Ca 0.79 -2.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 3hb9 s ALA 527 Cb -0.44 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 3hb9 s ALA 527 CO 0.35 -2.13 1.58 0.45 0.00 0.00 0.00 175.76 176.01 3hb9 s SER 528 N 3.20 6.72 -0.57 0.00 0.15 -1.26 -4.96 113.70 116.98 3hb9 s SER 528 Ca 0.11 2.18 -0.12 0.00 0.70 0.00 0.00 55.95 58.82 3hb9 s SER 528 Cb -0.23 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.68 3hb9 s SER 528 CO 0.08 -0.88 0.48 -0.63 1.20 0.00 0.00 173.24 173.49 3hb9 s ILE 529 N 3.67 4.75 0.55 6.45 1.01 -1.26 -4.80 121.20 131.58 3hb9 s ILE 529 Ca 0.70 -1.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.21 3hb9 s ILE 529 Cb -0.32 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3hb9 s ILE 529 CO 0.28 -0.86 1.31 -2.16 0.00 0.00 0.00 174.94 173.50 3hb9 s PRO 530 N 1.09 3.14 0.01 2.79 0.04 -1.26 -5.02 135.00 135.79 3hb9 s PRO 530 Ca 0.08 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.24 3hb9 s PRO 530 Cb -0.24 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 3hb9 s PRO 530 CO -0.01 -1.15 -0.06 0.99 0.04 0.00 0.00 177.00 176.81 3hb9 s THR 531 N -1.38 0.44 -0.06 1.26 2.01 -1.26 -4.37 115.64 112.27 3hb9 s THR 531 Ca 0.72 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 62.26 3hb9 s THR 531 Cb -0.37 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 3hb9 s THR 531 CO 0.43 -0.06 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.41 3hb9 s VAL 532 N -0.55 1.73 0.60 3.82 1.01 -1.26 -4.89 120.40 120.87 3hb9 s VAL 532 Ca -0.02 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 3hb9 s VAL 532 Cb -0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3hb9 s VAL 532 CO -0.00 0.49 1.29 -0.94 0.00 0.00 0.00 175.10 175.94 3hb9 s SER 533 N 0.11 4.96 0.33 3.32 1.04 -1.26 -4.78 113.70 117.43 3hb9 s SER 533 Ca -0.08 2.60 0.10 0.00 0.48 0.00 0.00 55.95 59.05 3hb9 s SER 533 Cb -0.14 -2.62 0.58 0.00 0.10 0.00 0.00 66.02 63.94 3hb9 s SER 533 CO 0.04 -1.77 1.76 0.77 0.98 0.00 0.00 173.24 175.03 3hb9 h SER 534 N 0.91 0.09 0.99 7.02 4.64 -1.99 -2.57 113.55 122.66 3hb9 h SER 534 Ca -0.51 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.73 3hb9 h SER 534 Cb 1.32 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3hb9 h SER 534 CO 0.55 0.50 -0.20 0.77 -0.87 0.00 0.00 176.83 177.57 3hb9 h SER 535 N 0.08 0.00 0.02 4.97 4.64 -1.99 -1.14 113.55 120.14 3hb9 h SER 535 Ca 0.01 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 3hb9 h SER 535 Cb 0.76 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3hb9 h SER 535 CO 0.06 0.20 -0.86 0.50 -0.87 0.00 0.00 176.83 175.86 3hb9 h LYS 536 N 0.00 0.54 -0.11 4.77 3.64 -1.84 -3.23 116.57 120.34 3hb9 h LYS 536 Ca -0.00 -0.61 -0.10 0.00 -1.27 0.00 0.00 60.65 58.67 3hb9 h LYS 536 Cb 0.75 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3hb9 h LYS 536 CO 0.03 1.23 -0.37 0.82 -2.27 0.00 0.00 179.45 178.89 3hb9 h ILE 537 N 0.11 1.29 0.00 2.00 2.04 -1.33 -2.27 117.51 119.35 3hb9 h ILE 537 Ca -0.11 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 3hb9 h ILE 537 Cb 1.55 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3hb9 h ILE 537 CO 0.17 0.42 -0.07 0.00 0.00 0.00 0.00 178.15 178.67 3hb9 h ALA 538 N 1.42 1.16 0.00 1.87 0.00 -1.28 -1.72 119.26 120.71 3hb9 h ALA 538 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hb9 h ALA 538 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hb9 h ALA 538 CO 0.06 0.09 -0.12 -1.13 0.00 0.00 0.00 179.25 178.15 3hb9 n SER 538 N -3.41 0.18 -4.77 0.00 3.41 -0.86 -4.89 113.62 103.27 3hb9 n SER 538 Ca -0.01 0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.56 3hb9 n SER 538 Cb 0.22 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 3hb9 n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hb9 s PHE 538 N -3.01 3.74 -0.43 7.33 2.99 -0.65 -5.03 117.98 122.92 3hb9 s PHE 538 Ca 0.13 1.81 0.02 0.00 0.00 0.00 0.00 56.93 58.89 3hb9 s PHE 538 Cb 0.18 -2.94 0.13 0.00 0.00 0.00 0.00 43.02 40.39 3hb9 s PHE 538 CO 0.57 0.23 0.21 0.45 -0.00 0.00 0.00 175.22 176.69 3hb9 s SER 539 N -1.52 3.85 0.00 1.36 0.15 -1.26 -4.85 113.70 111.43 3hb9 s SER 539 Ca 0.48 -2.53 0.00 0.00 0.70 0.00 0.00 55.95 54.61 3hb9 s SER 539 Cb -0.20 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 3hb9 s SER 539 CO 0.26 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.02 3hb9 n GLY 540 N 3.69 2.70 0.27 9.45 0.00 -1.20 -4.95 105.19 115.15 3hb9 n GLY 540 Ca 0.06 -1.93 0.17 0.00 0.00 0.00 0.00 46.02 44.32 3hb9 n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hb9 h THR 541 N 0.00 0.00 -0.26 2.61 1.35 -1.62 -2.56 112.91 112.43 3hb9 h THR 541 Ca 0.00 -0.48 -0.03 0.00 -0.55 0.00 0.00 66.41 65.35 3hb9 h THR 541 Cb 0.00 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3hb9 h THR 541 CO 0.00 0.00 0.06 0.50 -0.25 0.00 0.00 175.52 175.83 3hb9 h LYS 542 N 0.00 0.42 -0.63 4.72 3.11 -1.51 -2.37 116.57 120.30 3hb9 h LYS 542 Ca 0.00 -0.10 -0.08 0.00 -2.81 0.00 0.00 60.65 57.66 3hb9 h LYS 542 Cb 0.49 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 3hb9 h LYS 542 CO 0.00 0.51 0.08 1.96 -2.81 0.00 0.00 179.45 179.19 3hb9 h GLN 543 N 0.25 1.05 -0.00 1.90 1.08 -1.65 -2.51 115.11 115.23 3hb9 h GLN 543 Ca 0.08 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 3hb9 h GLN 543 Cb 0.29 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 3hb9 h GLN 543 CO 0.00 0.98 -0.24 1.25 -0.95 0.00 0.00 178.83 179.87 3hb9 h LEU 544 N 0.98 -0.72 -0.97 1.46 5.85 -1.37 -0.84 115.31 119.69 3hb9 h LEU 544 Ca 0.19 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.14 3hb9 h LEU 544 Cb 0.46 0.30 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 3hb9 h LEU 544 CO 0.02 -0.31 0.60 0.25 -0.34 0.00 0.00 178.44 178.65 3hb9 h LEU 545 N -0.38 0.85 -1.66 2.25 5.85 -1.30 0.35 115.31 121.27 3hb9 h LEU 545 Ca 0.06 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hb9 h LEU 545 Cb 0.46 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hb9 h LEU 545 CO -0.22 0.43 -0.20 0.44 -0.34 0.00 0.00 178.44 178.55 3hb9 h ASP 546 N 0.91 0.00 0.06 1.25 3.32 -0.88 -1.51 116.42 119.56 3hb9 h ASP 546 Ca 0.50 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.18 3hb9 h ASP 546 Cb 0.55 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 3hb9 h ASP 546 CO -0.29 0.20 -2.33 -0.62 -1.72 0.00 0.00 179.24 174.48 3hb9 n GLU 547 N -4.03 0.68 0.00 3.56 -0.58 0.06 -4.68 120.64 115.65 3hb9 n GLU 547 Ca -0.02 0.09 0.01 0.00 -0.42 0.00 0.00 57.16 56.82 3hb9 n GLU 547 Cb 0.27 -1.56 -0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3hb9 n GLU 547 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3hb9 n VAL 548 N -2.99 0.00 -0.24 2.62 0.24 0.10 -5.09 118.33 112.97 3hb9 n VAL 548 Ca -0.36 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 3hb9 n VAL 548 Cb 1.09 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.47 3hb9 n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hb9 n GLY 549 N 0.72 -2.37 0.26 7.63 0.00 -0.57 -3.01 105.19 107.84 3hb9 n GLY 549 Ca 0.01 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 3hb9 n GLY 549 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hb9 h PRO 550 N 0.00 0.87 -0.65 1.61 0.11 -1.81 -2.36 132.00 129.77 3hb9 h PRO 550 Ca 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 3hb9 h PRO 550 Cb 0.00 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3hb9 h PRO 550 CO 0.00 0.77 0.24 0.87 -0.21 0.00 0.00 178.00 179.67 3hb9 h LYS 551 N 0.79 0.98 -0.73 1.05 1.57 -1.96 -2.75 116.57 115.52 3hb9 h LYS 551 Ca 0.18 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3hb9 h LYS 551 Cb 0.26 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3hb9 h LYS 551 CO -0.01 0.84 0.37 0.78 -0.57 0.00 0.00 179.45 180.86 3hb9 h GLY 552 N 0.92 1.10 0.92 3.86 0.00 -1.44 -1.09 103.07 107.35 3hb9 h GLY 552 Ca 0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3hb9 h GLY 552 CO -0.01 0.49 0.09 -2.08 0.00 0.00 0.00 176.54 175.02 3hb9 h VAL 553 N 1.03 1.12 -0.79 4.60 2.07 -1.28 -1.86 116.25 121.14 3hb9 h VAL 553 Ca 0.26 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3hb9 h VAL 553 Cb 0.07 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3hb9 h VAL 553 CO -0.04 0.11 0.49 0.00 0.02 0.00 0.00 177.57 178.15 3hb9 h ALA 554 N 0.97 1.00 -0.27 1.67 0.00 -1.18 0.09 119.26 121.53 3hb9 h ALA 554 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hb9 h ALA 554 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hb9 h ALA 554 CO -0.01 0.45 -0.00 0.93 0.00 0.00 0.00 179.25 180.62 3hb9 h GLU 555 N 1.07 0.41 -0.09 0.00 4.39 -1.13 -2.49 114.58 116.75 3hb9 h GLU 555 Ca 0.28 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.77 3hb9 h GLU 555 Cb -0.06 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3hb9 h GLU 555 CO -0.06 0.45 -0.48 2.35 -1.16 0.00 0.00 179.01 180.11 3hb9 h TRP 556 N 0.40 0.66 -0.86 4.33 7.01 -0.47 -3.11 115.95 123.91 3hb9 h TRP 556 Ca 0.09 -0.29 0.07 0.00 2.11 0.00 0.00 58.89 60.87 3hb9 h TRP 556 Cb 0.28 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.17 3hb9 h TRP 556 CO 0.01 1.07 0.53 0.28 -2.79 0.00 0.00 178.44 177.54 3hb9 h VAL 557 N 0.06 1.01 -0.02 2.65 2.07 -0.90 -1.99 116.25 119.13 3hb9 h VAL 557 Ca -0.03 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3hb9 h VAL 557 Cb 1.13 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3hb9 h VAL 557 CO 0.10 0.17 -0.18 0.50 0.02 0.00 0.00 177.57 178.18 3hb9 h LYS 558 N 0.95 0.04 0.00 1.57 3.64 -1.48 -2.83 116.57 118.46 3hb9 h LYS 558 Ca 0.39 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 3hb9 h LYS 558 Cb 0.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3hb9 h LYS 558 CO -0.19 0.22 -0.58 0.87 -2.27 0.00 0.00 179.45 177.50 3hb9 h LYS 559 N 0.04 0.00 -6.54 1.90 1.57 -1.29 -3.46 116.57 108.79 3hb9 h LYS 559 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 3hb9 h LYS 559 Cb 0.34 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.68 3hb9 h LYS 559 CO 0.02 0.58 0.78 -0.65 -0.57 0.00 0.00 179.45 179.61 3hb9 s GLN 560 N -2.98 4.29 0.04 3.15 -1.52 -1.07 -4.93 119.66 116.63 3hb9 s GLN 560 Ca 0.03 2.14 -0.16 0.00 -1.95 0.00 0.00 55.36 55.42 3hb9 s GLN 560 Cb 0.08 -3.28 -0.31 0.00 -0.22 0.00 0.00 33.01 29.28 3hb9 s GLN 560 CO 0.75 -0.50 1.06 0.22 -0.25 0.00 0.00 175.29 176.57 3hb9 h ASP 561 N 6.98 0.85 -4.25 5.90 1.82 -1.89 -3.46 116.42 122.37 3hb9 h ASP 561 Ca -0.42 -0.86 -0.52 0.00 -0.39 0.00 0.00 57.03 54.84 3hb9 h ASP 561 Cb 1.21 -0.27 0.17 0.00 0.68 0.00 0.00 39.33 41.12 3hb9 h ASP 561 CO 0.88 1.63 0.29 -1.81 -1.61 0.00 0.00 179.24 178.62 3hb9 s ASP 562 N -7.45 3.56 -0.25 2.28 1.01 -1.26 -4.78 116.67 109.79 3hb9 s ASP 562 Ca -0.10 2.17 -0.25 0.00 0.71 0.00 0.00 52.55 55.09 3hb9 s ASP 562 Cb 0.05 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 3hb9 s ASP 562 CO 0.93 -2.68 0.83 -0.69 0.21 0.00 0.00 175.17 173.77 3hb9 s VAL 563 N -2.52 4.83 0.37 -1.27 1.01 -0.23 -4.92 120.40 117.67 3hb9 s VAL 563 Ca 0.68 1.56 -0.17 0.00 0.00 0.00 0.00 61.98 64.05 3hb9 s VAL 563 Cb -0.23 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 3hb9 s VAL 563 CO 0.54 -0.09 0.82 -0.76 0.00 0.00 0.00 175.10 175.62 3hb9 s LEU 564 N 2.87 3.99 0.20 3.92 1.43 -1.00 -1.51 118.68 128.57 3hb9 s LEU 564 Ca 0.35 1.43 0.09 0.00 -1.03 0.00 0.00 54.13 54.97 3hb9 s LEU 564 Cb -0.15 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 3hb9 s LEU 564 CO 0.08 -0.28 -0.17 -1.48 0.23 0.00 0.00 176.35 174.72 3hb9 s LEU 565 N -3.13 2.50 -0.16 1.79 0.05 -1.26 -2.40 118.68 116.06 3hb9 s LEU 565 Ca 0.57 -0.94 0.01 0.00 0.05 0.00 0.00 54.13 53.81 3hb9 s LEU 565 Cb -0.10 -0.83 0.03 0.00 -2.05 0.00 0.00 46.19 43.24 3hb9 s LEU 565 CO 0.17 -0.06 -0.14 -0.89 -0.55 0.00 0.00 176.35 174.88 3hb9 s THR 566 N -2.42 1.63 0.24 5.48 2.01 -0.06 -0.82 115.64 121.71 3hb9 s THR 566 Ca 0.20 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 3hb9 s THR 566 Cb -0.04 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 3hb9 s THR 566 CO 0.08 0.39 0.89 -0.62 -0.69 0.00 0.00 174.62 174.68 3hb9 s ASP 567 N 1.45 7.49 0.00 3.53 2.15 -1.10 0.02 116.67 130.20 3hb9 s ASP 567 Ca 0.03 1.83 0.01 0.00 0.43 0.00 0.00 52.55 54.85 3hb9 s ASP 567 Cb -0.14 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3hb9 s ASP 567 CO -0.10 0.11 0.80 0.35 -0.17 0.00 0.00 175.17 176.15 3hb9 n THR 568 N 1.24 0.52 -0.34 1.71 -2.24 -0.31 -0.98 114.28 113.87 3hb9 n THR 568 Ca -0.02 -0.76 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 3hb9 n THR 568 Cb 0.48 0.75 0.31 0.00 -2.10 0.00 0.00 70.33 69.78 3hb9 n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hb9 h THR 569 N 0.25 0.79 0.00 4.28 2.02 -1.80 0.63 112.91 119.07 3hb9 h THR 569 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3hb9 h THR 569 Cb 0.30 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3hb9 h THR 569 CO 0.00 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.53 3hb9 n PHE 570 N -4.68 0.00 0.00 3.16 3.72 -1.26 -4.19 117.46 114.21 3hb9 n PHE 570 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3hb9 n PHE 570 Cb 0.50 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3hb9 n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3hb9 n ARG 571 N -1.28 0.00 0.21 -1.08 0.00 0.13 -4.67 116.66 109.97 3hb9 n ARG 571 Ca 0.14 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.06 3hb9 n ARG 571 Cb 0.23 0.00 0.48 0.00 0.00 0.00 0.00 32.46 33.17 3hb9 n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hb9 h ASP 572 N 0.00 0.00 0.29 6.15 -0.00 -1.64 -0.85 116.42 120.38 3hb9 h ASP 572 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3hb9 h ASP 572 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3hb9 h ASP 572 CO 0.00 0.28 -0.14 0.00 -0.00 0.00 0.00 179.24 179.38 3hb9 h ALA 573 N 1.72 -0.39 0.00 -0.78 0.00 -1.58 -0.92 119.26 117.31 3hb9 h ALA 573 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hb9 h ALA 573 Cb 0.61 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hb9 h ALA 573 CO 0.04 -0.68 0.00 1.12 0.00 0.00 0.00 179.25 179.73 3hb9 h HIS 574 N -0.47 0.00 -0.74 0.00 2.07 -1.67 -0.59 115.15 113.75 3hb9 h HIS 574 Ca -0.04 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.43 3hb9 h HIS 574 Cb 0.36 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.30 3hb9 h HIS 574 CO -0.04 0.00 0.27 0.37 -3.07 0.00 0.00 177.93 175.46 3hb9 h GLN 575 N 0.00 1.12 0.08 5.12 4.15 -1.06 0.50 115.11 125.02 3hb9 h GLN 575 Ca 0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 3hb9 h GLN 575 Cb 0.97 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.49 3hb9 h GLN 575 CO 0.00 0.93 -0.04 0.77 -1.93 0.00 0.00 178.83 178.57 3hb9 h SER 576 N 1.07 -0.09 0.53 -0.69 0.02 -0.98 -3.35 113.55 110.06 3hb9 h SER 576 Ca 0.24 -0.51 -0.29 0.00 -0.84 0.00 0.00 61.79 60.39 3hb9 h SER 576 Cb 0.26 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3hb9 h SER 576 CO -0.01 0.54 -1.58 -0.07 -1.14 0.00 0.00 176.83 174.56 3hb9 h LEU 577 N -0.80 0.12 -3.62 5.07 3.38 -1.16 -3.41 115.31 114.89 3hb9 h LEU 577 Ca -0.01 -0.21 -0.22 0.00 0.09 0.00 0.00 57.88 57.53 3hb9 h LEU 577 Cb 0.60 -0.04 -0.28 0.00 0.09 0.00 0.00 40.66 41.03 3hb9 h LEU 577 CO 0.02 1.19 -0.83 0.18 0.09 0.00 0.00 178.44 179.08 3hb9 n LEU 578 N -3.23 2.55 -3.38 1.67 4.77 -0.01 -2.87 117.00 116.51 3hb9 n LEU 578 Ca -0.15 -3.43 -0.24 0.00 -0.03 0.00 0.00 56.01 52.16 3hb9 n LEU 578 Cb 1.03 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3hb9 n LEU 578 CO 0.46 1.26 -0.03 0.00 -1.33 0.00 0.00 177.39 177.75 3hb9 n ALA 579 N -0.50 -1.07 -1.58 -1.18 0.00 -1.04 -1.16 120.51 113.97 3hb9 n ALA 579 Ca 0.19 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 3hb9 n ALA 579 Cb 0.90 -2.88 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 3hb9 n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hb9 n THR 580 N -3.99 -0.03 1.31 0.00 -1.04 -0.20 -4.87 114.28 105.45 3hb9 n THR 580 Ca -0.02 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.13 3hb9 n THR 580 Cb 0.54 -1.85 0.61 0.00 -1.82 0.00 0.00 70.33 67.82 3hb9 n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hb9 n ARG 581 N -2.29 0.45 -1.77 -2.82 5.12 -0.31 -4.83 116.66 110.21 3hb9 n ARG 581 Ca -0.19 -0.12 -0.42 0.00 -1.93 0.00 0.00 57.85 55.19 3hb9 n ARG 581 Cb 0.63 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.40 3hb9 n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hb9 s VAL 582 N -2.63 3.19 0.56 1.55 1.01 -1.26 -4.97 120.40 117.84 3hb9 s VAL 582 Ca 0.25 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 3hb9 s VAL 582 Cb 0.20 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3hb9 s VAL 582 CO 0.50 -0.02 0.97 -0.13 0.00 0.00 0.00 175.10 176.42 3hb9 s ARG 583 N 4.34 3.70 0.28 2.72 0.52 -1.26 -4.97 118.95 124.28 3hb9 s ARG 583 Ca 0.84 0.72 0.02 0.00 -0.52 0.00 0.00 55.73 56.79 3hb9 s ARG 583 Cb -0.40 -2.16 0.61 0.00 0.52 0.00 0.00 34.95 33.53 3hb9 s ARG 583 CO 0.38 -0.40 1.79 1.15 0.02 0.00 0.00 175.30 178.25 3hb9 h THR 584 N 0.20 0.80 -0.68 0.02 2.02 -1.93 -2.69 112.91 110.65 3hb9 h THR 584 Ca -0.45 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 66.53 3hb9 h THR 584 Cb 1.19 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 3hb9 h THR 584 CO 0.62 0.15 0.35 0.50 0.37 0.00 0.00 175.52 177.51 3hb9 h LYS 585 N 0.81 0.60 0.00 6.66 1.63 -1.90 0.37 116.57 124.74 3hb9 h LYS 585 Ca 0.52 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.19 3hb9 h LYS 585 Cb 0.67 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3hb9 h LYS 585 CO -0.33 0.39 -0.44 -0.44 -3.45 0.00 0.00 179.45 175.19 3hb9 h ASP 586 N 0.61 0.00 0.00 4.20 3.45 -1.86 -2.32 116.42 120.51 3hb9 h ASP 586 Ca 0.32 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.78 3hb9 h ASP 586 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3hb9 h ASP 586 CO -0.24 0.44 -0.00 0.24 -1.57 0.00 0.00 179.24 178.11 3hb9 h MET 587 N 0.00 -0.00 -0.90 3.56 2.86 -1.10 -3.33 114.93 116.02 3hb9 h MET 587 Ca -0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3hb9 h MET 587 Cb 0.89 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.49 3hb9 h MET 587 CO 0.06 0.74 0.58 0.82 1.06 0.00 0.00 176.91 180.16 3hb9 h ILE 588 N -0.75 0.98 -0.57 -1.22 1.08 -0.25 -2.36 117.51 114.42 3hb9 h ILE 588 Ca -0.00 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3hb9 h ILE 588 Cb 0.74 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 3hb9 h ILE 588 CO 0.00 0.17 0.37 0.78 -0.69 0.00 0.00 178.15 178.78 3hb9 h ASN 589 N 0.91 0.61 -0.44 1.72 -0.26 -1.53 -2.46 115.58 114.14 3hb9 h ASN 589 Ca 0.42 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.14 3hb9 h ASN 589 Cb 0.39 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3hb9 h ASN 589 CO -0.18 0.43 0.00 2.30 -1.06 0.00 0.00 177.43 178.92 3hb9 n ILE 590 N -4.46 1.88 -0.03 2.81 -6.64 -0.98 -4.65 119.36 107.29 3hb9 n ILE 590 Ca 0.06 -1.40 -0.09 0.00 -1.77 0.00 0.00 62.75 59.55 3hb9 n ILE 590 Cb 0.09 0.05 -0.03 0.00 -1.44 0.00 0.00 39.64 38.31 3hb9 n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3hb9 h ALA 591 N 2.83 0.15 -0.16 -1.28 0.00 -0.93 0.23 119.26 120.09 3hb9 h ALA 591 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hb9 h ALA 591 Cb 1.33 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3hb9 h ALA 591 CO 0.20 -0.43 -0.24 0.66 0.00 0.00 0.00 179.25 179.43 3hb9 h SER 592 N 0.07 0.28 -0.09 0.00 4.64 -1.78 0.26 113.55 116.92 3hb9 h SER 592 Ca 0.08 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3hb9 h SER 592 Cb 0.09 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hb9 h SER 592 CO -0.12 0.53 -0.25 0.50 -0.87 0.00 0.00 176.83 176.62 3hb9 h LYS 593 N 0.26 0.33 -0.90 4.77 1.63 -1.71 -3.14 116.57 117.81 3hb9 h LYS 593 Ca 0.04 -0.24 0.08 0.00 -0.85 0.00 0.00 60.65 59.69 3hb9 h LYS 593 Cb 0.57 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.17 3hb9 h LYS 593 CO 0.04 0.85 0.55 1.15 -3.45 0.00 0.00 179.45 178.59 3hb9 h THR 594 N -0.13 1.00 -0.74 1.00 2.02 -0.15 0.15 112.91 116.06 3hb9 h THR 594 Ca -0.01 -0.33 0.12 0.00 0.77 0.00 0.00 66.41 66.97 3hb9 h THR 594 Cb 0.87 -0.05 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 3hb9 h THR 594 CO 0.05 0.18 0.33 0.00 0.37 0.00 0.00 175.52 176.45 3hb9 h ALA 595 N 1.45 1.04 -0.01 6.16 0.00 -0.55 -0.95 119.26 126.39 3hb9 h ALA 595 Ca 0.41 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 3hb9 h ALA 595 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hb9 h ALA 595 CO -0.20 -0.15 -0.10 0.22 0.00 0.00 0.00 179.25 179.02 3hb9 h ASP 596 N 0.51 0.11 -0.02 0.00 3.58 -1.12 -2.90 116.42 116.58 3hb9 h ASP 596 Ca 0.39 -0.70 0.01 0.00 0.42 0.00 0.00 57.03 57.16 3hb9 h ASP 596 Cb 0.53 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3hb9 h ASP 596 CO -0.35 0.79 -0.05 0.58 -2.88 0.00 0.00 179.24 177.33 3hb9 h VAL 597 N -0.57 0.87 -0.79 2.25 2.07 -0.61 -2.68 116.25 116.80 3hb9 h VAL 597 Ca -0.01 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.04 3hb9 h VAL 597 Cb 0.79 0.87 -0.24 0.00 -1.52 0.00 0.00 31.29 31.20 3hb9 h VAL 597 CO 0.02 0.00 0.61 0.49 0.02 0.00 0.00 177.57 178.71 3hb9 n PHE 598 N -5.16 2.49 0.31 1.57 3.01 -0.38 -4.11 117.46 115.19 3hb9 n PHE 598 Ca -0.06 -2.11 0.18 0.00 1.01 0.00 0.00 57.45 56.47 3hb9 n PHE 598 Cb 0.09 -1.04 0.98 0.00 -0.01 0.00 0.00 39.48 39.50 3hb9 n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3hb9 h LYS 599 N 1.31 0.00 -0.05 -1.08 2.10 -1.25 -2.66 116.57 114.94 3hb9 h LYS 599 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 3hb9 h LYS 599 Cb 1.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 3hb9 h LYS 599 CO 1.07 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 178.30 3hb9 n ASP 600 N -3.45 1.93 -4.75 7.07 8.00 -1.26 -4.57 116.55 119.52 3hb9 n ASP 600 Ca -0.02 -1.47 -0.32 0.00 0.71 0.00 0.00 54.79 53.68 3hb9 n ASP 600 Cb 0.13 -0.02 0.09 0.00 -0.02 0.00 0.00 41.12 41.29 3hb9 n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hb9 s GLY 601 N -0.83 1.87 -0.02 0.44 0.00 -1.00 -4.80 107.32 102.98 3hb9 s GLY 601 Ca 0.12 0.45 -0.24 0.00 0.00 0.00 0.00 44.72 45.06 3hb9 s GLY 601 CO 0.12 0.82 1.18 -2.75 0.00 0.00 0.00 173.10 172.47 3hb9 h PHE 602 N -0.84 0.24 -3.03 1.90 3.57 -1.31 -3.42 116.94 114.04 3hb9 h PHE 602 Ca -0.45 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 60.96 3hb9 h PHE 602 Cb 1.25 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.85 3hb9 h PHE 602 CO 0.55 0.76 0.20 -1.54 -2.23 0.00 0.00 178.31 176.05 3hb9 s SER 603 N -6.09 -0.45 -0.30 0.41 1.04 -1.22 -3.79 113.70 103.30 3hb9 s SER 603 Ca -0.15 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3hb9 s SER 603 Cb 0.02 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.85 3hb9 s SER 603 CO 0.73 -1.09 -0.01 -0.76 0.98 0.00 0.00 173.24 173.09 3hb9 s LEU 604 N -2.81 4.02 -0.08 2.42 1.43 0.29 -2.72 118.68 121.23 3hb9 s LEU 604 Ca 0.05 -1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 51.31 3hb9 s LEU 604 Cb -0.02 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3hb9 s LEU 604 CO -0.06 -0.28 1.48 -0.70 0.23 0.00 0.00 176.35 177.02 3hb9 s GLU 605 N 1.13 4.22 0.00 1.70 2.12 -0.16 -1.99 118.70 125.72 3hb9 s GLU 605 Ca -0.03 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.29 3hb9 s GLU 605 Cb -0.20 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.35 3hb9 s GLU 605 CO -0.04 -0.75 0.47 0.00 -0.54 0.00 0.00 175.26 174.40 3hb9 n MET 606 N 6.63 0.00 -3.93 4.30 0.00 -0.82 -3.55 117.12 119.75 3hb9 n MET 606 Ca 0.15 -0.40 -0.09 0.00 0.00 0.00 0.00 57.70 57.37 3hb9 n MET 606 Cb 0.44 -0.30 -0.04 0.00 0.00 0.00 0.00 33.22 33.31 3hb9 n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3hb9 s TRP 607 N 0.00 0.16 0.00 3.17 -0.00 -1.24 -4.80 118.94 116.23 3hb9 s TRP 607 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 56.10 55.55 3hb9 s TRP 607 Cb 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 33.47 33.83 3hb9 s TRP 607 CO 0.00 -1.05 0.00 0.41 -0.00 0.00 0.00 176.95 176.31 3hb9 n GLY 608 N -0.40 -2.01 7.00 5.86 0.00 -1.26 -2.51 105.19 111.87 3hb9 n GLY 608 Ca -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3hb9 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 609 N 0.00 2.42 0.28 -0.02 0.00 -1.24 -2.58 105.19 104.06 3hb9 n GLY 609 Ca 0.00 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.69 3hb9 n GLY 609 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hb9 n THR 610 N 0.00 0.00 -0.11 2.61 -2.24 -1.26 -4.40 114.28 108.88 3hb9 n THR 610 Ca 0.00 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3hb9 n THR 610 Cb 0.00 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3hb9 n THR 610 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hb9 h THR 611 N 1.40 1.16 -0.14 4.28 1.35 -1.87 0.10 112.91 119.19 3hb9 h THR 611 Ca 0.00 -0.47 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 3hb9 h THR 611 Cb 0.35 0.86 -0.06 0.00 -1.73 0.00 0.00 68.15 67.56 3hb9 h THR 611 CO 0.00 0.17 -0.27 0.15 -0.25 0.00 0.00 175.52 175.32 3hb9 h PHE 612 N 0.40 -0.72 -0.14 4.73 3.57 -1.77 0.26 116.94 123.27 3hb9 h PHE 612 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3hb9 h PHE 612 Cb 0.12 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3hb9 h PHE 612 CO -0.02 -0.35 0.04 0.22 -2.23 0.00 0.00 178.31 175.98 3hb9 h ASP 613 N -0.33 0.20 -0.33 0.41 1.82 -1.82 -3.01 116.42 113.35 3hb9 h ASP 613 Ca 0.10 -0.21 -0.06 0.00 -0.39 0.00 0.00 57.03 56.48 3hb9 h ASP 613 Cb 0.49 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 3hb9 h ASP 613 CO -0.33 0.36 -0.02 0.58 -1.61 0.00 0.00 179.24 178.22 3hb9 h VAL 614 N 0.04 1.27 -0.23 2.25 2.07 -0.60 -1.38 116.25 119.66 3hb9 h VAL 614 Ca 0.04 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3hb9 h VAL 614 Cb 0.23 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3hb9 h VAL 614 CO -0.00 0.33 -0.23 0.00 0.02 0.00 0.00 177.57 177.69 3hb9 h ALA 615 N 0.84 -0.12 -0.43 1.67 0.00 -0.55 -0.02 119.26 120.65 3hb9 h ALA 615 Ca 0.09 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hb9 h ALA 615 Cb 0.49 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3hb9 h ALA 615 CO 0.02 -0.66 0.08 1.88 0.00 0.00 0.00 179.25 180.57 3hb9 h TYR 616 N -0.24 0.75 0.00 0.00 0.99 -1.43 0.87 116.97 117.92 3hb9 h TYR 616 Ca 0.13 -0.10 -0.16 0.00 2.00 0.00 0.00 58.73 60.60 3hb9 h TYR 616 Cb 0.45 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 3hb9 h TYR 616 CO -0.38 0.72 -0.96 -0.97 -0.00 0.00 0.00 178.16 176.56 3hb9 h ASN 617 N 0.57 0.00 0.00 3.88 -0.00 -0.98 -3.24 115.58 115.81 3hb9 h ASN 617 Ca 0.13 -0.47 -0.19 0.00 -0.00 0.00 0.00 56.30 55.77 3hb9 h ASN 617 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.66 3hb9 h ASN 617 CO 0.01 1.29 -1.04 -0.26 -0.00 0.00 0.00 177.43 177.43 3hb9 h PHE 618 N -1.00 0.00 0.00 0.67 -1.00 -1.20 -3.38 116.94 111.03 3hb9 h PHE 618 Ca -0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.53 3hb9 h PHE 618 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 3hb9 h PHE 618 CO 0.07 1.34 -0.06 -0.07 -1.61 0.00 0.00 178.31 177.98 3hb9 h LEU 619 N -1.00 0.00 -1.90 1.54 3.38 -1.48 -3.48 115.31 112.37 3hb9 h LEU 619 Ca -0.28 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.19 3hb9 h LEU 619 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3hb9 h LEU 619 CO -0.17 0.01 -0.87 0.29 0.09 0.00 0.00 178.44 177.79 3hb9 n LYS 620 N -2.29 -3.72 -4.04 1.13 4.01 -0.10 -4.90 118.16 108.26 3hb9 n LYS 620 Ca 0.05 0.47 -0.11 0.00 -0.51 0.00 0.00 58.31 58.21 3hb9 n LYS 620 Cb 0.44 -4.71 -0.11 0.00 -0.51 0.00 0.00 35.03 30.14 3hb9 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hb9 s GLU 621 N -6.37 0.47 -0.35 1.97 -1.05 0.11 -4.63 118.70 108.85 3hb9 s GLU 621 Ca 0.01 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.79 3hb9 s GLU 621 Cb -0.00 -0.14 0.02 0.00 -0.44 0.00 0.00 34.13 33.56 3hb9 s GLU 621 CO 0.87 0.01 1.15 1.21 0.95 0.00 0.00 175.26 179.45 3hb9 s ASN 622 N -1.65 6.79 0.55 0.83 3.04 -1.26 -3.00 114.94 120.24 3hb9 s ASN 622 Ca -0.11 0.96 0.33 0.00 0.04 0.00 0.00 52.86 54.08 3hb9 s ASN 622 Cb -0.09 -2.54 1.54 0.00 -1.54 0.00 0.00 41.25 38.62 3hb9 s ASN 622 CO -0.01 -1.02 2.07 1.55 -3.04 0.00 0.00 177.10 176.65 3hb9 h PRO 623 N 8.68 0.00 -0.16 0.43 0.13 -1.90 -1.85 132.00 137.34 3hb9 h PRO 623 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 3hb9 h PRO 623 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3hb9 h PRO 623 CO 1.05 0.07 -0.40 -1.49 -0.23 0.00 0.00 178.00 177.01 3hb9 h TRP 624 N 0.00 0.41 -0.23 1.56 4.06 -1.98 -2.06 115.95 117.71 3hb9 h TRP 624 Ca -0.00 -0.11 -0.17 0.00 2.06 0.00 0.00 58.89 60.66 3hb9 h TRP 624 Cb 0.39 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.45 3hb9 h TRP 624 CO 0.00 0.70 -0.55 0.93 -3.56 0.00 0.00 178.44 175.96 3hb9 h GLU 625 N 0.30 0.70 -0.00 0.49 5.08 -1.75 0.13 114.58 119.52 3hb9 h GLU 625 Ca 0.03 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3hb9 h GLU 625 Cb 0.83 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3hb9 h GLU 625 CO 0.07 1.06 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.88 3hb9 h ARG 626 N 0.54 -0.27 -0.30 2.33 2.43 -1.38 0.16 114.38 117.89 3hb9 h ARG 626 Ca 0.01 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3hb9 h ARG 626 Cb 1.12 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3hb9 h ARG 626 CO 0.11 -0.18 0.04 1.25 -1.51 0.00 0.00 179.97 179.69 3hb9 h LEU 627 N -0.28 -0.02 -0.45 3.80 5.85 -1.22 -0.85 115.31 122.14 3hb9 h LEU 627 Ca 0.06 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 3hb9 h LEU 627 Cb 0.35 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hb9 h LEU 627 CO -0.17 0.02 -0.51 -0.33 -0.34 0.00 0.00 178.44 177.12 3hb9 h GLU 628 N 0.15 0.71 -0.04 1.25 5.08 -0.74 -1.12 114.58 119.86 3hb9 h GLU 628 Ca 0.14 -0.43 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 3hb9 h GLU 628 Cb 0.16 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3hb9 h GLU 628 CO -0.20 1.05 -0.76 0.00 -1.00 0.00 0.00 179.01 178.10 3hb9 h ARG 629 N 0.56 0.29 -0.06 2.33 3.08 -0.56 -2.81 114.38 117.19 3hb9 h ARG 629 Ca 0.02 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 3hb9 h ARG 629 Cb 1.08 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3hb9 h ARG 629 CO 0.11 0.92 -0.61 -0.07 -1.07 0.00 0.00 179.97 179.25 3hb9 h LEU 630 N 0.19 0.25 0.26 3.04 3.38 -1.12 -2.97 115.31 118.34 3hb9 h LEU 630 Ca -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hb9 h LEU 630 Cb 1.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3hb9 h LEU 630 CO 0.12 0.80 -0.22 -0.09 0.09 0.00 0.00 178.44 179.14 3hb9 h ARG 631 N 0.17 -0.48 -0.20 1.13 1.12 -1.05 0.58 114.38 115.65 3hb9 h ARG 631 Ca -0.01 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 58.94 3hb9 h ARG 631 Cb 1.11 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 31.13 3hb9 h ARG 631 CO 0.09 -0.32 -0.08 0.87 -3.11 0.00 0.00 179.97 177.43 3hb9 h LYS 632 N -0.50 -0.04 0.00 0.20 1.57 -1.57 -2.97 116.57 113.27 3hb9 h LYS 632 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3hb9 h LYS 632 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3hb9 h LYS 632 CO -0.03 -0.03 -0.44 0.00 -0.57 0.00 0.00 179.45 178.39 3hb9 h ALA 633 N 1.15 1.18 -2.73 3.86 0.00 -1.35 -3.32 119.26 118.06 3hb9 h ALA 633 Ca 0.11 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 54.01 3hb9 h ALA 633 Cb 0.20 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.51 3hb9 h ALA 633 CO -0.23 0.55 -0.68 -0.89 0.00 0.00 0.00 179.25 177.99 3hb9 n ILE 634 N -3.88 1.11 1.63 0.00 5.41 0.18 -4.47 119.36 119.33 3hb9 n ILE 634 Ca -0.01 -4.62 0.15 0.00 1.00 0.00 0.00 62.75 59.27 3hb9 n ILE 634 Cb 0.48 -2.06 0.75 0.00 -0.71 0.00 0.00 39.64 38.10 3hb9 n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hb9 n PRO 635 N 1.89 0.85 -0.05 0.38 -0.04 -1.17 -4.24 135.00 132.61 3hb9 n PRO 635 Ca 0.24 -0.18 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 3hb9 n PRO 635 Cb 0.40 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 3hb9 n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hb9 n ASN 636 N -0.92 0.75 -4.71 3.54 6.94 -1.26 -4.67 115.26 114.93 3hb9 n ASN 636 Ca 0.18 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.42 3hb9 n ASN 636 Cb 0.22 1.41 -0.08 0.00 -2.36 0.00 0.00 39.78 38.96 3hb9 n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hb9 s VAL 637 N -2.87 4.29 0.28 3.53 1.01 -1.26 -1.52 120.40 123.86 3hb9 s VAL 637 Ca -0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3hb9 s VAL 637 Cb 0.09 -2.94 -0.12 0.00 0.00 0.00 0.00 36.38 33.41 3hb9 s VAL 637 CO 0.74 0.35 1.61 0.18 0.00 0.00 0.00 175.10 177.99 3hb9 n LEU 638 N 1.29 4.27 -4.75 3.92 4.77 -1.25 -4.54 117.00 120.72 3hb9 n LEU 638 Ca -0.14 1.13 -0.38 0.00 -0.03 0.00 0.00 56.01 56.60 3hb9 n LEU 638 Cb 0.53 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 3hb9 n LEU 638 CO 0.35 0.14 0.12 -0.36 -1.33 0.00 0.00 177.39 176.32 3hb9 s PHE 639 N 0.17 3.55 0.06 -1.77 0.40 -1.26 -0.55 117.98 118.58 3hb9 s PHE 639 Ca 0.66 0.86 0.09 0.00 -0.60 0.00 0.00 56.93 57.94 3hb9 s PHE 639 Cb -0.50 -2.46 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 3hb9 s PHE 639 CO 0.46 0.28 -0.25 -1.14 0.70 0.00 0.00 175.22 175.28 3hb9 s GLN 640 N 0.22 1.79 0.11 0.44 0.74 -0.84 -0.47 119.66 121.64 3hb9 s GLN 640 Ca 0.24 -1.13 0.03 0.00 0.05 0.00 0.00 55.36 54.55 3hb9 s GLN 640 Cb -0.15 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 3hb9 s GLN 640 CO 0.10 0.51 -0.08 0.00 -0.55 0.00 0.00 175.29 175.26 3hb9 s MET 641 N -1.44 0.88 -0.07 1.67 0.23 -0.25 -1.94 119.30 118.38 3hb9 s MET 641 Ca 0.13 -1.33 -0.19 0.00 -1.03 0.00 0.00 55.69 53.27 3hb9 s MET 641 Cb -0.10 -0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 32.80 3hb9 s MET 641 CO 0.04 0.02 0.52 -1.17 -2.03 0.00 0.00 175.02 172.40 3hb9 s LEU 642 N -2.96 4.33 -0.15 0.18 2.96 -1.05 -1.35 118.68 120.65 3hb9 s LEU 642 Ca 0.12 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3hb9 s LEU 642 Cb 0.03 -2.78 0.04 0.00 0.50 0.00 0.00 46.19 43.98 3hb9 s LEU 642 CO -0.03 0.04 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.81 3hb9 s LEU 643 N 0.28 1.31 0.16 -0.68 2.96 -0.21 -3.59 118.68 118.90 3hb9 s LEU 643 Ca 0.28 -0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 3hb9 s LEU 643 Cb -0.16 -0.75 -0.07 0.00 0.50 0.00 0.00 46.19 45.71 3hb9 s LEU 643 CO 0.13 -0.21 1.13 -0.60 -1.32 0.00 0.00 176.35 175.47 3hb9 s ARG 644 N 1.75 4.55 0.25 1.98 3.52 -0.31 -2.20 118.95 128.49 3hb9 s ARG 644 Ca 0.01 1.74 -0.04 0.00 -0.13 0.00 0.00 55.73 57.32 3hb9 s ARG 644 Cb -0.15 -3.28 0.29 0.00 -1.56 0.00 0.00 34.95 30.24 3hb9 s ARG 644 CO -0.07 -0.00 1.79 0.00 -0.81 0.00 0.00 175.30 176.21 3hb9 h ALA 645 N 5.40 1.12 -0.08 6.12 0.00 -0.98 0.17 119.26 131.01 3hb9 h ALA 645 Ca -0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 3hb9 h ALA 645 Cb 1.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hb9 h ALA 645 CO 0.74 0.60 -0.09 0.66 0.00 0.00 0.00 179.25 181.16 3hb9 h SER 646 N 0.93 0.21 0.00 0.00 4.64 -1.82 -3.41 113.55 114.10 3hb9 h SER 646 Ca 0.20 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hb9 h SER 646 Cb 0.30 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hb9 h SER 646 CO -0.00 0.67 -0.24 -0.46 -0.87 0.00 0.00 176.83 175.92 3hb9 n ASN 647 N -4.68 0.63 0.00 4.97 2.04 -1.21 -4.41 115.26 112.60 3hb9 n ASN 647 Ca -0.07 -1.97 0.00 0.00 -0.44 0.00 0.00 54.58 52.09 3hb9 n ASN 647 Cb 0.32 -0.18 0.00 0.00 -2.53 0.00 0.00 39.78 37.39 3hb9 n ASN 647 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hb9 n ALA 648 N -0.32 0.00 -1.08 -2.53 0.00 0.61 -1.17 120.51 116.01 3hb9 n ALA 648 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hb9 n ALA 648 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3hb9 n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hb9 n VAL 649 N 0.00 0.00 -0.50 0.00 3.14 -1.26 -1.17 118.33 118.54 3hb9 n VAL 649 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hb9 n VAL 649 Cb 0.00 1.51 0.00 0.00 -1.06 0.00 0.00 33.84 34.29 3hb9 n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hb9 n GLY 650 N 0.00 0.65 0.00 7.55 0.00 -0.32 -4.72 105.19 108.34 3hb9 n GLY 650 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3hb9 n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hb9 n TYR 651 N 0.00 0.00 -1.55 1.61 0.18 -1.26 -5.01 117.16 111.13 3hb9 n TYR 651 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3hb9 n TYR 651 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3hb9 n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3hb9 n LYS 652 N -0.22 0.40 -4.13 -3.48 2.85 -1.26 -5.14 118.16 107.18 3hb9 n LYS 652 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 3hb9 n LYS 652 Cb 0.07 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.38 3hb9 n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3hb9 s ASN 653 N 1.00 5.43 0.05 -5.58 0.01 -1.26 -4.58 114.94 110.01 3hb9 s ASN 653 Ca 0.00 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.20 3hb9 s ASN 653 Cb 0.00 -1.47 -0.03 0.00 0.41 0.00 0.00 41.25 40.17 3hb9 s ASN 653 CO 0.00 0.23 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.42 3hb9 s TYR 654 N -1.24 0.80 1.05 2.20 1.51 -1.26 -5.09 117.35 115.31 3hb9 s TYR 654 Ca 0.24 -0.54 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 3hb9 s TYR 654 Cb -0.12 -0.47 0.22 0.00 -0.11 0.00 0.00 41.96 41.48 3hb9 s TYR 654 CO 0.16 -0.06 1.07 -1.25 -1.11 0.00 0.00 175.55 174.36 3hb9 s PRO 655 N -1.85 0.03 0.19 -1.71 0.04 -1.26 -4.62 135.00 125.82 3hb9 s PRO 655 Ca -0.06 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 3hb9 s PRO 655 Cb -0.08 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.91 3hb9 s PRO 655 CO 0.00 -3.06 1.81 -0.44 0.04 0.00 0.00 177.00 175.35 3hb9 h ASP 656 N -2.14 0.87 0.19 6.66 3.45 -1.89 -2.64 116.42 120.92 3hb9 h ASP 656 Ca -0.56 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 56.79 3hb9 h ASP 656 Cb 1.32 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3hb9 h ASP 656 CO 0.53 0.72 -0.04 -0.55 -1.57 0.00 0.00 179.24 178.32 3hb9 h ASN 657 N 0.95 0.00 -0.21 6.45 -1.07 -1.96 -1.21 115.58 118.53 3hb9 h ASN 657 Ca 0.24 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.47 3hb9 h ASN 657 Cb 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 3hb9 h ASN 657 CO -0.04 0.04 -0.42 0.58 0.07 0.00 0.00 177.43 177.67 3hb9 h VAL 658 N 0.00 1.32 -0.31 6.14 2.07 -1.83 -0.74 116.25 122.90 3hb9 h VAL 658 Ca -0.00 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 3hb9 h VAL 658 Cb 0.15 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3hb9 h VAL 658 CO 0.01 0.51 0.13 0.40 0.02 0.00 0.00 177.57 178.64 3hb9 h ILE 659 N 0.34 1.18 -0.43 4.57 1.08 -1.34 -2.56 117.51 120.34 3hb9 h ILE 659 Ca 0.01 -0.54 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3hb9 h ILE 659 Cb 1.02 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3hb9 h ILE 659 CO 0.09 0.19 0.26 0.45 -0.69 0.00 0.00 178.15 178.45 3hb9 h HIS 660 N 0.36 0.57 -0.94 1.37 3.86 -1.26 -2.33 115.15 116.78 3hb9 h HIS 660 Ca 0.10 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3hb9 h HIS 660 Cb 0.18 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 3hb9 h HIS 660 CO -0.01 0.41 0.60 -0.22 0.86 0.00 0.00 177.93 179.57 3hb9 h LYS 661 N 0.57 1.26 -0.53 2.45 3.64 -1.10 -1.50 116.57 121.36 3hb9 h LYS 661 Ca 0.15 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3hb9 h LYS 661 Cb 0.01 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3hb9 h LYS 661 CO -0.03 0.86 -0.13 0.35 -2.27 0.00 0.00 179.45 178.23 3hb9 h PHE 662 N 1.29 1.15 -0.23 1.91 3.57 -1.23 -2.03 116.94 121.36 3hb9 h PHE 662 Ca 0.34 -0.25 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 3hb9 h PHE 662 Cb -0.10 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 3hb9 h PHE 662 CO 0.00 1.07 -0.46 0.28 -2.23 0.00 0.00 178.31 176.97 3hb9 h VAL 663 N 0.89 1.31 -0.15 1.41 2.07 -1.21 -0.62 116.25 119.94 3hb9 h VAL 663 Ca 0.13 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3hb9 h VAL 663 Cb 0.70 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3hb9 h VAL 663 CO 0.05 0.52 0.10 1.56 0.02 0.00 0.00 177.57 179.83 3hb9 h GLN 664 N 0.48 0.20 -0.35 1.57 4.20 -1.18 -2.46 115.11 117.57 3hb9 h GLN 664 Ca 0.03 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3hb9 h GLN 664 Cb 0.99 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3hb9 h GLN 664 CO 0.09 0.13 -0.30 0.93 -0.67 0.00 0.00 178.83 179.01 3hb9 h GLU 665 N 0.20 0.82 -0.65 1.46 4.39 -1.26 -2.71 114.58 116.84 3hb9 h GLU 665 Ca 0.06 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 3hb9 h GLU 665 Cb -0.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3hb9 h GLU 665 CO -0.01 1.05 0.24 0.77 -1.16 0.00 0.00 179.01 179.89 3hb9 h SER 666 N 0.61 0.88 -0.18 1.42 0.02 -1.10 -1.28 113.55 113.93 3hb9 h SER 666 Ca 0.06 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 3hb9 h SER 666 Cb 0.88 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3hb9 h SER 666 CO 0.08 0.80 -0.19 0.00 -1.14 0.00 0.00 176.83 176.39 3hb9 h ALA 667 N 1.32 0.26 -0.63 3.77 0.00 -1.41 -1.10 119.26 121.47 3hb9 h ALA 667 Ca 0.22 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hb9 h ALA 667 Cb 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3hb9 h ALA 667 CO -0.02 0.18 0.27 0.87 0.00 0.00 0.00 179.25 180.55 3hb9 h LYS 668 N 0.10 0.45 0.00 0.00 1.57 -1.38 -2.51 116.57 114.80 3hb9 h LYS 668 Ca 0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hb9 h LYS 668 Cb 0.73 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3hb9 h LYS 668 CO 0.05 0.30 -0.00 0.00 -0.57 0.00 0.00 179.45 179.22 3hb9 h ALA 669 N 1.41 1.00 0.00 3.86 0.00 -1.04 -3.46 119.26 121.04 3hb9 h ALA 669 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hb9 h ALA 669 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hb9 h ALA 669 CO -0.29 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.38 3hb9 n GLY 670 N -0.03 -0.29 3.73 0.00 0.00 -0.90 -4.47 105.19 103.23 3hb9 n GLY 670 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hb9 n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb9 s ILE 671 N -0.71 3.79 -0.05 -0.61 -1.09 -0.47 -4.50 121.20 117.56 3hb9 s ILE 671 Ca 0.00 1.40 0.02 0.00 -2.23 0.00 0.00 60.65 59.84 3hb9 s ILE 671 Cb 0.00 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 3hb9 s ILE 671 CO 0.00 0.18 -0.02 0.47 -1.23 0.00 0.00 174.94 174.34 3hb9 n ASP 672 N 3.12 3.72 -4.11 3.58 10.43 0.31 -4.33 116.55 129.28 3hb9 n ASP 672 Ca 0.06 -0.02 -0.32 0.00 2.57 0.00 0.00 54.79 57.08 3hb9 n ASP 672 Cb 0.45 0.27 -0.16 0.00 1.84 0.00 0.00 41.12 43.52 3hb9 n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hb9 s VAL 673 N -2.11 1.97 -0.32 2.53 1.01 0.38 -0.58 120.40 123.27 3hb9 s VAL 673 Ca -0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3hb9 s VAL 673 Cb 0.02 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3hb9 s VAL 673 CO 0.16 0.53 0.11 -0.36 0.00 0.00 0.00 175.10 175.54 3hb9 s PHE 674 N 1.26 3.20 -0.59 5.22 0.08 0.68 -1.10 117.98 126.74 3hb9 s PHE 674 Ca 0.03 -1.06 -0.26 0.00 0.12 0.00 0.00 56.93 55.76 3hb9 s PHE 674 Cb -0.13 -2.30 0.04 0.00 -0.57 0.00 0.00 43.02 40.06 3hb9 s PHE 674 CO -0.11 -0.62 1.06 0.50 -0.10 0.00 0.00 175.22 175.95 3hb9 s ARG 675 N 1.49 3.35 -0.31 0.44 3.52 -0.45 -0.97 118.95 126.01 3hb9 s ARG 675 Ca 0.01 -0.15 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 3hb9 s ARG 675 Cb -0.18 -4.07 -0.02 0.00 -1.56 0.00 0.00 34.95 29.12 3hb9 s ARG 675 CO 0.04 -1.65 0.44 0.42 -0.81 0.00 0.00 175.30 173.74 3hb9 s ILE 676 N 4.47 5.10 0.17 4.11 1.01 0.22 -1.05 121.20 135.24 3hb9 s ILE 676 Ca 0.34 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.49 3hb9 s ILE 676 Cb -0.11 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3hb9 s ILE 676 CO 0.20 -0.04 -0.16 0.72 0.00 0.00 0.00 174.94 175.66 3hb9 s PHE 677 N 2.21 1.72 -0.04 3.97 -0.71 -0.93 -1.90 117.98 122.29 3hb9 s PHE 677 Ca 0.16 -0.52 0.06 0.00 -1.04 0.00 0.00 56.93 55.59 3hb9 s PHE 677 Cb -0.16 -0.84 -0.01 0.00 -1.21 0.00 0.00 43.02 40.80 3hb9 s PHE 677 CO 0.11 0.31 -0.22 0.34 -1.34 0.00 0.00 175.22 174.43 3hb9 s ASP 678 N -2.86 2.63 0.00 1.98 -1.08 -1.26 -0.37 116.67 115.71 3hb9 s ASP 678 Ca 0.17 -0.43 0.13 0.00 -0.52 0.00 0.00 52.55 51.90 3hb9 s ASP 678 Cb -0.04 -0.64 0.69 0.00 -1.46 0.00 0.00 42.92 41.47 3hb9 s ASP 678 CO 0.06 0.22 1.35 -1.54 0.52 0.00 0.00 175.17 175.77 3hb9 n SER 679 N 2.94 0.00 -0.27 -0.34 3.41 -1.26 -1.79 113.62 116.30 3hb9 n SER 679 Ca -0.17 0.07 0.03 0.00 -0.26 0.00 0.00 58.87 58.53 3hb9 n SER 679 Cb 0.52 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.24 3hb9 n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hb9 n LEU 680 N -1.27 0.83 -2.33 1.04 4.77 -1.26 -4.33 117.00 114.45 3hb9 n LEU 680 Ca 0.07 -1.53 -0.17 0.00 -0.03 0.00 0.00 56.01 54.35 3hb9 n LEU 680 Cb 0.10 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3hb9 n LEU 680 CO 0.10 0.36 -0.21 0.59 -1.33 0.00 0.00 177.39 176.90 3hb9 n ASN 681 N -0.45 -4.94 -4.51 -1.43 3.02 -0.74 -4.42 115.26 101.78 3hb9 n ASN 681 Ca 0.05 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 3hb9 n ASN 681 Cb 0.62 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.57 3hb9 n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hb9 s TRP 682 N -2.81 2.87 0.30 3.10 -0.00 -1.26 -4.93 118.94 116.21 3hb9 s TRP 682 Ca 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.10 56.03 3hb9 s TRP 682 Cb 0.00 -3.92 0.47 0.00 -0.00 0.00 0.00 33.47 30.02 3hb9 s TRP 682 CO 0.00 -1.24 1.96 0.28 -0.00 0.00 0.00 176.95 177.96 3hb9 h VAL 683 N 5.99 1.18 -0.88 5.86 2.07 -1.96 -2.43 116.25 126.09 3hb9 h VAL 683 Ca -0.26 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 67.07 3hb9 h VAL 683 Cb 1.08 -0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3hb9 h VAL 683 CO 1.05 0.20 0.58 0.44 0.02 0.00 0.00 177.57 179.85 3hb9 h ASP 684 N 1.09 0.46 0.04 0.57 3.45 -2.01 -0.07 116.42 119.95 3hb9 h ASP 684 Ca 0.32 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.82 3hb9 h ASP 684 Cb -0.07 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3hb9 h ASP 684 CO -0.08 0.20 -0.01 1.67 -1.57 0.00 0.00 179.24 179.46 3hb9 n GLN 685 N -4.52 1.08 0.00 3.56 7.27 -0.91 -3.28 117.38 120.57 3hb9 n GLN 685 Ca 0.18 -0.19 0.10 0.00 0.07 0.00 0.00 57.00 57.16 3hb9 n GLN 685 Cb 0.62 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.73 3hb9 n GLN 685 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3hb9 n MET 686 N -0.80 1.09 -0.08 3.69 2.81 -0.04 -4.22 117.12 119.58 3hb9 n MET 686 Ca 0.22 -0.63 -0.12 0.00 -1.81 0.00 0.00 57.70 55.37 3hb9 n MET 686 Cb 0.17 -1.42 -0.05 0.00 -0.71 0.00 0.00 33.22 31.21 3hb9 n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hb9 h LYS 687 N 1.50 0.44 -0.33 0.03 1.79 -1.61 -2.41 116.57 115.98 3hb9 h LYS 687 Ca 0.00 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 3hb9 h LYS 687 Cb 0.62 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3hb9 h LYS 687 CO 0.00 0.67 0.13 0.28 -1.08 0.00 0.00 179.45 179.45 3hb9 h VAL 688 N 0.17 1.18 -0.51 0.50 2.07 -1.83 0.17 116.25 118.01 3hb9 h VAL 688 Ca 0.06 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3hb9 h VAL 688 Cb 0.51 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3hb9 h VAL 688 CO 0.02 0.20 0.28 0.00 0.02 0.00 0.00 177.57 178.09 3hb9 h ALA 689 N 0.98 0.66 -0.05 1.67 0.00 -1.83 -2.03 119.26 118.66 3hb9 h ALA 689 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hb9 h ALA 689 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hb9 h ALA 689 CO -0.01 0.18 -0.08 -0.97 0.00 0.00 0.00 179.25 178.37 3hb9 h ASN 690 N 0.69 -0.25 -0.91 0.00 -1.24 -0.95 -1.39 115.58 111.52 3hb9 h ASN 690 Ca 0.18 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 3hb9 h ASN 690 Cb 0.05 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 3hb9 h ASN 690 CO -0.03 -0.12 0.51 -0.33 -1.29 0.00 0.00 177.43 176.17 3hb9 h GLU 691 N -0.12 1.27 -0.53 6.67 5.08 -0.90 -0.80 114.58 125.26 3hb9 h GLU 691 Ca 0.05 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hb9 h GLU 691 Cb 0.19 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3hb9 h GLU 691 CO -0.12 0.92 0.35 0.00 -1.00 0.00 0.00 179.01 179.16 3hb9 h ALA 692 N 1.28 0.67 -0.48 3.43 0.00 -1.07 -1.84 119.26 121.25 3hb9 h ALA 692 Ca 0.32 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3hb9 h ALA 692 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hb9 h ALA 692 CO -0.05 0.11 -0.15 0.28 0.00 0.00 0.00 179.25 179.44 3hb9 h VAL 693 N 0.72 1.27 -0.38 0.00 2.07 -0.79 -2.34 116.25 116.79 3hb9 h VAL 693 Ca 0.20 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.46 3hb9 h VAL 693 Cb -0.08 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3hb9 h VAL 693 CO -0.04 0.45 0.13 1.56 0.02 0.00 0.00 177.57 179.68 3hb9 h GLN 694 N 0.80 0.27 -0.74 1.57 1.08 -1.00 -1.99 115.11 115.10 3hb9 h GLN 694 Ca 0.12 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3hb9 h GLN 694 Cb 0.72 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 3hb9 h GLN 694 CO 0.05 0.18 0.47 1.49 -0.95 0.00 0.00 178.83 180.08 3hb9 h GLU 695 N 0.28 0.98 0.00 1.46 4.81 -1.18 -1.84 114.58 119.09 3hb9 h GLU 695 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hb9 h GLU 695 Cb 0.16 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3hb9 h GLU 695 CO -0.18 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.76 3hb9 n ALA 696 N -2.42 2.05 -1.67 2.92 0.00 -0.77 -4.87 120.51 115.74 3hb9 n ALA 696 Ca 0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3hb9 n ALA 696 Cb 0.04 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 3hb9 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 697 N 0.37 0.79 3.29 0.00 0.00 -0.69 -5.01 105.19 103.94 3hb9 n GLY 697 Ca 0.10 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3hb9 n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hb9 n LYS 698 N -2.47 0.80 -3.20 1.61 4.76 -1.06 -4.58 118.16 114.00 3hb9 n LYS 698 Ca -0.13 -2.99 -0.40 0.00 -2.87 0.00 0.00 58.31 51.92 3hb9 n LYS 698 Cb 0.48 0.35 -0.07 0.00 -1.84 0.00 0.00 35.03 33.95 3hb9 n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hb9 s ILE 699 N -2.38 5.06 -0.37 -0.18 1.01 0.25 -4.61 121.20 119.98 3hb9 s ILE 699 Ca 0.25 0.99 -0.09 0.00 0.00 0.00 0.00 60.65 61.80 3hb9 s ILE 699 Cb -0.02 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.62 3hb9 s ILE 699 CO 0.16 0.11 0.18 -0.55 0.00 0.00 0.00 174.94 174.84 3hb9 s SER 700 N 1.36 5.58 -0.42 3.58 0.15 -1.26 -0.23 113.70 122.46 3hb9 s SER 700 Ca 0.24 -1.11 -0.18 0.00 0.70 0.00 0.00 55.95 55.60 3hb9 s SER 700 Cb -0.16 -1.96 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 3hb9 s SER 700 CO 0.09 -0.38 0.49 -1.61 1.20 0.00 0.00 173.24 173.03 3hb9 s GLU 701 N 1.48 3.20 -0.30 5.44 2.02 -0.15 -1.13 118.70 129.27 3hb9 s GLU 701 Ca 0.01 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 3hb9 s GLU 701 Cb -0.20 -3.95 0.01 0.00 0.10 0.00 0.00 34.13 30.10 3hb9 s GLU 701 CO 0.05 -0.86 1.07 0.20 0.02 0.00 0.00 175.26 175.74 3hb9 s GLY 702 N 1.85 1.59 -0.15 -1.39 0.00 -0.22 -0.61 107.32 108.39 3hb9 s GLY 702 Ca 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 3hb9 s GLY 702 CO 0.15 2.26 0.10 -1.59 0.00 0.00 0.00 173.10 174.02 3hb9 s THR 703 N 3.55 5.13 -0.31 0.90 2.01 -0.80 -1.09 115.64 125.04 3hb9 s THR 703 Ca 0.45 0.08 -0.07 0.00 0.31 0.00 0.00 61.69 62.46 3hb9 s THR 703 Cb -0.13 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.12 3hb9 s THR 703 CO 0.13 0.53 0.10 -0.63 -0.69 0.00 0.00 174.62 174.07 3hb9 s ILE 704 N -0.31 4.05 0.32 1.82 1.01 0.57 -4.66 121.20 123.99 3hb9 s ILE 704 Ca 0.10 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 3hb9 s ILE 704 Cb -0.12 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 3hb9 s ILE 704 CO 0.01 0.01 1.03 0.00 0.00 0.00 0.00 174.94 176.00 3hb9 s TYR 706 N -1.41 3.24 0.30 0.00 5.04 -0.78 -4.91 117.35 118.83 3hb9 s TYR 706 Ca 0.50 0.07 0.05 0.00 -2.44 0.00 0.00 57.07 55.25 3hb9 s TYR 706 Cb -0.25 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 39.99 3hb9 s TYR 706 CO 0.32 0.20 0.26 0.95 -1.34 0.00 0.00 175.55 175.94 3hb9 s THR 707 N 0.17 0.00 0.00 4.34 -4.23 -1.26 -4.54 115.64 110.12 3hb9 s THR 707 Ca 0.04 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3hb9 s THR 707 Cb -0.12 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3hb9 s THR 707 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3hb9 n GLY 708 N -0.55 0.63 2.95 3.99 0.00 -1.26 -4.76 105.19 106.18 3hb9 n GLY 708 Ca 0.06 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 3hb9 n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hb9 s ASP 709 N -4.00 0.08 0.62 1.61 3.68 -1.26 -4.90 116.67 112.49 3hb9 s ASP 709 Ca 0.00 -0.16 0.41 0.00 2.13 0.00 0.00 52.55 54.92 3hb9 s ASP 709 Cb 0.00 1.25 2.11 0.00 -1.45 0.00 0.00 42.92 44.83 3hb9 s ASP 709 CO 0.00 -0.34 2.24 0.16 0.13 0.00 0.00 175.17 177.36 3hb9 h ILE 710 N 6.14 0.00 -0.05 4.11 3.07 -1.86 -1.27 117.51 127.65 3hb9 h ILE 710 Ca -0.10 -0.12 -0.15 0.00 1.55 0.00 0.00 64.86 66.04 3hb9 h ILE 710 Cb 1.13 1.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 3hb9 h ILE 710 CO 0.25 0.00 -0.65 -0.07 -1.05 0.00 0.00 178.15 176.64 3hb9 h LEU 711 N 0.00 0.22 -8.43 0.16 3.38 -1.95 -3.42 115.31 105.27 3hb9 h LEU 711 Ca 0.00 -0.14 -0.73 0.00 0.09 0.00 0.00 57.88 57.11 3hb9 h LEU 711 Cb 0.12 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 40.59 3hb9 h LEU 711 CO 0.00 0.81 -0.38 0.21 0.09 0.00 0.00 178.44 179.17 3hb9 s ASN 712 N -6.89 6.13 0.00 -0.43 3.84 -0.48 -4.93 114.94 112.17 3hb9 s ASN 712 Ca -0.03 -1.04 0.27 0.00 0.21 0.00 0.00 52.86 52.27 3hb9 s ASN 712 Cb 0.12 -2.17 1.38 0.00 -0.55 0.00 0.00 41.25 40.03 3hb9 s ASN 712 CO 0.80 -0.53 1.93 -0.81 -2.79 0.00 0.00 177.10 175.70 3hb9 n PRO 713 N 5.20 0.40 -0.07 0.43 -0.04 -1.26 -2.54 135.00 137.12 3hb9 n PRO 713 Ca -0.11 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 3hb9 n PRO 713 Cb 0.46 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.64 3hb9 n PRO 713 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3hb9 n GLU 714 N -1.28 2.23 -0.05 0.54 4.07 -1.26 -4.40 120.64 120.49 3hb9 n GLU 714 Ca 0.13 -1.82 -0.15 0.00 -0.06 0.00 0.00 57.16 55.26 3hb9 n GLU 714 Cb 0.21 -1.47 -0.14 0.00 -0.06 0.00 0.00 31.44 29.98 3hb9 n GLU 714 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3hb9 n ARG 715 N 1.12 0.69 -3.66 5.31 3.00 -1.05 -4.95 116.66 117.12 3hb9 n ARG 715 Ca 0.17 0.20 -0.09 0.00 -0.00 0.00 0.00 57.85 58.12 3hb9 n ARG 715 Cb 0.54 -1.65 -0.09 0.00 0.00 0.00 0.00 32.46 31.26 3hb9 n ARG 715 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3hb9 s SER 716 N -6.41 -0.74 0.00 6.15 0.15 -1.26 -4.95 113.70 106.64 3hb9 s SER 716 Ca -0.19 1.24 0.12 0.00 0.70 0.00 0.00 55.95 57.82 3hb9 s SER 716 Cb 0.07 1.14 0.55 0.00 -1.71 0.00 0.00 66.02 66.07 3hb9 s SER 716 CO 0.75 -0.22 1.38 -0.46 1.20 0.00 0.00 173.24 175.89 3hb9 n ASN 717 N 4.07 0.72 0.01 5.45 2.04 -1.26 -4.35 115.26 121.94 3hb9 n ASN 717 Ca -0.20 -1.77 -0.02 0.00 -0.44 0.00 0.00 54.58 52.15 3hb9 n ASN 717 Cb 0.57 -0.07 -0.01 0.00 -2.53 0.00 0.00 39.78 37.75 3hb9 n ASN 717 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3hb9 n ILE 717 N -0.21 0.66 -1.57 1.53 2.08 -1.26 -4.83 119.36 115.77 3hb9 n ILE 717 Ca 0.10 0.17 -0.30 0.00 0.56 0.00 0.00 62.75 63.28 3hb9 n ILE 717 Cb 0.15 -1.58 -0.05 0.00 -0.75 0.00 0.00 39.64 37.40 3hb9 n ILE 717 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3hb9 n TYR 718 N -3.32 1.74 -2.14 1.39 4.02 -1.26 -4.66 117.16 112.93 3hb9 n TYR 718 Ca -0.03 -2.22 -0.28 0.00 -0.01 0.00 0.00 57.90 55.36 3hb9 n TYR 718 Cb 0.30 -1.62 0.16 0.00 -0.02 0.00 0.00 39.34 38.16 3hb9 n TYR 718 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hb9 s THR 719 N -1.20 2.04 0.25 -0.72 -4.23 -1.26 -4.53 115.64 105.99 3hb9 s THR 719 Ca 0.59 -0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.87 3hb9 s THR 719 Cb 0.30 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.50 3hb9 s THR 719 CO -0.15 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.05 3hb9 h LEU 720 N -1.28 1.03 -0.81 4.79 5.85 -1.91 -2.78 115.31 120.20 3hb9 h LEU 720 Ca -0.42 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 3hb9 h LEU 720 Cb 1.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3hb9 h LEU 720 CO 0.39 0.85 -0.28 1.05 -0.34 0.00 0.00 178.44 180.10 3hb9 h GLU 721 N 1.15 0.00 -0.35 1.25 4.11 -1.94 -2.64 114.58 116.15 3hb9 h GLU 721 Ca 0.29 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.76 3hb9 h GLU 721 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3hb9 h GLU 721 CO -0.04 0.28 0.12 -0.92 0.07 0.00 0.00 179.01 178.52 3hb9 h TYR 722 N 0.00 0.22 -0.01 2.06 3.20 -1.76 -1.11 116.97 119.56 3hb9 h TYR 722 Ca -0.00 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 3hb9 h TYR 722 Cb 0.91 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3hb9 h TYR 722 CO 0.00 0.09 -0.62 1.88 -1.64 0.00 0.00 178.16 177.87 3hb9 h TYR 723 N 0.27 0.04 0.03 -3.82 -1.99 -1.50 -1.73 116.97 108.27 3hb9 h TYR 723 Ca 0.16 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 3hb9 h TYR 723 Cb 0.14 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.86 3hb9 h TYR 723 CO -0.14 0.65 -0.01 0.28 -0.00 0.00 0.00 178.16 178.93 3hb9 h VAL 724 N 0.02 1.32 -0.85 -2.88 2.07 -1.29 0.97 116.25 115.62 3hb9 h VAL 724 Ca -0.01 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.44 3hb9 h VAL 724 Cb 1.11 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.90 3hb9 h VAL 724 CO 0.08 0.29 0.55 0.50 0.02 0.00 0.00 177.57 179.01 3hb9 h LYS 725 N -0.53 0.95 -0.48 1.57 3.11 -1.22 0.24 116.57 120.20 3hb9 h LYS 725 Ca -0.00 -0.06 -0.13 0.00 -2.81 0.00 0.00 60.65 57.65 3hb9 h LYS 725 Cb 0.50 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 3hb9 h LYS 725 CO 0.01 0.63 -0.21 1.25 -2.81 0.00 0.00 179.45 178.32 3hb9 h LEU 726 N 0.98 1.01 -0.05 5.20 5.85 -1.23 -0.79 115.31 126.29 3hb9 h LEU 726 Ca 0.36 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hb9 h LEU 726 Cb 0.16 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3hb9 h LEU 726 CO -0.12 1.18 0.02 0.00 -0.34 0.00 0.00 178.44 179.17 3hb9 h ALA 727 N 0.87 0.06 -0.65 1.25 0.00 -0.11 -1.90 119.26 118.78 3hb9 h ALA 727 Ca 0.11 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hb9 h ALA 727 Cb 0.79 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3hb9 h ALA 727 CO 0.07 -0.34 0.43 0.87 0.00 0.00 0.00 179.25 180.28 3hb9 h LYS 728 N -0.11 0.52 0.20 0.00 1.57 -0.47 -1.03 116.57 117.25 3hb9 h LYS 728 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3hb9 h LYS 728 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3hb9 h LYS 728 CO -0.00 0.34 -0.10 1.49 -0.57 0.00 0.00 179.45 180.61 3hb9 h GLU 729 N 0.53 -0.26 -0.08 3.15 4.81 -1.00 -2.62 114.58 119.12 3hb9 h GLU 729 Ca 0.30 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3hb9 h GLU 729 Cb 0.46 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3hb9 h GLU 729 CO -0.09 0.13 0.05 -0.07 -0.73 0.00 0.00 179.01 178.30 3hb9 h LEU 730 N -0.75 0.09 -0.38 1.64 3.38 -0.93 0.15 115.31 118.50 3hb9 h LEU 730 Ca -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3hb9 h LEU 730 Cb 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hb9 h LEU 730 CO 0.04 0.07 -0.05 -0.08 0.09 0.00 0.00 178.44 178.51 3hb9 h GLU 731 N 0.11 0.71 0.00 1.13 4.81 -1.24 -2.51 114.58 117.60 3hb9 h GLU 731 Ca 0.03 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3hb9 h GLU 731 Cb -0.01 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3hb9 h GLU 731 CO -0.01 0.84 -0.06 0.00 -0.73 0.00 0.00 179.01 179.05 3hb9 h ARG 732 N 0.52 0.00 0.00 1.92 3.08 -0.64 -1.55 114.38 117.71 3hb9 h ARG 732 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hb9 h ARG 732 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hb9 h ARG 732 CO 0.03 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.38 3hb9 n GLU 733 N -3.41 0.19 -0.38 0.04 -0.58 -0.26 -4.91 120.64 111.32 3hb9 n GLU 733 Ca -0.02 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3hb9 n GLU 733 Cb 0.20 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 3hb9 n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hb9 n GLY 734 N 0.74 0.78 3.77 0.62 0.00 -0.58 -5.04 105.19 105.48 3hb9 n GLY 734 Ca 0.04 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3hb9 n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hb9 s PHE 735 N -2.00 2.82 0.16 1.61 0.40 -1.17 -4.93 117.98 114.86 3hb9 s PHE 735 Ca 0.00 1.24 0.05 0.00 -0.60 0.00 0.00 56.93 57.62 3hb9 s PHE 735 Cb 0.00 -3.87 -0.05 0.00 0.51 0.00 0.00 43.02 39.61 3hb9 s PHE 735 CO 0.00 -2.53 1.36 0.45 0.70 0.00 0.00 175.22 175.20 3hb9 h HIS 736 N 3.43 0.12 -3.44 0.36 3.86 -1.49 -3.46 115.15 114.53 3hb9 h HIS 736 Ca -0.49 -0.07 -0.25 0.00 -1.16 0.00 0.00 60.37 58.39 3hb9 h HIS 736 Cb 1.23 -0.01 -0.31 0.00 1.06 0.00 0.00 27.41 29.38 3hb9 h HIS 736 CO 0.55 0.94 -0.66 0.42 0.86 0.00 0.00 177.93 180.05 3hb9 s ILE 737 N -3.01 -0.04 -0.15 2.45 1.01 -1.21 -4.53 121.20 115.72 3hb9 s ILE 737 Ca -0.01 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 3hb9 s ILE 737 Cb 0.10 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.40 3hb9 s ILE 737 CO 0.82 0.06 0.62 -0.22 0.00 0.00 0.00 174.94 176.21 3hb9 s LEU 738 N 0.80 4.21 -0.08 2.97 2.96 -0.61 -1.06 118.68 127.87 3hb9 s LEU 738 Ca -0.06 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3hb9 s LEU 738 Cb -0.09 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 3hb9 s LEU 738 CO -0.03 -0.18 -0.17 0.00 -1.32 0.00 0.00 176.35 174.65 3hb9 s ALA 739 N 1.39 2.52 -0.29 5.97 0.00 -0.25 0.39 121.76 131.49 3hb9 s ALA 739 Ca 0.30 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 3hb9 s ALA 739 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3hb9 s ALA 739 CO 0.12 0.42 0.13 0.42 0.00 0.00 0.00 175.76 176.85 3hb9 s ILE 740 N -0.23 4.54 -0.52 0.00 1.01 -0.37 -0.32 121.20 125.31 3hb9 s ILE 740 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 3hb9 s ILE 740 Cb -0.13 -3.24 0.13 0.00 0.01 0.00 0.00 42.46 39.23 3hb9 s ILE 740 CO 0.03 0.17 0.41 -0.75 0.00 0.00 0.00 174.94 174.80 3hb9 s LYS 741 N 1.62 2.65 -1.10 2.79 2.20 -0.64 -0.52 119.74 126.73 3hb9 s LYS 741 Ca 0.05 -1.85 -0.16 0.00 -0.36 0.00 0.00 55.97 53.65 3hb9 s LYS 741 Cb -0.16 -4.01 0.15 0.00 -1.51 0.00 0.00 37.83 32.29 3hb9 s LYS 741 CO 0.06 -1.22 1.33 0.34 -0.36 0.00 0.00 175.35 175.49 3hb9 s ASP 742 N 2.67 6.89 0.29 1.43 2.15 0.88 -1.86 116.67 129.12 3hb9 s ASP 742 Ca 0.07 -2.60 0.10 0.00 0.43 0.00 0.00 52.55 50.55 3hb9 s ASP 742 Cb -0.25 -2.41 0.42 0.00 -0.30 0.00 0.00 42.92 40.38 3hb9 s ASP 742 CO -0.01 -0.89 1.65 0.00 -0.17 0.00 0.00 175.17 175.75 3hb9 h MET 743 N 7.84 0.05 -0.45 4.34 -0.00 -1.83 -2.75 114.93 122.12 3hb9 h MET 743 Ca 0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 3hb9 h MET 743 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.54 3hb9 h MET 743 CO 1.20 0.59 0.00 0.00 -0.00 0.00 0.00 176.91 178.70 3hb9 n ALA 744 N -2.44 2.36 -3.31 -3.00 0.00 -1.26 -1.66 120.51 111.20 3hb9 n ALA 744 Ca -0.01 -1.08 -0.17 0.00 0.00 0.00 0.00 53.44 52.17 3hb9 n ALA 744 Cb 0.57 -0.75 0.07 0.00 0.00 0.00 0.00 19.45 19.34 3hb9 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 745 N 1.27 -0.28 0.44 0.00 0.00 -1.04 -4.85 105.19 100.73 3hb9 n GLY 745 Ca 0.18 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3hb9 n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb9 n LEU 746 N -3.95 1.87 -4.56 0.99 4.77 -1.26 -4.63 117.00 110.23 3hb9 n LEU 746 Ca -0.13 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 3hb9 n LEU 746 Cb 0.60 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 3hb9 n LEU 746 CO 0.53 0.35 1.61 -0.22 -1.33 0.00 0.00 177.39 178.33 3hb9 s LEU 747 N -2.52 3.72 0.61 2.23 2.96 -1.26 -4.91 118.68 119.51 3hb9 s LEU 747 Ca 0.18 -1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 52.08 3hb9 s LEU 747 Cb 0.18 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3hb9 s LEU 747 CO 0.59 -1.36 0.98 0.29 -1.32 0.00 0.00 176.35 175.53 3hb9 n LYS 748 N 8.54 0.89 -0.17 1.98 5.02 -1.26 -4.58 118.16 128.58 3hb9 n LYS 748 Ca 0.38 0.35 -0.06 0.00 -2.02 0.00 0.00 58.31 56.96 3hb9 n LYS 748 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3hb9 n LYS 748 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hb9 h PRO 749 N 0.46 -0.17 -0.69 1.97 0.11 -1.88 0.12 132.00 131.92 3hb9 h PRO 749 Ca -0.49 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3hb9 h PRO 749 Cb 1.36 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 3hb9 h PRO 749 CO 0.51 -0.11 0.15 -0.22 -0.21 0.00 0.00 178.00 178.11 3hb9 h LYS 750 N -0.18 1.11 -0.87 1.05 3.11 -1.93 -1.77 116.57 117.10 3hb9 h LYS 750 Ca 0.22 -0.28 0.05 0.00 -2.81 0.00 0.00 60.65 57.83 3hb9 h LYS 750 Cb 0.53 -0.14 -0.06 0.00 -1.00 0.00 0.00 32.23 31.56 3hb9 h LYS 750 CO -0.62 0.99 0.55 0.00 -2.81 0.00 0.00 179.45 177.56 3hb9 h ALA 751 N 1.07 1.18 0.19 5.00 0.00 -1.55 0.60 119.26 125.74 3hb9 h ALA 751 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hb9 h ALA 751 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hb9 h ALA 751 CO 0.01 0.33 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 3hb9 h ALA 752 N 1.39 -0.30 -0.12 0.00 0.00 -0.27 0.27 119.26 120.23 3hb9 h ALA 752 Ca 0.37 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3hb9 h ALA 752 Cb 0.11 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3hb9 h ALA 752 CO -0.15 -0.68 -0.23 -0.92 0.00 0.00 0.00 179.25 177.27 3hb9 h TYR 753 N -0.32 -0.60 -0.58 0.00 3.20 -0.91 -1.19 116.97 116.57 3hb9 h TYR 753 Ca -0.02 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 3hb9 h TYR 753 Cb 0.27 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3hb9 h TYR 753 CO -0.09 -0.31 -0.01 1.49 -1.64 0.00 0.00 178.16 177.60 3hb9 h GLU 754 N -0.29 1.02 0.43 1.82 4.57 -0.77 -1.95 114.58 119.41 3hb9 h GLU 754 Ca 0.10 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 3hb9 h GLU 754 Cb 0.44 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3hb9 h GLU 754 CO -0.29 1.00 -0.21 1.25 -1.18 0.00 0.00 179.01 179.59 3hb9 h LEU 755 N 0.93 -0.49 -0.81 1.64 5.85 -0.20 -2.07 115.31 120.16 3hb9 h LEU 755 Ca 0.17 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3hb9 h LEU 755 Cb 0.55 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3hb9 h LEU 755 CO 0.03 -0.06 0.52 0.40 -0.34 0.00 0.00 178.44 178.99 3hb9 h ILE 756 N -1.10 1.14 -0.66 4.05 5.03 -1.33 -0.10 117.51 124.54 3hb9 h ILE 756 Ca -0.06 -0.35 0.12 0.00 -0.12 0.00 0.00 64.86 64.45 3hb9 h ILE 756 Cb 0.50 0.03 -0.09 0.00 -3.03 0.00 0.00 36.82 34.23 3hb9 h ILE 756 CO 0.10 0.19 0.20 1.23 -0.68 0.00 0.00 178.15 179.18 3hb9 h GLY 757 N 1.03 0.91 1.00 5.37 0.00 -1.41 -0.73 103.07 109.23 3hb9 h GLY 757 Ca 0.32 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 3hb9 h GLY 757 CO -0.10 -0.10 -0.37 0.83 0.00 0.00 0.00 176.54 176.80 3hb9 h GLU 758 N 0.34 0.72 0.00 4.80 4.39 -0.62 -3.24 114.58 120.98 3hb9 h GLU 758 Ca 0.35 -0.42 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3hb9 h GLU 758 Cb 0.51 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3hb9 h GLU 758 CO -0.39 1.04 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.10 3hb9 h LEU 759 N 0.46 0.00 -0.89 1.33 3.38 -0.60 -1.43 115.31 117.57 3hb9 h LEU 759 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hb9 h LEU 759 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3hb9 h LEU 759 CO 0.09 0.33 0.16 0.11 0.09 0.00 0.00 178.44 179.22 3hb9 h LYS 760 N 0.00 0.98 -0.17 1.13 1.79 -1.17 0.28 116.57 119.41 3hb9 h LYS 760 Ca -0.00 -0.21 -0.21 0.00 -2.18 0.00 0.00 60.65 58.04 3hb9 h LYS 760 Cb 0.61 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3hb9 h LYS 760 CO 0.04 0.87 -0.72 0.77 -1.08 0.00 0.00 179.45 179.33 3hb9 h SER 761 N 0.94 0.86 0.39 0.86 0.02 -1.52 -3.36 113.55 111.74 3hb9 h SER 761 Ca 0.20 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3hb9 h SER 761 Cb 0.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hb9 h SER 761 CO -0.00 1.33 -0.19 0.00 -1.14 0.00 0.00 176.83 176.83 3hb9 h ALA 762 N 0.66 -0.52 -1.66 3.77 0.00 -0.95 -3.46 119.26 117.09 3hb9 h ALA 762 Ca -0.03 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.13 3hb9 h ALA 762 Cb 1.33 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 3hb9 h ALA 762 CO 0.15 -0.70 -0.53 0.14 0.00 0.00 0.00 179.25 178.31 3hb9 s VAL 763 N -5.29 2.34 -1.61 0.00 -7.23 0.06 -4.92 120.40 103.75 3hb9 s VAL 763 Ca -0.15 -1.78 0.14 0.00 -1.81 0.00 0.00 61.98 58.38 3hb9 s VAL 763 Cb 0.03 -2.97 0.22 0.00 0.56 0.00 0.00 36.38 34.22 3hb9 s VAL 763 CO 0.58 -0.04 1.09 0.47 -0.31 0.00 0.00 175.10 176.90 3hb9 n ASP 765 N -1.15 2.56 -4.78 4.85 10.43 -1.26 -4.63 116.55 122.57 3hb9 n ASP 765 Ca -0.02 -1.74 -0.36 0.00 2.57 0.00 0.00 54.79 55.23 3hb9 n ASP 765 Cb 0.64 -0.11 -0.04 0.00 1.84 0.00 0.00 41.12 43.46 3hb9 n ASP 765 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hb9 s LEU 766 N -1.14 4.13 0.47 0.64 1.02 -1.26 -5.04 118.68 117.50 3hb9 s LEU 766 Ca 0.22 2.04 -0.24 0.00 0.02 0.00 0.00 54.13 56.17 3hb9 s LEU 766 Cb 0.13 -4.20 -0.07 0.00 0.02 0.00 0.00 46.19 42.07 3hb9 s LEU 766 CO 0.19 -0.51 1.28 -2.16 0.02 0.00 0.00 176.35 175.17 3hb9 s PRO 767 N -2.53 3.63 -0.20 1.29 0.04 -1.26 -4.80 135.00 131.17 3hb9 s PRO 767 Ca 0.58 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.59 3hb9 s PRO 767 Cb -0.22 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 3hb9 s PRO 767 CO 0.27 -0.74 0.12 0.42 0.04 0.00 0.00 177.00 177.11 3hb9 s ILE 768 N -1.36 5.35 -0.34 0.56 -1.09 -1.26 -1.58 121.20 121.47 3hb9 s ILE 768 Ca 0.64 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 3hb9 s ILE 768 Cb -0.36 -3.44 0.08 0.00 -1.58 0.00 0.00 42.46 37.16 3hb9 s ILE 768 CO 0.44 0.44 0.07 -2.28 -1.23 0.00 0.00 174.94 172.39 3hb9 s HIS 769 N 0.38 3.47 -0.13 3.97 2.46 0.16 -2.28 115.29 123.32 3hb9 s HIS 769 Ca 0.07 -2.30 -0.13 0.00 0.47 0.00 0.00 55.06 53.18 3hb9 s HIS 769 Cb -0.11 -2.64 -0.05 0.00 -0.13 0.00 0.00 32.58 29.65 3hb9 s HIS 769 CO -0.02 -0.90 0.28 -1.17 -2.47 0.00 0.00 174.74 170.46 3hb9 s LEU 770 N 1.14 4.29 -0.09 8.88 2.96 0.11 -1.24 118.68 134.73 3hb9 s LEU 770 Ca 0.02 0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3hb9 s LEU 770 Cb -0.21 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.17 3hb9 s LEU 770 CO -0.04 0.18 -0.07 -2.28 -1.32 0.00 0.00 176.35 172.83 3hb9 s HIS 771 N 0.03 1.27 0.28 5.38 5.65 0.32 -1.88 115.29 126.34 3hb9 s HIS 771 Ca 0.17 -0.57 0.02 0.00 0.25 0.00 0.00 55.06 54.93 3hb9 s HIS 771 Cb -0.13 -1.09 -0.05 0.00 -1.18 0.00 0.00 32.58 30.13 3hb9 s HIS 771 CO 0.05 -0.43 0.10 -0.08 -0.65 0.00 0.00 174.74 173.73 3hb9 s THR 772 N 1.56 0.62 0.13 0.89 -1.32 -1.26 -0.08 115.64 116.18 3hb9 s THR 772 Ca 0.01 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.57 3hb9 s THR 772 Cb -0.13 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 3hb9 s THR 772 CO -0.06 0.00 -0.09 -1.00 -2.21 0.00 0.00 174.62 171.26 3hb9 s HIS 773 N -3.65 2.70 -0.31 9.09 3.76 -1.21 -4.47 115.29 121.19 3hb9 s HIS 773 Ca 0.37 -0.18 0.11 0.00 -0.15 0.00 0.00 55.06 55.21 3hb9 s HIS 773 Cb 0.07 -1.38 0.75 0.00 1.11 0.00 0.00 32.58 33.14 3hb9 s HIS 773 CO 0.14 0.46 1.74 -3.47 -0.85 0.00 0.00 174.74 172.76 3hb9 n ASP 774 N 0.43 5.14 0.24 1.40 4.64 -0.00 -4.44 116.55 123.95 3hb9 n ASP 774 Ca -0.12 -3.04 0.07 0.00 -1.38 0.00 0.00 54.79 50.32 3hb9 n ASP 774 Cb 0.54 -0.71 0.61 0.00 -1.04 0.00 0.00 41.12 40.51 3hb9 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hb9 h THR 775 N 3.18 1.02 0.00 5.18 1.03 -1.00 0.22 112.91 122.54 3hb9 h THR 775 Ca 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.47 3hb9 h THR 775 Cb 2.12 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 70.19 3hb9 h THR 775 CO 0.61 0.02 -0.12 0.77 -0.01 0.00 0.00 175.52 176.79 3hb9 h SER 776 N 0.05 0.00 0.00 0.00 4.64 -1.81 -1.05 113.55 115.37 3hb9 h SER 776 Ca 0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hb9 h SER 776 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hb9 h SER 776 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3hb9 n GLY 777 N 1.13 0.57 0.53 -0.77 0.00 0.78 -4.51 105.19 102.93 3hb9 n GLY 777 Ca 0.04 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3hb9 n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hb9 n ASN 778 N 0.98 2.77 0.07 1.61 5.03 -1.26 -4.83 115.26 119.63 3hb9 n ASN 778 Ca 0.00 -3.25 -0.13 0.00 0.87 0.00 0.00 54.58 52.07 3hb9 n ASN 778 Cb 0.00 -0.50 -0.08 0.00 -1.02 0.00 0.00 39.78 38.17 3hb9 n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3hb9 h GLY 779 N 0.80 -0.20 0.72 7.41 0.00 -1.84 -1.67 103.07 108.30 3hb9 h GLY 779 Ca 0.03 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3hb9 h GLY 779 CO 0.12 -0.07 0.34 1.41 0.00 0.00 0.00 176.54 178.33 3hb9 h LEU 780 N -0.51 0.50 -0.52 3.11 3.38 -1.96 -0.10 115.31 119.22 3hb9 h LEU 780 Ca -0.02 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3hb9 h LEU 780 Cb 0.40 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3hb9 h LEU 780 CO 0.03 0.33 0.19 -0.07 0.09 0.00 0.00 178.44 179.02 3hb9 h LEU 781 N 0.63 0.20 -0.50 1.67 3.38 -1.91 0.31 115.31 119.10 3hb9 h LEU 781 Ca 0.27 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.35 3hb9 h LEU 781 Cb 0.15 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3hb9 h LEU 781 CO -0.16 0.14 0.23 0.74 0.09 0.00 0.00 178.44 179.48 3hb9 h THR 782 N 0.37 0.91 0.49 0.22 2.02 -0.31 0.59 112.91 117.22 3hb9 h THR 782 Ca 0.25 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3hb9 h THR 782 Cb 0.26 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3hb9 h THR 782 CO -0.25 0.08 -0.23 1.88 0.37 0.00 0.00 175.52 177.37 3hb9 h TYR 783 N 0.45 -0.61 -0.78 3.16 0.99 -0.44 0.74 116.97 120.48 3hb9 h TYR 783 Ca 0.23 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.09 3hb9 h TYR 783 Cb 0.17 0.20 -0.15 0.00 1.00 0.00 0.00 36.73 37.96 3hb9 h TYR 783 CO -0.12 -0.30 -0.23 -0.22 -0.00 0.00 0.00 178.16 177.29 3hb9 h LYS 784 N -0.85 -0.02 -0.57 4.88 3.11 -0.25 0.20 116.57 123.07 3hb9 h LYS 784 Ca -0.07 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 3hb9 h LYS 784 Cb 0.58 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.79 3hb9 h LYS 784 CO 0.11 -0.02 0.23 1.96 -2.81 0.00 0.00 179.45 178.93 3hb9 h GLN 785 N -0.02 0.85 -0.77 1.90 1.08 -0.66 -2.34 115.11 115.15 3hb9 h GLN 785 Ca 0.36 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3hb9 h GLN 785 Cb 0.58 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 3hb9 h GLN 785 CO -0.81 0.73 0.46 0.00 -0.95 0.00 0.00 178.83 178.26 3hb9 h ALA 786 N 1.08 0.98 -0.98 3.87 0.00 0.61 -2.57 119.26 122.25 3hb9 h ALA 786 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hb9 h ALA 786 Cb 0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3hb9 h ALA 786 CO -0.02 0.44 0.62 0.82 0.00 0.00 0.00 179.25 181.12 3hb9 h ILE 787 N 1.05 1.26 -0.62 0.00 2.04 -0.38 -0.91 117.51 119.96 3hb9 h ILE 787 Ca 0.28 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3hb9 h ILE 787 Cb -0.04 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 35.86 3hb9 h ILE 787 CO -0.05 0.26 0.38 0.44 0.00 0.00 0.00 178.15 179.18 3hb9 h ASP 788 N 1.34 0.73 0.85 1.72 3.32 -1.17 -2.02 116.42 121.18 3hb9 h ASP 788 Ca 0.35 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3hb9 h ASP 788 Cb -0.10 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.26 3hb9 h ASP 788 CO -0.07 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 3hb9 n ALA 789 N -2.44 2.27 -0.06 3.45 0.00 -0.44 -4.90 120.51 118.39 3hb9 n ALA 789 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hb9 n ALA 789 Cb 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3hb9 n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 790 N 1.26 1.84 3.76 0.00 0.00 -0.66 -4.36 105.19 107.03 3hb9 n GLY 790 Ca 0.08 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hb9 n GLY 790 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb9 s VAL 791 N -2.00 2.11 -0.19 1.61 0.11 -0.78 -4.91 120.40 116.34 3hb9 s VAL 791 Ca 0.00 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 3hb9 s VAL 791 Cb 0.00 -3.05 -0.20 0.00 -1.53 0.00 0.00 36.38 31.60 3hb9 s VAL 791 CO 0.00 0.00 0.15 0.47 -3.33 0.00 0.00 175.10 172.39 3hb9 n ASP 792 N -0.74 1.97 -4.05 3.54 8.00 -0.96 -4.84 116.55 119.47 3hb9 n ASP 792 Ca 0.09 0.29 -0.15 0.00 0.71 0.00 0.00 54.79 55.73 3hb9 n ASP 792 Cb 0.44 -0.87 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 3hb9 n ASP 792 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hb9 s ILE 793 N -2.46 0.59 0.03 0.53 1.01 -1.00 -2.37 121.20 117.51 3hb9 s ILE 793 Ca -0.29 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.52 3hb9 s ILE 793 Cb 0.08 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 3hb9 s ILE 793 CO 0.64 -0.21 -0.06 0.27 0.00 0.00 0.00 174.94 175.57 3hb9 s ILE 794 N -1.01 0.44 -0.15 2.92 -4.36 -1.01 -0.71 121.20 117.32 3hb9 s ILE 794 Ca -0.06 -0.77 -0.22 0.00 -0.26 0.00 0.00 60.65 59.34 3hb9 s ILE 794 Cb -0.08 -0.47 -0.03 0.00 1.25 0.00 0.00 42.46 43.13 3hb9 s ILE 794 CO 0.00 -0.24 0.66 -1.81 0.24 0.00 0.00 174.94 173.80 3hb9 s ASP 795 N -1.09 6.80 0.31 4.36 1.01 -0.79 -0.88 116.67 126.40 3hb9 s ASP 795 Ca -0.07 0.97 0.03 0.00 0.71 0.00 0.00 52.55 54.19 3hb9 s ASP 795 Cb -0.07 -2.37 -0.06 0.00 1.01 0.00 0.00 42.92 41.43 3hb9 s ASP 795 CO 0.00 -0.22 0.08 0.42 0.21 0.00 0.00 175.17 175.66 3hb9 s THR 796 N 1.51 0.90 0.09 -1.27 -4.23 0.10 -4.59 115.64 108.15 3hb9 s THR 796 Ca 0.32 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 3hb9 s THR 796 Cb -0.16 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 3hb9 s THR 796 CO 0.13 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 174.07 3hb9 s ALA 797 N -3.45 1.29 0.25 3.99 0.00 -1.01 -1.17 121.76 121.66 3hb9 s ALA 797 Ca 0.36 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.87 3hb9 s ALA 797 Cb 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 23.12 23.00 3hb9 s ALA 797 CO 0.15 0.11 1.50 0.28 0.00 0.00 0.00 175.76 177.80 3hb9 n VAL 798 N 0.89 0.82 -0.34 0.00 0.31 -1.26 -0.99 118.33 117.77 3hb9 n VAL 798 Ca -0.18 -0.21 0.15 0.00 -0.01 0.00 0.00 64.34 64.09 3hb9 n VAL 798 Cb 0.56 -1.66 0.30 0.00 -0.91 0.00 0.00 33.84 32.13 3hb9 n VAL 798 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hb9 h ALA 799 N 4.70 1.20 0.00 3.52 0.00 -1.93 0.41 119.26 127.16 3hb9 h ALA 799 Ca -0.45 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hb9 h ALA 799 Cb 1.25 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hb9 h ALA 799 CO 0.79 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 3hb9 n SER 800 N -5.47 0.00 -0.55 0.00 3.41 -1.26 -2.48 113.62 107.27 3hb9 n SER 800 Ca 0.24 0.02 0.06 0.00 -0.26 0.00 0.00 58.87 58.92 3hb9 n SER 800 Cb 0.77 -0.29 0.11 0.00 -0.26 0.00 0.00 64.21 64.54 3hb9 n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hb9 n MET 801 N -1.29 0.86 -4.61 4.33 2.00 0.14 -4.76 117.12 113.78 3hb9 n MET 801 Ca 0.09 -2.32 -0.31 0.00 0.00 0.00 0.00 57.70 55.16 3hb9 n MET 801 Cb 0.16 -1.05 -0.08 0.00 0.00 0.00 0.00 33.22 32.25 3hb9 n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hb9 s SER 802 N -2.41 4.12 0.00 7.83 1.04 -1.03 -4.72 113.70 118.53 3hb9 s SER 802 Ca 0.27 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.19 3hb9 s SER 802 Cb 0.26 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3hb9 s SER 802 CO -0.04 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3hb9 n GLY 803 N -1.22 -1.86 7.00 7.32 0.00 0.26 -4.82 105.19 111.87 3hb9 n GLY 803 Ca -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3hb9 n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb9 n LEU 804 N -2.21 0.00 0.00 0.99 4.77 -1.24 -1.18 117.00 118.13 3hb9 n LEU 804 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3hb9 n LEU 804 Cb 0.00 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.49 3hb9 n LEU 804 CO 0.00 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.10 3hb9 n THR 805 N 0.00 0.42 -1.41 -5.08 -2.24 -1.26 -0.45 114.28 104.26 3hb9 n THR 805 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3hb9 n THR 805 Cb 0.00 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 3hb9 n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hb9 n SER 806 N -1.21 0.00 -4.92 3.42 2.88 -0.32 -4.67 113.62 108.81 3hb9 n SER 806 Ca 0.08 -0.69 -0.27 0.00 -1.33 0.00 0.00 58.87 56.66 3hb9 n SER 806 Cb 0.10 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.59 3hb9 n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3hb9 s GLN 807 N -1.50 2.88 0.62 -1.46 -1.52 -1.26 -0.82 119.66 116.59 3hb9 s GLN 807 Ca 0.00 -0.02 -0.19 0.00 -1.95 0.00 0.00 55.36 53.21 3hb9 s GLN 807 Cb 0.00 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 3hb9 s GLN 807 CO 0.00 -0.73 1.16 -2.30 -0.25 0.00 0.00 175.29 173.17 3hb9 n PRO 808 N -2.60 1.09 -2.04 2.91 -0.02 -1.26 -0.57 135.00 132.51 3hb9 n PRO 808 Ca 0.05 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3hb9 n PRO 808 Cb 0.58 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3hb9 n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hb9 s SER 809 N -1.26 6.66 0.27 2.55 0.15 -1.26 -2.40 113.70 118.40 3hb9 s SER 809 Ca 0.78 2.15 -0.04 0.00 0.70 0.00 0.00 55.95 59.54 3hb9 s SER 809 Cb -0.40 -2.53 0.34 0.00 -1.71 0.00 0.00 66.02 61.71 3hb9 s SER 809 CO 0.44 -0.95 1.94 0.00 1.20 0.00 0.00 173.24 175.88 3hb9 h ALA 810 N 9.58 1.34 -0.51 5.45 0.00 -1.40 -1.72 119.26 131.98 3hb9 h ALA 810 Ca -0.38 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3hb9 h ALA 810 Cb 1.17 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3hb9 h ALA 810 CO 0.96 0.61 0.31 -0.91 0.00 0.00 0.00 179.25 180.22 3hb9 h ASN 811 N 1.27 0.50 -0.48 0.00 2.35 -1.91 -0.55 115.58 116.76 3hb9 h ASN 811 Ca 0.35 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.04 3hb9 h ASN 811 Cb -0.13 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3hb9 h ASN 811 CO -0.08 0.35 0.03 0.28 -1.65 0.00 0.00 177.43 176.36 3hb9 h SER 812 N 0.61 0.80 -0.42 5.81 0.02 -1.86 -3.19 113.55 115.32 3hb9 h SER 812 Ca 0.21 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3hb9 h SER 812 Cb 0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3hb9 h SER 812 CO -0.09 0.89 -0.03 0.25 -1.14 0.00 0.00 176.83 176.70 3hb9 h LEU 813 N 0.69 0.77 -0.71 5.07 5.85 -0.97 -0.47 115.31 125.52 3hb9 h LEU 813 Ca 0.14 -0.33 0.16 0.00 0.84 0.00 0.00 57.88 58.69 3hb9 h LEU 813 Cb 0.46 -0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.16 3hb9 h LEU 813 CO 0.02 0.91 -0.01 0.22 -0.34 0.00 0.00 178.44 179.24 3hb9 h TYR 814 N 0.60 -0.08 0.00 1.25 3.20 -1.09 -0.50 116.97 120.35 3hb9 h TYR 814 Ca 0.12 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 3hb9 h TYR 814 Cb 0.54 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3hb9 h TYR 814 CO 0.04 -0.23 -0.87 1.88 -1.64 0.00 0.00 178.16 177.34 3hb9 h TYR 815 N 0.10 0.00 -0.11 -3.82 -1.99 -1.57 -3.32 116.97 106.26 3hb9 h TYR 815 Ca 0.38 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 3hb9 h TYR 815 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 3hb9 h TYR 815 CO -0.42 0.63 0.05 0.00 -0.00 0.00 0.00 178.16 178.42 3hb9 h ALA 816 N 1.37 1.89 -0.00 3.88 0.00 0.57 -2.35 119.26 124.61 3hb9 h ALA 816 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hb9 h ALA 816 Cb 1.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3hb9 h ALA 816 CO 0.07 0.09 -0.19 1.28 0.00 0.00 0.00 179.25 180.51 3hb9 n LEU 817 N -4.50 0.62 -4.67 0.00 4.77 -0.94 -4.88 117.00 107.40 3hb9 n LEU 817 Ca -0.01 -0.05 -0.50 0.00 -0.03 0.00 0.00 56.01 55.42 3hb9 n LEU 817 Cb 0.10 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3hb9 n LEU 817 CO 0.35 0.12 1.27 0.59 -1.33 0.00 0.00 177.39 178.39 3hb9 n ASN 818 N -0.95 2.84 0.00 -1.43 5.03 -0.89 -0.24 115.26 119.63 3hb9 n ASN 818 Ca 0.12 1.05 0.00 0.00 0.87 0.00 0.00 54.58 56.62 3hb9 n ASN 818 Cb 0.31 -1.31 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 3hb9 n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hb9 n GLY 819 N 3.75 1.04 3.84 7.41 0.00 -1.26 -5.06 105.19 114.91 3hb9 n GLY 819 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3hb9 n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hb9 s PHE 820 N -2.70 3.18 0.24 1.61 0.40 0.67 -5.05 117.98 116.34 3hb9 s PHE 820 Ca 0.00 -0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 3hb9 s PHE 820 Cb 0.00 -1.47 0.38 0.00 0.51 0.00 0.00 43.02 42.44 3hb9 s PHE 820 CO 0.00 0.51 1.82 -1.35 0.70 0.00 0.00 175.22 176.90 3hb9 h PRO 821 N 1.76 0.81 -5.41 0.24 0.11 -1.97 -3.43 132.00 124.10 3hb9 h PRO 821 Ca -0.49 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 64.94 3hb9 h PRO 821 Cb 1.22 -0.18 -0.16 0.00 0.11 0.00 0.00 31.00 31.99 3hb9 h PRO 821 CO 0.62 0.53 -0.58 1.03 -0.21 0.00 0.00 178.00 179.40 3hb9 s ARG 822 N -6.04 3.75 0.14 1.05 0.52 -1.26 -5.06 118.95 112.05 3hb9 s ARG 822 Ca -0.12 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 3hb9 s ARG 822 Cb 0.19 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 3hb9 s ARG 822 CO 0.78 0.37 0.28 -1.58 0.02 0.00 0.00 175.30 175.17 3hb9 s HIS 823 N 0.07 3.49 -0.29 -0.53 2.46 -1.26 -4.90 115.29 114.32 3hb9 s HIS 823 Ca 0.05 0.13 -0.24 0.00 0.47 0.00 0.00 55.06 55.46 3hb9 s HIS 823 Cb -0.12 -1.67 -0.00 0.00 -0.13 0.00 0.00 32.58 30.65 3hb9 s HIS 823 CO 0.01 0.52 0.81 -1.17 -2.47 0.00 0.00 174.74 172.45 3hb9 s LEU 824 N -3.18 4.07 -0.73 8.88 2.96 -1.26 -1.07 118.68 128.36 3hb9 s LEU 824 Ca 0.35 0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 54.78 3hb9 s LEU 824 Cb -0.11 -3.13 0.03 0.00 0.50 0.00 0.00 46.19 43.48 3hb9 s LEU 824 CO 0.28 -0.60 1.25 -0.60 -1.32 0.00 0.00 176.35 175.36 3hb9 s ARG 825 N 2.96 3.19 0.08 1.98 3.52 -0.57 -4.89 118.95 125.22 3hb9 s ARG 825 Ca 0.34 -0.28 -0.26 0.00 -0.13 0.00 0.00 55.73 55.40 3hb9 s ARG 825 Cb -0.14 -4.18 0.09 0.00 -1.56 0.00 0.00 34.95 29.16 3hb9 s ARG 825 CO 0.11 -2.10 1.17 -0.08 -0.81 0.00 0.00 175.30 173.59 3hb9 s THR 826 N 5.55 0.00 -0.35 4.11 -1.32 -1.26 -4.59 115.64 117.78 3hb9 s THR 826 Ca 0.34 -0.37 -0.04 0.00 -1.21 0.00 0.00 61.69 60.40 3hb9 s THR 826 Cb -0.09 -2.84 0.06 0.00 -1.51 0.00 0.00 72.50 68.13 3hb9 s THR 826 CO 0.15 0.00 0.11 -0.62 -2.21 0.00 0.00 174.62 172.05 3hb9 s ASP 827 N -3.55 5.20 0.02 8.08 3.68 -1.26 -5.00 116.67 123.84 3hb9 s ASP 827 Ca 0.25 -1.44 -0.22 0.00 2.13 0.00 0.00 52.55 53.26 3hb9 s ASP 827 Cb -0.01 -1.82 -0.16 0.00 -1.45 0.00 0.00 42.92 39.48 3hb9 s ASP 827 CO 0.02 -0.38 1.34 0.16 0.13 0.00 0.00 175.17 176.43 3hb9 h ILE 828 N 6.31 1.35 -0.76 4.11 -0.00 -1.97 -0.20 117.51 126.35 3hb9 h ILE 828 Ca -0.20 -1.22 0.17 0.00 -0.00 0.00 0.00 64.86 63.61 3hb9 h ILE 828 Cb 1.07 1.92 -0.13 0.00 -0.00 0.00 0.00 36.82 39.68 3hb9 h ILE 828 CO 0.62 0.35 -0.01 -0.33 -0.00 0.00 0.00 178.15 178.78 3hb9 h GLU 829 N -0.14 0.09 -0.76 0.16 5.08 -1.99 0.65 114.58 117.66 3hb9 h GLU 829 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3hb9 h GLU 829 Cb 0.60 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3hb9 h GLU 829 CO 0.02 0.06 0.39 0.78 -1.00 0.00 0.00 179.01 179.27 3hb9 h GLY 830 N 0.09 1.16 1.07 -3.84 0.00 -1.90 -1.64 103.07 98.01 3hb9 h GLY 830 Ca 0.41 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3hb9 h GLY 830 CO -0.68 0.53 -0.03 1.98 0.00 0.00 0.00 176.54 178.34 3hb9 h MET 831 N 1.07 1.03 -0.52 4.80 -1.53 0.16 -0.49 114.93 119.45 3hb9 h MET 831 Ca 0.27 -0.34 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 3hb9 h MET 831 Cb 0.08 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 3hb9 h MET 831 CO -0.04 1.03 0.23 0.93 0.14 0.00 0.00 176.91 179.21 3hb9 h GLU 832 N 0.92 0.76 -0.55 0.39 4.39 0.23 -0.17 114.58 120.56 3hb9 h GLU 832 Ca 0.16 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3hb9 h GLU 832 Cb 0.58 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3hb9 h GLU 832 CO 0.03 0.64 0.33 1.03 -1.16 0.00 0.00 179.01 179.89 3hb9 h SER 833 N 0.69 0.66 -0.64 1.42 0.87 -1.00 -1.58 113.55 113.97 3hb9 h SER 833 Ca 0.18 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3hb9 h SER 833 Cb 0.15 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3hb9 h SER 833 CO -0.02 0.52 0.18 -0.07 -0.53 0.00 0.00 176.83 176.91 3hb9 h LEU 834 N 0.74 0.96 -0.10 2.23 3.38 -0.82 -2.38 115.31 119.32 3hb9 h LEU 834 Ca 0.20 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hb9 h LEU 834 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3hb9 h LEU 834 CO -0.04 0.93 0.01 -1.28 0.09 0.00 0.00 178.44 178.15 3hb9 h SER 835 N 0.94 -0.02 -1.00 -0.43 0.87 -0.63 -0.84 113.55 112.44 3hb9 h SER 835 Ca 0.20 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.86 3hb9 h SER 835 Cb 0.33 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 3hb9 h SER 835 CO -0.00 0.00 0.64 0.45 -0.53 0.00 0.00 176.83 177.39 3hb9 h HIS 836 N 0.04 1.17 0.47 2.24 3.86 -1.18 0.29 115.15 122.04 3hb9 h HIS 836 Ca 0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3hb9 h HIS 836 Cb 0.05 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.13 3hb9 h HIS 836 CO -0.12 0.57 -0.24 -0.92 0.86 0.00 0.00 177.93 178.08 3hb9 h TYR 837 N 1.11 -0.62 0.00 2.45 3.20 -0.88 -2.98 116.97 119.25 3hb9 h TYR 837 Ca 0.45 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.28 3hb9 h TYR 837 Cb 0.27 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3hb9 h TYR 837 CO -0.00 -0.38 -0.15 -1.49 -1.64 0.00 0.00 178.16 174.50 3hb9 h TRP 838 N -0.65 0.00 -0.45 -3.82 4.06 -0.56 -2.05 115.95 112.47 3hb9 h TRP 838 Ca -0.06 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 3hb9 h TRP 838 Cb 0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 3hb9 h TRP 838 CO -0.06 0.15 -0.03 1.03 -3.56 0.00 0.00 178.44 175.97 3hb9 h SER 839 N 0.00 0.74 0.18 -3.49 0.87 -0.33 -0.00 113.55 111.51 3hb9 h SER 839 Ca -0.00 -0.19 -0.30 0.00 -1.23 0.00 0.00 61.79 60.07 3hb9 h SER 839 Cb 0.67 -0.20 0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3hb9 h SER 839 CO 0.02 0.82 -1.30 0.74 -0.53 0.00 0.00 176.83 176.59 3hb9 h THR 840 N 0.71 1.31 -0.17 2.23 2.02 -1.28 -3.35 112.91 114.38 3hb9 h THR 840 Ca 0.13 -2.56 -0.02 0.00 0.77 0.00 0.00 66.41 64.74 3hb9 h THR 840 Cb 0.48 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.78 3hb9 h THR 840 CO 0.02 0.77 0.04 0.58 0.37 0.00 0.00 175.52 177.30 3hb9 h VAL 841 N 0.15 1.21 -1.25 3.16 2.07 -1.29 -2.78 116.25 117.52 3hb9 h VAL 841 Ca -0.21 -0.67 0.39 0.00 0.82 0.00 0.00 66.70 67.02 3hb9 h VAL 841 Cb 1.99 1.33 -0.12 0.00 -1.52 0.00 0.00 31.29 32.98 3hb9 h VAL 841 CO 0.25 0.20 0.81 -0.09 0.02 0.00 0.00 177.57 178.76 3hb9 h ARG 842 N 0.08 0.16 -0.65 1.57 2.43 -1.14 0.54 114.38 117.37 3hb9 h ARG 842 Ca 0.05 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 3hb9 h ARG 842 Cb 0.28 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3hb9 h ARG 842 CO 0.00 0.10 0.43 1.15 -1.51 0.00 0.00 179.97 180.15 3hb9 h THR 843 N 0.16 0.86 0.00 0.20 2.02 -1.61 -0.22 112.91 114.32 3hb9 h THR 843 Ca 0.75 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.80 3hb9 h THR 843 Cb 2.30 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3hb9 h THR 843 CO -0.36 0.07 0.00 1.88 0.37 0.00 0.00 175.52 177.48 3hb9 h TYR 844 N 0.40 0.00 -0.20 3.16 0.99 -0.02 -3.11 116.97 118.19 3hb9 h TYR 844 Ca 0.31 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.99 3hb9 h TYR 844 Cb 0.65 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.36 3hb9 h TYR 844 CO -0.00 0.00 -0.05 0.66 -0.00 0.00 0.00 178.16 178.77 3hb9 n TYR 845 N -2.63 0.66 0.27 4.88 4.02 -0.10 -4.74 117.16 119.52 3hb9 n TYR 845 Ca -0.00 -1.13 0.11 0.00 -0.01 0.00 0.00 57.90 56.87 3hb9 n TYR 845 Cb 0.16 -0.31 0.72 0.00 -0.02 0.00 0.00 39.34 39.89 3hb9 n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hb9 h SER 846 N 1.08 0.00 0.20 7.72 4.64 -1.58 0.23 113.55 125.85 3hb9 h SER 846 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3hb9 h SER 846 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3hb9 h SER 846 CO 0.19 0.06 -0.04 0.44 -0.87 0.00 0.00 176.83 176.61 3hb9 h ASP 847 N 0.00 0.00 -0.43 4.97 3.32 -1.89 -2.69 116.42 119.70 3hb9 h ASP 847 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hb9 h ASP 847 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hb9 h ASP 847 CO 0.01 0.04 0.00 0.49 -1.72 0.00 0.00 179.24 178.05 3hb9 n PHE 848 N -3.49 0.79 -1.97 4.55 3.01 0.07 -4.96 117.46 115.46 3hb9 n PHE 848 Ca -0.02 -0.59 -0.42 0.00 1.01 0.00 0.00 57.45 57.43 3hb9 n PHE 848 Cb 0.14 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 3hb9 n PHE 848 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hb9 s GLU 849 N -1.48 4.23 0.84 -1.08 0.41 -1.02 -3.82 118.70 116.79 3hb9 s GLU 849 Ca 0.35 2.33 -0.12 0.00 -0.41 0.00 0.00 54.97 57.12 3hb9 s GLU 849 Cb 0.21 -3.15 0.10 0.00 -1.78 0.00 0.00 34.13 29.51 3hb9 s GLU 849 CO 0.18 -0.56 1.16 0.45 -0.49 0.00 0.00 175.26 176.01 3hb9 s SER 852 N 0.99 3.46 0.00 -0.19 0.15 -1.14 -4.95 113.70 112.02 3hb9 s SER 852 Ca 0.67 2.22 0.28 0.00 0.70 0.00 0.00 55.95 59.82 3hb9 s SER 852 Cb -0.43 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.30 3hb9 s SER 852 CO 0.34 -2.75 1.72 -0.90 1.20 0.00 0.00 173.24 172.84 3hb9 n ASP 853 N -3.69 0.69 -4.65 5.45 3.85 -1.26 -4.82 116.55 112.11 3hb9 n ASP 853 Ca 0.12 -0.65 -0.43 0.00 -0.71 0.00 0.00 54.79 53.12 3hb9 n ASP 853 Cb 0.51 0.02 -0.02 0.00 -1.35 0.00 0.00 41.12 40.28 3hb9 n ASP 853 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3hb9 s ILE 854 N -2.53 4.20 -0.02 2.12 1.01 -1.26 -4.87 121.20 119.85 3hb9 s ILE 854 Ca 0.25 1.44 0.03 0.00 0.00 0.00 0.00 60.65 62.37 3hb9 s ILE 854 Cb 0.20 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.73 3hb9 s ILE 854 CO 0.51 -0.19 0.85 2.29 0.00 0.00 0.00 174.94 178.40 3hb9 n LYS 855 N 6.78 0.62 -3.49 2.79 2.85 -1.26 -4.99 118.16 121.46 3hb9 n LYS 855 Ca 0.14 -1.14 -0.14 0.00 -1.05 0.00 0.00 58.31 56.12 3hb9 n LYS 855 Cb 0.45 -0.72 -0.04 0.00 -0.65 0.00 0.00 35.03 34.07 3hb9 n LYS 855 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3hb9 s SER 856 N -0.94 -0.57 0.26 -5.58 1.04 -1.26 -5.14 113.70 101.51 3hb9 s SER 856 Ca 0.05 0.37 -0.30 0.00 0.48 0.00 0.00 55.95 56.55 3hb9 s SER 856 Cb 0.04 0.52 -0.10 0.00 0.10 0.00 0.00 66.02 66.58 3hb9 s SER 856 CO 0.00 -0.70 1.42 -2.84 0.98 0.00 0.00 173.24 172.10 3hb9 s PRO 857 N -2.22 4.28 -0.22 4.02 0.02 -1.26 -5.02 135.00 134.60 3hb9 s PRO 857 Ca -0.04 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.26 3hb9 s PRO 857 Cb -0.00 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.44 3hb9 s PRO 857 CO -0.00 -0.39 -0.13 1.21 -0.33 0.00 0.00 177.00 177.36 3hb9 s ASN 858 N 0.25 3.83 0.00 2.53 3.04 -0.40 -4.98 114.94 119.22 3hb9 s ASN 858 Ca 0.58 -0.88 0.26 0.00 0.04 0.00 0.00 52.86 52.86 3hb9 s ASN 858 Cb -0.41 -1.56 0.71 0.00 -1.54 0.00 0.00 41.25 38.44 3hb9 s ASN 858 CO 0.44 -0.08 1.55 0.35 -3.04 0.00 0.00 177.10 176.32 3hb9 n THR 859 N 4.60 0.00 0.41 -5.21 -2.24 -1.26 -3.93 114.28 106.65 3hb9 n THR 859 Ca -0.18 -0.31 0.11 0.00 -2.27 0.00 0.00 64.05 61.40 3hb9 n THR 859 Cb 0.47 0.83 0.47 0.00 -2.10 0.00 0.00 70.33 70.00 3hb9 n THR 859 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hb9 n GLU 860 N 0.42 0.18 0.04 -0.78 1.02 -1.26 -2.44 120.64 117.83 3hb9 n GLU 860 Ca 0.16 0.40 0.20 0.00 -0.02 0.00 0.00 57.16 57.91 3hb9 n GLU 860 Cb 0.43 -1.84 0.73 0.00 -0.02 0.00 0.00 31.44 30.74 3hb9 n GLU 860 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3hb9 h ILE 861 N 0.00 0.59 0.00 -3.67 3.07 -1.95 -0.40 117.51 115.15 3hb9 h ILE 861 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3hb9 h ILE 861 Cb 0.36 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 3hb9 h ILE 861 CO 0.00 0.00 0.00 1.88 -1.05 0.00 0.00 178.15 178.98 3hb9 h TYR 862 N 0.00 0.00 0.00 0.16 0.99 -1.80 0.45 116.97 116.77 3hb9 h TYR 862 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 3hb9 h TYR 862 Cb 1.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.73 3hb9 h TYR 862 CO 0.00 0.00 -0.74 1.04 -0.00 0.00 0.00 178.16 178.46 3hb9 n GLN 863 N -2.63 0.45 0.10 4.88 1.13 -0.19 -4.75 117.38 116.36 3hb9 n GLN 863 Ca 0.01 0.29 -0.03 0.00 -1.94 0.00 0.00 57.00 55.33 3hb9 n GLN 863 Cb 0.22 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.16 3hb9 n GLN 863 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 3hb9 h HIS 864 N -0.89 0.00 -1.50 1.08 2.07 -1.53 -3.46 115.15 110.93 3hb9 h HIS 864 Ca 0.00 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.20 3hb9 h HIS 864 Cb 0.74 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.65 3hb9 h HIS 864 CO -0.32 0.77 -0.35 0.39 -3.07 0.00 0.00 177.93 175.36 3hb9 n GLU 865 N -3.40 -1.17 -2.05 5.12 1.02 0.15 -4.57 120.64 115.73 3hb9 n GLU 865 Ca 0.00 0.91 -0.42 0.00 -0.02 0.00 0.00 57.16 57.62 3hb9 n GLU 865 Cb 0.81 -5.18 -0.03 0.00 -0.02 0.00 0.00 31.44 27.03 3hb9 n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3hb9 s MET 866 N -4.07 4.19 1.00 3.49 -1.94 -1.26 -4.86 119.30 115.86 3hb9 s MET 866 Ca 0.00 2.14 -0.16 0.00 -1.71 0.00 0.00 55.69 55.96 3hb9 s MET 866 Cb 0.00 -3.96 0.20 0.00 2.01 0.00 0.00 34.83 33.09 3hb9 s MET 866 CO 0.00 -0.83 1.22 -1.25 -0.01 0.00 0.00 175.02 174.15 3hb9 s PRO 867 N 3.95 0.35 0.00 2.03 0.04 -1.26 -4.74 135.00 135.37 3hb9 s PRO 867 Ca 0.71 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.61 3hb9 s PRO 867 Cb -0.32 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3hb9 s PRO 867 CO 0.28 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 175.08 3hb9 n GLY 868 N -2.69 0.00 0.34 0.56 0.00 -0.66 -2.64 105.19 100.10 3hb9 n GLY 868 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3hb9 n GLY 868 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hb9 h GLY 869 N 0.00 -0.86 0.00 -0.02 0.00 -1.91 -3.42 103.07 96.86 3hb9 h GLY 869 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hb9 h GLY 869 CO 0.00 -0.31 0.00 -1.06 0.00 0.00 0.00 176.54 175.17 3hb9 n GLN 870 N -5.02 0.00 -0.53 4.80 6.02 -1.08 -2.24 117.38 119.33 3hb9 n GLN 870 Ca -0.10 0.00 0.44 0.00 -0.01 0.00 0.00 57.00 57.33 3hb9 n GLN 870 Cb 0.33 0.00 0.76 0.00 1.02 0.00 0.00 30.24 32.35 3hb9 n GLN 870 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3hb9 h TYR 871 N 0.00 0.11 0.01 1.08 3.20 -1.81 0.70 116.97 120.26 3hb9 h TYR 871 Ca 0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 3hb9 h TYR 871 Cb 0.00 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3hb9 h TYR 871 CO 0.00 -0.03 -1.05 0.66 -1.64 0.00 0.00 178.16 176.10 3hb9 h SER 872 N 0.03 0.02 -0.71 -2.11 4.64 -1.81 -3.20 113.55 110.41 3hb9 h SER 872 Ca 0.79 -0.62 0.14 0.00 -0.47 0.00 0.00 61.79 61.63 3hb9 h SER 872 Cb 3.03 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 65.02 3hb9 h SER 872 CO -0.09 1.41 0.23 0.78 -0.87 0.00 0.00 176.83 178.29 3hb9 h ASN 873 N -0.96 0.15 0.50 4.97 2.35 -0.91 0.82 115.58 122.50 3hb9 h ASN 873 Ca -0.29 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3hb9 h ASN 873 Cb 1.28 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.77 3hb9 h ASN 873 CO -0.16 0.05 0.00 -0.11 -1.65 0.00 0.00 177.43 175.56 3hb9 n LEU 874 N -5.07 0.00 -0.06 1.61 7.94 0.22 -1.58 117.00 120.06 3hb9 n LEU 874 Ca 0.13 0.26 -0.21 0.00 -1.11 0.00 0.00 56.01 55.08 3hb9 n LEU 874 Cb 0.40 -0.26 -0.13 0.00 0.53 0.00 0.00 43.42 43.96 3hb9 n LEU 874 CO 0.17 -0.01 -0.41 0.28 -1.11 0.00 0.00 177.39 176.31 3hb9 h SER 875 N 0.00 0.14 -0.38 1.96 0.02 -0.88 -2.88 113.55 111.52 3hb9 h SER 875 Ca 0.00 -0.70 0.07 0.00 -0.84 0.00 0.00 61.79 60.31 3hb9 h SER 875 Cb 0.25 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 3hb9 h SER 875 CO 0.00 1.50 0.01 -0.61 -1.14 0.00 0.00 176.83 176.59 3hb9 h GLN 876 N -0.72 0.11 -0.89 3.45 4.15 -1.18 -1.63 115.11 118.41 3hb9 h GLN 876 Ca -0.30 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 3hb9 h GLN 876 Cb 1.45 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.08 3hb9 h GLN 876 CO -0.09 0.07 0.50 0.37 -1.93 0.00 0.00 178.83 177.76 3hb9 h GLN 877 N 0.12 1.23 -0.00 1.69 4.15 -1.45 0.48 115.11 121.32 3hb9 h GLN 877 Ca 0.19 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3hb9 h GLN 877 Cb 0.26 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3hb9 h GLN 877 CO -0.30 0.89 -0.21 0.00 -1.93 0.00 0.00 178.83 177.28 3hb9 h ALA 878 N 1.31 1.65 0.22 3.38 0.00 -1.25 -2.73 119.26 121.84 3hb9 h ALA 878 Ca 0.31 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 3hb9 h ALA 878 Cb 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 17.80 3hb9 h ALA 878 CO -0.05 0.26 -1.36 0.87 0.00 0.00 0.00 179.25 178.97 3hb9 h LYS 879 N 0.00 0.53 0.00 0.00 1.57 -0.25 0.10 116.57 118.52 3hb9 h LYS 879 Ca -0.00 -0.87 0.00 0.00 -1.87 0.00 0.00 60.65 57.91 3hb9 h LYS 879 Cb 0.37 0.32 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hb9 h LYS 879 CO 0.03 1.41 0.03 0.43 -0.57 0.00 0.00 179.45 180.78 3hb9 n SER 880 N -3.79 0.17 0.00 0.86 7.64 0.15 -4.33 113.62 114.33 3hb9 n SER 880 Ca -0.16 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3hb9 n SER 880 Cb 1.05 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3hb9 n SER 880 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hb9 n LEU 881 N -1.72 0.00 -0.17 -3.43 4.77 -1.11 -5.04 117.00 110.30 3hb9 n LEU 881 Ca -0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3hb9 n LEU 881 Cb 0.04 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3hb9 n LEU 881 CO 0.03 0.00 0.45 0.61 -1.33 0.00 0.00 177.39 177.15 3hb9 n GLY 882 N 5.00 2.81 0.72 -0.72 0.00 -1.26 -4.81 105.19 106.94 3hb9 n GLY 882 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.53 3hb9 n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb9 n LEU 883 N -0.80 2.50 -0.38 0.99 4.77 -0.58 -4.60 117.00 118.90 3hb9 n LEU 883 Ca 0.08 -1.03 0.36 0.00 -0.03 0.00 0.00 56.01 55.39 3hb9 n LEU 883 Cb 0.59 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 42.38 3hb9 n LEU 883 CO 0.01 0.45 1.32 1.23 -1.33 0.00 0.00 177.39 179.06 3hb9 h GLY 884 N 3.48 0.33 0.25 -0.72 0.00 -1.09 -1.15 103.07 104.16 3hb9 h GLY 884 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3hb9 h GLY 884 CO 0.00 -0.06 -0.12 0.83 0.00 0.00 0.00 176.54 177.19 3hb9 h GLU 885 N 0.08 -0.33 -2.48 4.80 4.39 -1.88 -3.39 114.58 115.78 3hb9 h GLU 885 Ca 0.64 0.02 -0.54 0.00 0.34 0.00 0.00 59.36 59.82 3hb9 h GLU 885 Cb 2.36 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 31.01 3hb9 h GLU 885 CO -0.09 -0.22 1.84 2.89 -1.16 0.00 0.00 179.01 182.27 3hb9 n ARG 886 N -5.00 3.29 0.20 2.33 1.85 -0.45 -4.44 116.66 114.44 3hb9 n ARG 886 Ca -0.04 -2.26 0.14 0.00 -1.00 0.00 0.00 57.85 54.68 3hb9 n ARG 886 Cb 0.13 -2.44 0.41 0.00 -1.05 0.00 0.00 32.46 29.51 3hb9 n ARG 886 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3hb9 h PHE 887 N 4.05 0.00 -0.69 2.89 3.57 -1.72 -3.09 116.94 121.95 3hb9 h PHE 887 Ca 0.58 0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.18 3hb9 h PHE 887 Cb 0.66 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 3hb9 h PHE 887 CO 1.72 0.00 0.31 -0.44 -2.23 0.00 0.00 178.31 177.67 3hb9 h ASP 888 N 0.00 0.38 -0.15 0.41 3.32 -1.91 -1.47 116.42 117.00 3hb9 h ASP 888 Ca 0.00 0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3hb9 h ASP 888 Cb 0.71 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3hb9 h ASP 888 CO 0.00 0.21 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.88 3hb9 h GLU 889 N 0.53 0.73 0.34 3.56 5.08 -1.92 -2.61 114.58 120.29 3hb9 h GLU 889 Ca 0.35 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3hb9 h GLU 889 Cb 0.40 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3hb9 h GLU 889 CO -0.29 1.07 -0.24 0.28 -1.00 0.00 0.00 179.01 178.83 3hb9 h VAL 890 N 0.57 0.50 -1.01 3.13 2.07 -1.51 0.69 116.25 120.69 3hb9 h VAL 890 Ca 0.02 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.77 3hb9 h VAL 890 Cb 1.09 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 31.25 3hb9 h VAL 890 CO 0.11 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.42 3hb9 h LYS 891 N -0.57 0.60 -0.00 1.57 1.57 -1.29 0.32 116.57 118.77 3hb9 h LYS 891 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hb9 h LYS 891 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hb9 h LYS 891 CO 0.02 0.40 -0.00 0.22 -0.57 0.00 0.00 179.45 179.51 3hb9 h ASP 892 N 0.62 0.00 -0.89 0.86 3.58 -1.01 -3.16 116.42 116.41 3hb9 h ASP 892 Ca 0.62 -0.63 0.04 0.00 0.42 0.00 0.00 57.03 57.47 3hb9 h ASP 892 Cb 1.15 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 3hb9 h ASP 892 CO -0.42 0.63 0.58 -0.03 -2.88 0.00 0.00 179.24 177.12 3hb9 h MET 893 N -0.63 1.08 -0.57 0.28 4.05 0.14 -0.92 114.93 118.35 3hb9 h MET 893 Ca -0.00 -0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.47 3hb9 h MET 893 Cb 0.63 -0.24 -0.09 0.00 -0.80 0.00 0.00 31.60 31.10 3hb9 h MET 893 CO 0.00 0.72 0.05 -0.92 0.23 0.00 0.00 176.91 176.98 3hb9 h TYR 894 N 1.11 0.05 -0.26 1.39 3.20 -0.50 0.78 116.97 122.75 3hb9 h TYR 894 Ca 0.36 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 3hb9 h TYR 894 Cb 0.02 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3hb9 h TYR 894 CO -0.02 -0.10 -0.26 -0.09 -1.64 0.00 0.00 178.16 176.05 3hb9 h ARG 895 N 0.17 0.51 -0.06 1.82 2.43 -1.20 -2.08 114.38 115.96 3hb9 h ARG 895 Ca 0.30 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 59.10 3hb9 h ARG 895 Cb 0.46 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hb9 h ARG 895 CO -0.45 0.73 -0.64 0.00 -1.51 0.00 0.00 179.97 178.11 3hb9 h ARG 896 N 0.44 0.54 -0.90 0.20 3.08 -0.10 -3.03 114.38 114.62 3hb9 h ARG 896 Ca 0.06 -0.50 0.06 0.00 0.07 0.00 0.00 59.98 59.67 3hb9 h ARG 896 Cb 0.70 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.81 3hb9 h ARG 896 CO 0.05 1.13 0.59 0.28 -1.07 0.00 0.00 179.97 180.95 3hb9 h VAL 897 N 0.13 1.08 -0.18 2.04 2.07 0.57 0.69 116.25 122.66 3hb9 h VAL 897 Ca -0.06 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3hb9 h VAL 897 Cb 1.30 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3hb9 h VAL 897 CO 0.13 0.19 -0.11 -1.13 0.02 0.00 0.00 177.57 176.67 3hb9 h ASN 898 N 1.04 -0.36 0.61 0.57 -0.73 -1.37 0.12 115.58 115.46 3hb9 h ASN 898 Ca 0.38 0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.50 3hb9 h ASN 898 Cb 0.16 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 3hb9 h ASN 898 CO -0.14 -0.15 -0.63 -0.26 -0.37 0.00 0.00 177.43 175.89 3hb9 h PHE 899 N -0.10 0.02 -0.30 0.67 -1.00 -1.18 0.42 116.94 115.47 3hb9 h PHE 899 Ca 0.11 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 3hb9 h PHE 899 Cb 0.26 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3hb9 h PHE 899 CO -0.26 0.64 0.01 1.25 -1.61 0.00 0.00 178.31 178.34 3hb9 h LEU 900 N 0.01 0.42 -1.43 1.54 5.85 0.75 -2.31 115.31 120.14 3hb9 h LEU 900 Ca -0.01 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3hb9 h LEU 900 Cb 1.12 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3hb9 h LEU 900 CO 0.08 0.48 0.00 0.49 -0.34 0.00 0.00 178.44 179.16 3hb9 n PHE 901 N -4.31 0.53 -0.88 1.25 3.01 0.38 -4.89 117.46 112.54 3hb9 n PHE 901 Ca 0.01 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3hb9 n PHE 901 Cb 0.22 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3hb9 n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 902 N 1.08 0.74 2.44 1.37 0.00 -0.87 -4.60 105.19 105.35 3hb9 n GLY 902 Ca 0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 3hb9 n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb9 n ASP 903 N 1.28 -6.60 -4.67 1.61 4.64 0.11 -4.56 116.55 108.36 3hb9 n ASP 903 Ca 0.00 1.02 -0.23 0.00 -1.38 0.00 0.00 54.79 54.20 3hb9 n ASP 903 Cb 0.12 -4.32 -0.07 0.00 -1.04 0.00 0.00 41.12 35.81 3hb9 n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hb9 s ILE 904 N -1.36 3.46 0.17 5.18 -4.36 -1.26 -4.74 121.20 118.29 3hb9 s ILE 904 Ca 0.02 -1.85 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 3hb9 s ILE 904 Cb -0.01 -2.90 -0.08 0.00 1.25 0.00 0.00 42.46 40.72 3hb9 s ILE 904 CO 0.60 -0.35 1.25 -0.69 0.24 0.00 0.00 174.94 176.00 3hb9 s VAL 905 N -2.33 3.45 -0.48 8.37 1.01 -1.26 -5.01 120.40 124.15 3hb9 s VAL 905 Ca 0.32 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.50 3hb9 s VAL 905 Cb -0.06 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.69 3hb9 s VAL 905 CO 0.21 0.17 0.24 -0.54 0.00 0.00 0.00 175.10 175.17 3hb9 s LYS 906 N 0.02 1.98 0.33 2.72 1.02 -1.26 -4.68 119.74 119.86 3hb9 s LYS 906 Ca 0.56 -2.33 0.06 0.00 0.02 0.00 0.00 55.97 54.27 3hb9 s LYS 906 Cb -0.34 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 3hb9 s LYS 906 CO 0.36 -1.08 0.23 0.14 -0.92 0.00 0.00 175.35 174.09 3hb9 s VAL 907 N 0.20 0.11 0.18 3.17 -7.23 -1.26 -4.52 120.40 111.06 3hb9 s VAL 907 Ca 0.15 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 3hb9 s VAL 907 Cb -0.23 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 3hb9 s VAL 907 CO -0.03 0.00 1.46 -0.89 -0.31 0.00 0.00 175.10 175.33 3hb9 s THR 908 N -3.50 2.83 -1.57 5.32 2.01 -1.26 0.85 115.64 120.32 3hb9 s THR 908 Ca 0.38 0.64 0.26 0.00 0.31 0.00 0.00 61.69 63.27 3hb9 s THR 908 Cb 0.03 -3.41 0.21 0.00 0.01 0.00 0.00 72.50 69.35 3hb9 s THR 908 CO 0.23 0.07 1.54 -0.81 -0.69 0.00 0.00 174.62 174.96 3hb9 n PRO 909 N 3.30 0.64 -0.03 4.92 -0.04 -1.26 -4.68 135.00 137.84 3hb9 n PRO 909 Ca 0.10 -0.37 0.24 0.00 -0.04 0.00 0.00 63.50 63.43 3hb9 n PRO 909 Cb 0.40 -1.49 0.72 0.00 -0.04 0.00 0.00 33.50 33.09 3hb9 n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hb9 h SER 910 N 0.90 0.00 0.35 3.54 4.64 0.15 0.23 113.55 123.36 3hb9 h SER 910 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3hb9 h SER 910 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3hb9 h SER 910 CO 0.00 0.00 -0.69 -1.28 -0.87 0.00 0.00 176.83 173.99 3hb9 h SER 911 N 0.00 0.35 -0.17 4.97 0.87 -0.48 -2.84 113.55 116.25 3hb9 h SER 911 Ca 0.30 -0.22 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 3hb9 h SER 911 Cb 1.43 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3hb9 h SER 911 CO -0.00 0.94 -0.51 0.50 -0.53 0.00 0.00 176.83 177.22 3hb9 h LYS 912 N 0.21 0.75 0.36 2.24 3.64 -0.80 -1.71 116.57 121.26 3hb9 h LYS 912 Ca -0.02 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3hb9 h LYS 912 Cb 1.24 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 3hb9 h LYS 912 CO 0.11 1.08 -0.41 0.28 -2.27 0.00 0.00 179.45 178.24 3hb9 h VAL 913 N 0.59 0.17 -0.55 2.00 2.07 -1.40 0.39 116.25 119.51 3hb9 h VAL 913 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3hb9 h VAL 913 Cb 1.08 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hb9 h VAL 913 CO 0.11 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.64 3hb9 h VAL 914 N -0.81 1.14 0.05 2.57 2.07 -1.54 -2.35 116.25 117.37 3hb9 h VAL 914 Ca -0.03 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3hb9 h VAL 914 Cb 0.74 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3hb9 h VAL 914 CO -0.09 0.13 -0.49 1.23 0.02 0.00 0.00 177.57 178.37 3hb9 h GLY 915 N 0.74 -1.00 0.51 2.17 0.00 -1.01 -2.04 103.07 102.44 3hb9 h GLY 915 Ca 0.20 0.60 0.14 0.00 0.00 0.00 0.00 47.33 48.26 3hb9 h GLY 915 CO -0.04 -0.25 0.59 -0.55 0.00 0.00 0.00 176.54 176.28 3hb9 h ASP 916 N -0.67 0.74 -0.45 0.19 3.45 0.02 -1.67 116.42 118.03 3hb9 h ASP 916 Ca 0.02 0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.42 3hb9 h ASP 916 Cb 0.71 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 3hb9 h ASP 916 CO -0.31 0.38 -0.14 0.24 -1.57 0.00 0.00 179.24 177.84 3hb9 h MET 917 N 0.79 0.89 -0.25 3.56 2.86 -1.19 -1.50 114.93 120.10 3hb9 h MET 917 Ca 0.46 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3hb9 h MET 917 Cb 0.64 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 3hb9 h MET 917 CO -0.23 1.00 0.01 0.00 1.06 0.00 0.00 176.91 178.76 3hb9 h ALA 918 N 0.86 0.23 0.67 6.32 0.00 -0.58 0.17 119.26 126.92 3hb9 h ALA 918 Ca 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hb9 h ALA 918 Cb 0.69 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3hb9 h ALA 918 CO 0.05 -0.41 -0.48 -0.07 0.00 0.00 0.00 179.25 178.34 3hb9 h LEU 919 N 0.09 -1.26 -0.41 0.00 4.07 -1.46 -2.66 115.31 113.67 3hb9 h LEU 919 Ca 0.12 0.08 0.08 0.00 0.08 0.00 0.00 57.88 58.24 3hb9 h LEU 919 Cb 0.14 0.39 -0.09 0.00 1.08 0.00 0.00 40.66 42.17 3hb9 h LEU 919 CO -0.18 -0.70 -0.30 0.22 -1.08 0.00 0.00 178.44 176.39 3hb9 h TYR 920 N -1.10 -0.82 -0.18 1.13 3.20 -0.93 0.20 116.97 118.46 3hb9 h TYR 920 Ca -0.09 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hb9 h TYR 920 Cb 0.91 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 3hb9 h TYR 920 CO -0.15 -0.36 0.12 0.52 -1.64 0.00 0.00 178.16 176.64 3hb9 h MET 921 N -0.22 0.24 -0.37 1.82 2.86 -0.74 -0.11 114.93 118.41 3hb9 h MET 921 Ca 0.18 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3hb9 h MET 921 Cb 0.52 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3hb9 h MET 921 CO -0.54 0.16 0.21 0.28 1.06 0.00 0.00 176.91 178.08 3hb9 h VAL 922 N 0.25 1.03 0.46 -2.22 2.07 -1.05 0.68 116.25 117.46 3hb9 h VAL 922 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3hb9 h VAL 922 Cb -0.03 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3hb9 h VAL 922 CO -0.02 0.08 -0.50 -0.61 0.02 0.00 0.00 177.57 176.54 3hb9 h GLN 923 N 0.43 -0.93 -0.09 1.57 4.15 -0.20 -2.67 115.11 117.37 3hb9 h GLN 923 Ca 0.15 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3hb9 h GLN 923 Cb 0.02 0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3hb9 h GLN 923 CO -0.08 -0.62 0.00 0.09 -1.93 0.00 0.00 178.83 176.30 3hb9 n ASN 924 N -5.45 0.55 -3.40 -0.69 3.02 -0.09 -4.91 115.26 104.28 3hb9 n ASN 924 Ca -0.11 -1.84 -0.18 0.00 -0.03 0.00 0.00 54.58 52.42 3hb9 n ASN 924 Cb 0.45 -0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.63 3hb9 n ASN 924 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hb9 n ASP 925 N -0.27 -4.21 -4.84 6.41 -0.08 0.16 -4.99 116.55 108.71 3hb9 n ASP 925 Ca 0.07 -0.71 -0.38 0.00 -1.51 0.00 0.00 54.79 52.26 3hb9 n ASP 925 Cb 0.11 -4.90 -0.06 0.00 2.34 0.00 0.00 41.12 38.60 3hb9 n ASP 925 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3hb9 s LEU 926 N -5.98 4.43 0.77 -2.67 2.01 0.21 -5.01 118.68 112.44 3hb9 s LEU 926 Ca 0.24 0.75 -0.04 0.00 0.01 0.00 0.00 54.13 55.09 3hb9 s LEU 926 Cb -0.04 -2.38 0.14 0.00 0.01 0.00 0.00 46.19 43.92 3hb9 s LEU 926 CO 0.75 0.34 1.05 -0.62 1.01 0.00 0.00 176.35 178.89 3hb9 s ASP 927 N -0.93 4.12 0.15 2.29 2.15 -1.26 -4.73 116.67 118.47 3hb9 s ASP 927 Ca 0.20 -0.25 -0.03 0.00 0.43 0.00 0.00 52.55 52.90 3hb9 s ASP 927 Cb -0.15 -0.07 -0.03 0.00 -0.30 0.00 0.00 42.92 42.38 3hb9 s ASP 927 CO 0.09 -2.02 1.36 -0.33 -0.17 0.00 0.00 175.17 174.10 3hb9 h GLU 928 N -0.73 0.41 0.11 4.34 3.07 -2.00 -3.21 114.58 116.56 3hb9 h GLU 928 Ca -0.38 -0.39 -0.26 0.00 -0.50 0.00 0.00 59.36 57.83 3hb9 h GLU 928 Cb 1.26 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.27 3hb9 h GLU 928 CO 0.40 1.05 -1.21 1.96 -1.40 0.00 0.00 179.01 179.80 3hb9 h GLN 929 N 0.26 0.22 -0.02 2.33 7.50 -2.03 -3.30 115.11 120.07 3hb9 h GLN 929 Ca -0.06 -0.38 0.00 0.00 0.50 0.00 0.00 58.65 58.71 3hb9 h GLN 929 Cb 1.45 0.14 0.00 0.00 0.05 0.00 0.00 27.48 29.12 3hb9 h GLN 929 CO 0.15 1.18 0.00 -1.13 -1.50 0.00 0.00 178.83 177.52 3hb9 n SER 930 N -3.50 1.02 0.19 1.46 3.41 -1.25 -3.15 113.62 111.80 3hb9 n SER 930 Ca -0.07 -1.37 0.12 0.00 -0.26 0.00 0.00 58.87 57.30 3hb9 n SER 930 Cb 1.01 -0.01 0.25 0.00 -0.26 0.00 0.00 64.21 65.20 3hb9 n SER 930 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hb9 h VAL 931 N 1.58 0.00 0.05 -3.33 3.04 -1.63 -2.64 116.25 113.32 3hb9 h VAL 931 Ca 0.00 -0.83 -0.33 0.00 -1.01 0.00 0.00 66.70 64.53 3hb9 h VAL 931 Cb 0.34 1.83 -0.03 0.00 -2.01 0.00 0.00 31.29 31.41 3hb9 h VAL 931 CO 0.00 0.00 -1.83 -0.38 -1.01 0.00 0.00 177.57 174.35 3hb9 n ILE 932 N -2.85 1.64 0.02 3.17 2.08 -1.19 -3.13 119.36 119.10 3hb9 n ILE 932 Ca 0.04 -0.39 -0.12 0.00 0.56 0.00 0.00 62.75 62.85 3hb9 n ILE 932 Cb 0.49 -1.83 -0.06 0.00 -0.75 0.00 0.00 39.64 37.49 3hb9 n ILE 932 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 3hb9 h THR 933 N -0.44 1.03 -0.00 1.39 2.02 -1.62 -3.02 112.91 112.25 3hb9 h THR 933 Ca -0.44 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3hb9 h THR 933 Cb 1.71 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3hb9 h THR 933 CO -0.09 0.02 -0.52 0.47 0.37 0.00 0.00 175.52 175.77 3hb9 n ASP 934 N -5.05 1.00 -0.05 4.18 10.43 -0.99 -4.48 116.55 121.58 3hb9 n ASP 934 Ca -0.06 -0.79 0.23 0.00 2.57 0.00 0.00 54.79 56.74 3hb9 n ASP 934 Cb 0.04 0.39 0.71 0.00 1.84 0.00 0.00 41.12 44.10 3hb9 n ASP 934 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3hb9 h GLY 935 N 4.95 0.00 2.00 0.44 0.00 -1.47 -1.05 103.07 107.95 3hb9 h GLY 935 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hb9 h GLY 935 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.12 3hb9 n TYR 936 N -4.23 0.32 -0.90 5.60 0.18 -1.26 -2.51 117.16 114.35 3hb9 n TYR 936 Ca 0.13 0.15 0.00 0.00 1.88 0.00 0.00 57.90 60.06 3hb9 n TYR 936 Cb 0.75 -0.75 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3hb9 n TYR 936 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3hb9 n LYS 937 N -1.82 0.41 0.05 -3.48 2.85 -0.42 -4.94 118.16 110.82 3hb9 n LYS 937 Ca 0.00 -0.66 -0.20 0.00 -1.05 0.00 0.00 58.31 56.40 3hb9 n LYS 937 Cb 0.05 -0.57 -0.14 0.00 -0.65 0.00 0.00 35.03 33.72 3hb9 n LYS 937 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3hb9 h LEU 938 N 0.00 0.55 -2.62 -5.58 3.38 -1.27 -3.50 115.31 106.28 3hb9 h LEU 938 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3hb9 h LEU 938 Cb 0.95 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hb9 h LEU 938 CO 0.00 1.40 -0.23 -0.67 0.09 0.00 0.00 178.44 179.03 3hb9 n ASP 939 N -4.08 -5.20 -4.83 -0.43 -0.08 -1.26 -5.03 116.55 95.64 3hb9 n ASP 939 Ca -0.13 0.25 -0.31 0.00 -1.51 0.00 0.00 54.79 53.09 3hb9 n ASP 939 Cb 0.83 -3.37 0.06 0.00 2.34 0.00 0.00 41.12 40.98 3hb9 n ASP 939 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3hb9 s PHE 940 N -2.02 3.09 0.60 -0.67 0.40 -1.26 -5.01 117.98 113.10 3hb9 s PHE 940 Ca 0.12 1.27 -0.18 0.00 -0.60 0.00 0.00 56.93 57.53 3hb9 s PHE 940 Cb -0.03 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 3hb9 s PHE 940 CO 0.41 -1.36 1.17 -2.14 0.70 0.00 0.00 175.22 174.00 3hb9 s PRO 941 N -5.14 3.02 0.32 0.24 0.02 -1.26 -4.81 135.00 127.39 3hb9 s PRO 941 Ca 0.59 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.33 3hb9 s PRO 941 Cb -0.13 -1.95 0.67 0.00 0.02 0.00 0.00 34.50 33.10 3hb9 s PRO 941 CO 0.54 -1.13 1.88 1.49 -0.33 0.00 0.00 177.00 179.45 3hb9 h GLU 942 N 0.78 0.84 -0.02 5.54 4.57 -2.00 -0.80 114.58 123.48 3hb9 h GLU 942 Ca -0.50 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.55 3hb9 h GLU 942 Cb 1.28 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3hb9 h GLU 942 CO 0.55 0.55 -0.36 0.66 -1.18 0.00 0.00 179.01 179.24 3hb9 h SER 943 N 0.86 0.05 0.15 1.04 4.64 -1.97 -1.86 113.55 116.47 3hb9 h SER 943 Ca 0.43 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 3hb9 h SER 943 Cb 0.48 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3hb9 h SER 943 CO -0.19 0.41 -0.07 0.58 -0.87 0.00 0.00 176.83 176.68 3hb9 h VAL 944 N 0.04 0.98 -0.64 0.95 2.07 -1.46 -1.79 116.25 116.40 3hb9 h VAL 944 Ca 0.00 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3hb9 h VAL 944 Cb 0.66 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3hb9 h VAL 944 CO 0.05 0.22 0.32 -0.37 0.02 0.00 0.00 177.57 177.81 3hb9 h VAL 945 N -0.73 0.90 -0.66 2.57 -1.51 -1.45 -1.59 116.25 113.80 3hb9 h VAL 945 Ca -0.02 -0.20 0.11 0.00 -1.23 0.00 0.00 66.70 65.36 3hb9 h VAL 945 Cb 0.52 0.27 -0.08 0.00 -2.13 0.00 0.00 31.29 29.87 3hb9 h VAL 945 CO 0.03 0.11 0.25 -1.28 -1.23 0.00 0.00 177.57 175.45 3hb9 h SER 946 N 0.59 0.24 -0.30 4.19 0.87 -1.33 -0.71 113.55 117.10 3hb9 h SER 946 Ca 0.30 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3hb9 h SER 946 Cb 0.25 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3hb9 h SER 946 CO -0.22 0.13 0.16 0.15 -0.53 0.00 0.00 176.83 176.52 3hb9 h PHE 947 N 0.43 0.42 0.00 2.24 3.04 -0.39 -1.97 116.94 120.70 3hb9 h PHE 947 Ca 0.34 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 3hb9 h PHE 947 Cb 0.45 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.82 3hb9 h PHE 947 CO -0.17 0.34 0.00 1.19 -2.02 0.00 0.00 178.31 177.66 3hb9 n PHE 948 N -4.81 0.00 1.03 0.41 3.01 -0.83 -1.79 117.46 114.49 3hb9 n PHE 948 Ca -0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.55 3hb9 n PHE 948 Cb 0.08 -0.08 0.07 0.00 -0.01 0.00 0.00 39.48 39.53 3hb9 n PHE 948 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3hb9 n LYS 949 N -1.08 0.29 -0.95 -1.08 4.81 -0.33 -4.74 118.16 115.07 3hb9 n LYS 949 Ca 0.17 -0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 3hb9 n LYS 949 Cb 0.12 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.68 3hb9 n LYS 949 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hb9 n GLY 950 N 1.47 0.48 0.01 3.14 0.00 -0.74 -0.06 105.19 109.49 3hb9 n GLY 950 Ca 0.06 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.77 3hb9 n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hb9 n GLU 951 N -2.95 0.02 -0.09 1.61 1.02 -0.80 -1.79 120.64 117.67 3hb9 n GLU 951 Ca 0.00 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.40 3hb9 n GLU 951 Cb 0.00 -1.53 0.11 0.00 -0.02 0.00 0.00 31.44 30.00 3hb9 n GLU 951 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3hb9 n ILE 952 N -1.56 1.63 0.00 -3.67 -5.35 -1.26 -4.88 119.36 104.27 3hb9 n ILE 952 Ca 0.05 -1.93 0.00 0.00 -0.27 0.00 0.00 62.75 60.60 3hb9 n ILE 952 Cb 0.23 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 3hb9 n ILE 952 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hb9 n GLY 953 N -1.20 -3.54 3.70 3.28 0.00 -0.74 -4.82 105.19 101.86 3hb9 n GLY 953 Ca 0.13 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3hb9 n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hb9 s GLN 954 N -0.83 4.18 0.76 1.61 -1.52 -1.26 -4.65 119.66 117.95 3hb9 s GLN 954 Ca 0.00 0.01 -0.11 0.00 -1.95 0.00 0.00 55.36 53.30 3hb9 s GLN 954 Cb 0.00 -3.48 0.05 0.00 -0.22 0.00 0.00 33.01 29.36 3hb9 s GLN 954 CO 0.00 0.12 1.10 -1.25 -0.25 0.00 0.00 175.29 175.01 3hb9 s PRO 955 N 0.84 2.32 0.12 2.91 0.04 -1.26 -4.68 135.00 135.28 3hb9 s PRO 955 Ca 0.14 1.23 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 3hb9 s PRO 955 Cb -0.13 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 3hb9 s PRO 955 CO 0.04 -1.61 1.67 0.28 0.04 0.00 0.00 177.00 177.43 3hb9 h VAL 956 N -0.92 0.63 0.00 -0.36 2.07 -1.89 -2.76 116.25 113.03 3hb9 h VAL 956 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hb9 h VAL 956 Cb 1.24 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3hb9 h VAL 956 CO 0.51 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.69 3hb9 n ASN 957 N -5.28 0.59 0.00 0.57 4.13 -1.26 -5.04 115.26 108.97 3hb9 n ASN 957 Ca -0.05 0.57 0.00 0.00 1.68 0.00 0.00 54.58 56.79 3hb9 n ASN 957 Cb 0.20 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 3hb9 n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hb9 n GLY 958 N 1.07 -1.75 3.50 7.41 0.00 -1.04 -4.91 105.19 109.47 3hb9 n GLY 958 Ca 0.05 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 3hb9 n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hb9 s PHE 959 N 0.00 2.87 0.02 1.61 0.40 -1.26 -4.79 117.98 116.83 3hb9 s PHE 959 Ca 0.00 -0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 3hb9 s PHE 959 Cb 0.00 -1.76 -0.08 0.00 0.51 0.00 0.00 43.02 41.69 3hb9 s PHE 959 CO 0.00 0.14 1.88 1.21 0.70 0.00 0.00 175.22 179.15 3hb9 s ASN 960 N -0.38 6.50 0.24 1.36 2.47 -1.26 -4.89 114.94 118.98 3hb9 s ASN 960 Ca 0.05 2.57 -0.05 0.00 0.42 0.00 0.00 52.86 55.84 3hb9 s ASN 960 Cb -0.12 -2.53 0.35 0.00 -1.45 0.00 0.00 41.25 37.49 3hb9 s ASN 960 CO 0.02 -1.02 1.83 0.11 -3.72 0.00 0.00 177.10 174.33 3hb9 h LYS 961 N 10.23 0.86 -0.17 0.43 1.57 -1.99 -1.52 116.57 125.98 3hb9 h LYS 961 Ca -0.47 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 3hb9 h LYS 961 Cb 1.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3hb9 h LYS 961 CO 0.94 0.57 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.90 3hb9 h ASP 962 N 0.89 0.35 -0.33 0.86 3.32 -1.99 -1.65 116.42 117.86 3hb9 h ASP 962 Ca 0.38 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hb9 h ASP 962 Cb 0.24 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3hb9 h ASP 962 CO -0.20 0.66 0.19 0.25 -1.72 0.00 0.00 179.24 178.42 3hb9 h LEU 963 N 0.04 0.41 -0.54 1.55 5.85 -1.91 -1.13 115.31 119.58 3hb9 h LEU 963 Ca 0.04 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3hb9 h LEU 963 Cb 0.51 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3hb9 h LEU 963 CO 0.02 0.36 0.22 -0.61 -0.34 0.00 0.00 178.44 178.09 3hb9 h GLN 964 N 0.42 0.40 -0.27 1.25 4.15 -1.27 -1.14 115.11 118.65 3hb9 h GLN 964 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3hb9 h GLN 964 Cb 0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3hb9 h GLN 964 CO -0.02 0.27 0.18 0.00 -1.93 0.00 0.00 178.83 177.32 3hb9 h ALA 965 N 1.34 0.35 -0.07 3.38 0.00 -0.93 -0.11 119.26 123.22 3hb9 h ALA 965 Ca 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hb9 h ALA 965 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hb9 h ALA 965 CO -0.24 -0.17 -0.28 0.28 0.00 0.00 0.00 179.25 178.84 3hb9 h VAL 966 N 0.36 1.23 0.10 0.00 2.07 -0.80 -2.29 116.25 116.92 3hb9 h VAL 966 Ca 0.10 -1.08 -0.24 0.00 0.82 0.00 0.00 66.70 66.29 3hb9 h VAL 966 Cb -0.02 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3hb9 h VAL 966 CO -0.02 0.32 -1.23 0.40 0.02 0.00 0.00 177.57 177.06 3hb9 h ILE 967 N 0.11 1.13 0.00 4.57 2.04 -1.02 -3.38 117.51 120.97 3hb9 h ILE 967 Ca 0.02 -2.40 -0.09 0.00 1.00 0.00 0.00 64.86 63.39 3hb9 h ILE 967 Cb 0.56 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3hb9 h ILE 967 CO 0.04 0.67 -0.43 -0.07 0.00 0.00 0.00 178.15 178.36 3hb9 h LEU 968 N -0.42 0.00 -0.52 1.44 3.38 -1.00 -3.46 115.31 114.73 3hb9 h LEU 968 Ca -0.27 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.27 3hb9 h LEU 968 Cb 1.66 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.43 3hb9 h LEU 968 CO 0.04 0.43 -0.70 0.29 0.09 0.00 0.00 178.44 178.60 3hb9 n LYS 969 N -3.76 -5.96 0.00 1.13 5.02 -0.87 -2.42 118.16 111.30 3hb9 n LYS 969 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3hb9 n LYS 969 Cb 0.50 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 3hb9 n LYS 969 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hb9 n GLY 970 N -1.72 1.49 3.69 0.72 0.00 -1.26 -5.09 105.19 103.02 3hb9 n GLY 970 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3hb9 n GLY 970 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hb9 n GLN 971 N -0.07 1.12 -3.21 1.61 6.02 -1.02 -5.00 117.38 116.84 3hb9 n GLN 971 Ca 0.00 0.43 -0.39 0.00 -0.01 0.00 0.00 57.00 57.03 3hb9 n GLN 971 Cb 0.00 -2.40 -0.06 0.00 1.02 0.00 0.00 30.24 28.81 3hb9 n GLN 971 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3hb9 s GLU 972 N -3.05 4.30 0.18 -1.09 2.02 -1.26 -4.92 118.70 114.88 3hb9 s GLU 972 Ca 0.78 0.74 -0.14 0.00 0.02 0.00 0.00 54.97 56.37 3hb9 s GLU 972 Cb -0.40 -3.33 -0.07 0.00 0.10 0.00 0.00 34.13 30.43 3hb9 s GLU 972 CO 0.44 0.41 0.59 0.00 0.02 0.00 0.00 175.26 176.72 3hb9 s ALA 973 N -0.33 3.53 0.38 5.21 0.00 -1.26 -4.93 121.76 124.36 3hb9 s ALA 973 Ca 0.31 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 3hb9 s ALA 973 Cb -0.18 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 3hb9 s ALA 973 CO 0.18 0.44 1.27 -0.51 0.00 0.00 0.00 175.76 177.13 3hb9 s LEU 974 N -2.17 4.28 -0.18 0.00 1.43 0.91 -4.97 118.68 117.97 3hb9 s LEU 974 Ca 0.41 2.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.95 3hb9 s LEU 974 Cb -0.14 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.13 3hb9 s LEU 974 CO 0.20 -0.71 -0.06 0.35 0.23 0.00 0.00 176.35 176.36 3hb9 n THR 975 N 0.32 1.48 -1.90 5.49 -2.24 -1.26 -4.74 114.28 111.42 3hb9 n THR 975 Ca 0.03 0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.61 3hb9 n THR 975 Cb 0.44 -2.22 0.19 0.00 -2.10 0.00 0.00 70.33 66.63 3hb9 n THR 975 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb9 n ALA 976 N -3.67 -1.36 -1.77 6.98 0.00 -1.26 -5.04 120.51 114.39 3hb9 n ALA 976 Ca -0.20 -1.64 -0.39 0.00 0.00 0.00 0.00 53.44 51.21 3hb9 n ALA 976 Cb 0.48 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 3hb9 n ALA 976 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3hb9 s ARG 977 N -5.69 3.90 0.35 0.00 1.70 -1.26 -4.93 118.95 113.01 3hb9 s ARG 977 Ca 0.70 2.06 0.13 0.00 -0.47 0.00 0.00 55.73 58.15 3hb9 s ARG 977 Cb -0.02 -2.66 0.97 0.00 -0.57 0.00 0.00 34.95 32.66 3hb9 s ARG 977 CO 0.49 -0.52 1.75 -1.35 -1.08 0.00 0.00 175.30 174.59 3hb9 h PRO 978 N 2.51 0.50 -0.46 3.89 0.11 -1.90 -1.78 132.00 134.86 3hb9 h PRO 978 Ca -0.49 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3hb9 h PRO 978 Cb 1.25 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3hb9 h PRO 978 CO 0.62 0.33 0.31 0.78 -0.21 0.00 0.00 178.00 179.83 3hb9 h GLY 979 N 0.52 0.57 1.87 -0.55 0.00 -1.92 -2.65 103.07 100.91 3hb9 h GLY 979 Ca 0.62 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 3hb9 h GLY 979 CO -0.39 0.17 -0.15 0.83 0.00 0.00 0.00 176.54 176.99 3hb9 h GLU 980 N 0.50 0.16 0.00 4.80 5.08 -1.67 -2.67 114.58 120.77 3hb9 h GLU 980 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hb9 h GLU 980 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hb9 h GLU 980 CO -0.05 0.32 0.00 0.66 -1.00 0.00 0.00 179.01 178.94 3hb9 n TYR 981 N -4.28 0.00 -4.12 4.33 4.02 -1.00 -4.87 117.16 111.25 3hb9 n TYR 981 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.53 3hb9 n TYR 981 Cb 0.27 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.37 3hb9 n TYR 981 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hb9 s LEU 982 N -2.25 3.82 0.09 7.72 1.43 -1.01 -5.07 118.68 123.41 3hb9 s LEU 982 Ca 0.36 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 3hb9 s LEU 982 Cb 0.19 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 3hb9 s LEU 982 CO 0.37 0.28 1.51 -0.70 0.23 0.00 0.00 176.35 178.04 3hb9 s GLU 983 N -0.28 4.25 0.35 1.70 2.56 -1.26 -4.78 118.70 121.24 3hb9 s GLU 983 Ca 0.08 2.19 -0.28 0.00 0.00 0.00 0.00 54.97 56.95 3hb9 s GLU 983 Cb -0.12 -3.41 -0.12 0.00 2.00 0.00 0.00 34.13 32.49 3hb9 s GLU 983 CO 0.02 -0.59 1.43 -0.35 -0.56 0.00 0.00 175.26 175.20 3hb9 n PRO 984 N 4.76 2.47 -2.61 4.30 -0.04 -1.26 -4.66 135.00 137.96 3hb9 n PRO 984 Ca 0.14 0.87 -0.43 0.00 -0.04 0.00 0.00 63.50 64.03 3hb9 n PRO 984 Cb 0.41 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 3hb9 n PRO 984 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hb9 s VAL 985 N -0.95 4.60 -0.71 0.52 1.01 -1.26 -4.97 120.40 118.63 3hb9 s VAL 985 Ca 0.56 1.93 -0.26 0.00 0.00 0.00 0.00 61.98 64.20 3hb9 s VAL 985 Cb -0.52 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 31.63 3hb9 s VAL 985 CO 0.61 -0.15 1.54 -0.62 0.00 0.00 0.00 175.10 176.47 3hb9 s ASP 986 N 1.35 5.80 0.14 3.32 3.68 -1.26 -4.86 116.67 124.85 3hb9 s ASP 986 Ca 0.47 -0.21 0.20 0.00 2.13 0.00 0.00 52.55 55.13 3hb9 s ASP 986 Cb -0.17 -2.55 0.83 0.00 -1.45 0.00 0.00 42.92 39.59 3hb9 s ASP 986 CO 0.09 -2.06 1.62 0.49 0.13 0.00 0.00 175.17 175.44 3hb9 n PHE 987 N 10.81 0.45 -0.03 -5.34 3.01 -1.26 -2.50 117.46 122.61 3hb9 n PHE 987 Ca 0.13 0.17 -0.14 0.00 1.01 0.00 0.00 57.45 58.62 3hb9 n PHE 987 Cb 0.50 -0.78 -0.10 0.00 -0.01 0.00 0.00 39.48 39.10 3hb9 n PHE 987 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3hb9 h GLU 988 N 0.00 0.18 -0.42 -1.08 5.08 -1.99 -1.92 114.58 114.43 3hb9 h GLU 988 Ca 0.00 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3hb9 h GLU 988 Cb 0.34 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 3hb9 h GLU 988 CO 0.00 0.73 -0.17 0.87 -1.00 0.00 0.00 179.01 179.44 3hb9 h LYS 989 N -0.34 -0.08 -0.74 2.33 1.79 -1.91 0.31 116.57 117.92 3hb9 h LYS 989 Ca -0.00 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.57 3hb9 h LYS 989 Cb 0.74 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.34 3hb9 h LYS 989 CO 0.03 -0.06 0.38 0.28 -1.08 0.00 0.00 179.45 179.01 3hb9 h VAL 990 N -0.09 0.86 -0.37 0.50 2.07 -1.53 0.11 116.25 117.80 3hb9 h VAL 990 Ca 0.20 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3hb9 h VAL 990 Cb 0.40 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3hb9 h VAL 990 CO -0.48 0.12 0.13 -0.09 0.02 0.00 0.00 177.57 177.26 3hb9 h ARG 991 N 0.65 0.57 -0.10 1.57 2.43 -0.41 -1.68 114.38 117.41 3hb9 h ARG 991 Ca 0.36 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3hb9 h ARG 991 Cb 0.37 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3hb9 h ARG 991 CO -0.26 0.58 -0.05 0.93 -1.51 0.00 0.00 179.97 179.66 3hb9 h GLU 992 N 0.46 0.14 0.05 0.20 5.08 0.79 -1.03 114.58 120.27 3hb9 h GLU 992 Ca 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hb9 h GLU 992 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hb9 h GLU 992 CO -0.01 0.21 -0.02 1.25 -1.00 0.00 0.00 179.01 179.44 3hb9 h LEU 993 N 0.14 -0.06 -2.01 1.33 5.85 -0.72 -3.18 115.31 116.67 3hb9 h LEU 993 Ca 0.03 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 3hb9 h LEU 993 Cb 0.19 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hb9 h LEU 993 CO 0.01 0.67 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.64 3hb9 h LEU 994 N -0.93 0.00 0.07 2.25 3.38 -1.17 -1.48 115.31 117.42 3hb9 h LEU 994 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3hb9 h LEU 994 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hb9 h LEU 994 CO 0.01 0.07 -1.12 -0.33 0.09 0.00 0.00 178.44 177.16 3hb9 h GLU 995 N 0.00 0.14 -0.10 1.13 5.08 -1.32 -2.42 114.58 117.09 3hb9 h GLU 995 Ca -0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3hb9 h GLU 995 Cb 0.32 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hb9 h GLU 995 CO 0.01 1.11 0.01 0.93 -1.00 0.00 0.00 179.01 180.08 3hb9 h GLU 996 N 0.04 0.17 -0.61 2.33 4.39 -1.35 -3.28 114.58 116.27 3hb9 h GLU 996 Ca -0.07 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3hb9 h GLU 996 Cb 1.87 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.48 3hb9 h GLU 996 CO 0.17 0.39 0.25 0.93 -1.16 0.00 0.00 179.01 179.59 3hb9 h GLU 997 N -0.07 0.91 0.00 2.33 5.08 -1.35 -3.46 114.58 118.02 3hb9 h GLU 997 Ca 0.03 -0.16 -0.43 0.00 -1.00 0.00 0.00 59.36 57.80 3hb9 h GLU 997 Cb 0.30 -0.15 0.04 0.00 0.50 0.00 0.00 28.75 29.45 3hb9 h GLU 997 CO 0.00 0.77 0.00 1.04 -1.00 0.00 0.00 179.01 179.82 3hb9 n GLN 998 N -4.46 0.39 -0.27 2.33 6.02 -0.91 -5.00 117.38 115.47 3hb9 n GLN 998 Ca 0.04 -2.68 0.06 0.00 -0.01 0.00 0.00 57.00 54.41 3hb9 n GLN 998 Cb 0.16 -0.36 0.20 0.00 1.02 0.00 0.00 30.24 31.27 3hb9 n GLN 998 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 3hb9 h GLN 999 N 0.00 0.44 0.00 -1.09 -0.00 -1.88 -3.46 115.11 109.12 3hb9 h GLN 999 Ca -0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 3hb9 h GLN 999 Cb 1.12 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.50 3hb9 h GLN 999 CO 0.34 0.29 0.00 0.41 -0.00 0.00 0.00 178.83 179.87 3hb9 n GLY 1000N -1.33 -0.77 3.71 0.06 0.00 -1.26 -5.04 105.19 100.56 3hb9 n GLY 1000Ca 0.15 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.31 3hb9 n GLY 1000CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hb9 n PRO 1001N 0.00 2.36 -4.37 1.61 -0.04 -1.26 -4.49 135.00 128.80 3hb9 n PRO 1001Ca 0.00 0.84 -0.20 0.00 -0.04 0.00 0.00 63.50 64.10 3hb9 n PRO 1001Cb 0.00 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 30.77 3hb9 n PRO 1001CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hb9 s VAL 1002N -0.05 1.05 0.59 0.52 1.01 -1.26 -5.06 120.40 117.20 3hb9 s VAL 1002Ca 0.66 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3hb9 s VAL 1002Cb -0.57 -0.95 0.05 0.00 0.00 0.00 0.00 36.38 34.91 3hb9 s VAL 1002CO 0.49 0.04 0.83 0.42 0.00 0.00 0.00 175.10 176.88 3hb9 s THR 1003N -0.76 2.55 0.26 3.92 -4.23 -1.26 -4.99 115.64 111.13 3hb9 s THR 1003Ca 0.02 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 3hb9 s THR 1003Cb -0.07 -2.93 0.04 0.00 1.34 0.00 0.00 72.50 70.88 3hb9 s THR 1003CO 0.01 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.43 3hb9 h GLU 1004N -0.07 0.47 -0.42 3.99 4.39 -2.01 -2.60 114.58 118.33 3hb9 h GLU 1004Ca -0.41 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3hb9 h GLU 1004Cb 1.29 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3hb9 h GLU 1004CO 0.51 0.74 0.28 1.96 -1.16 0.00 0.00 179.01 181.34 3hb9 h GLN 1005N 0.40 0.55 -0.08 2.33 4.20 -1.99 -1.22 115.11 119.31 3hb9 h GLN 1005Ca 0.05 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.77 3hb9 h GLN 1005Cb 0.77 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 3hb9 h GLN 1005CO 0.06 0.36 -0.26 -0.44 -0.67 0.00 0.00 178.83 177.89 3hb9 h ASP 1006N 0.56 -0.78 -0.22 1.46 3.32 -1.92 -0.77 116.42 118.07 3hb9 h ASP 1006Ca 0.15 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.37 3hb9 h ASP 1006Cb -0.06 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3hb9 h ASP 1006CO -0.03 -0.31 -0.16 0.40 -1.72 0.00 0.00 179.24 177.41 3hb9 h ILE 1007N -0.36 0.55 -0.03 0.35 2.04 -1.07 0.18 117.51 119.17 3hb9 h ILE 1007Ca 0.08 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 3hb9 h ILE 1007Cb 0.48 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3hb9 h ILE 1007CO -0.28 0.00 -0.62 -0.29 0.00 0.00 0.00 178.15 176.96 3hb9 h ILE 1008N -0.16 1.42 -0.59 -0.67 6.09 -1.16 -2.36 117.51 120.09 3hb9 h ILE 1008Ca 0.13 -2.08 -0.09 0.00 -1.37 0.00 0.00 64.86 61.44 3hb9 h ILE 1008Cb 0.34 2.10 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 3hb9 h ILE 1008CO -0.31 0.60 -0.00 0.28 -3.07 0.00 0.00 178.15 175.65 3hb9 h SER 1009N 0.08 1.00 0.15 2.19 0.02 -0.67 -2.23 113.55 114.09 3hb9 h SER 1009Ca -0.01 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3hb9 h SER 1009Cb 1.12 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3hb9 h SER 1009CO 0.09 1.05 -0.07 0.22 -1.14 0.00 0.00 176.83 176.98 3hb9 h TYR 1010N 0.94 -0.18 -0.94 3.45 3.20 -0.84 -1.49 116.97 121.10 3hb9 h TYR 1010Ca 0.17 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.17 3hb9 h TYR 1010Cb 0.54 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 3hb9 h TYR 1010CO 0.04 -0.02 0.56 0.28 -1.64 0.00 0.00 178.16 177.38 3hb9 h VAL 1011N -0.31 0.82 -0.01 1.81 2.07 -1.31 0.17 116.25 119.50 3hb9 h VAL 1011Ca -0.02 -0.28 -0.25 0.00 0.82 0.00 0.00 66.70 66.96 3hb9 h VAL 1011Cb 0.24 -0.08 0.02 0.00 -1.52 0.00 0.00 31.29 29.95 3hb9 h VAL 1011CO 0.03 0.15 -1.00 -0.07 0.02 0.00 0.00 177.57 176.71 3hb9 h LEU 1012N 0.83 0.81 -6.05 2.57 3.38 -1.36 -3.40 115.31 112.10 3hb9 h LEU 1012Ca 0.50 -0.64 -0.56 0.00 0.09 0.00 0.00 57.88 57.26 3hb9 h LEU 1012Cb 0.61 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 40.72 3hb9 h LEU 1012CO -0.31 1.44 -1.09 -1.22 0.09 0.00 0.00 178.44 177.35 3hb9 n TYR 1013N -3.83 -0.36 0.05 1.13 4.02 -0.57 -4.52 117.16 113.09 3hb9 n TYR 1013Ca -0.10 -3.54 -0.14 0.00 -0.01 0.00 0.00 57.90 54.11 3hb9 n TYR 1013Cb 0.86 -0.28 -0.09 0.00 -0.02 0.00 0.00 39.34 39.81 3hb9 n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3hb9 h PRO 1014N 4.19 -0.57 -0.18 -0.72 0.11 -0.89 0.15 132.00 134.10 3hb9 h PRO 1014Ca 0.09 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3hb9 h PRO 1014Cb 0.88 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3hb9 h PRO 1014CO 0.46 -0.38 0.06 0.87 -0.21 0.00 0.00 178.00 178.80 3hb9 h LYS 1015N -0.59 0.27 -0.24 1.05 1.57 -1.96 -1.55 116.57 115.13 3hb9 h LYS 1015Ca 0.01 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3hb9 h LYS 1015Cb 0.63 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3hb9 h LYS 1015CO -0.31 0.37 0.01 0.28 -0.57 0.00 0.00 179.45 179.24 3hb9 h VAL 1016N 0.12 0.84 -0.39 0.50 2.07 -1.92 -0.47 116.25 117.00 3hb9 h VAL 1016Ca 0.06 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3hb9 h VAL 1016Cb 0.21 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3hb9 h VAL 1016CO -0.00 0.02 0.15 0.22 0.02 0.00 0.00 177.57 177.97 3hb9 h TYR 1017N 0.09 0.26 -0.61 1.57 3.20 -0.58 -1.23 116.97 119.67 3hb9 h TYR 1017Ca 0.11 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3hb9 h TYR 1017Cb 0.14 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3hb9 h TYR 1017CO -0.18 0.11 0.30 0.93 -1.64 0.00 0.00 178.16 177.68 3hb9 h GLU 1018N 0.31 0.53 -0.41 1.82 4.39 -0.63 -1.09 114.58 119.51 3hb9 h GLU 1018Ca 0.18 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 3hb9 h GLU 1018Cb 0.14 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3hb9 h GLU 1018CO -0.17 0.35 -0.03 1.96 -1.16 0.00 0.00 179.01 179.96 3hb9 h GLN 1019N 0.55 0.67 -0.45 2.33 4.20 -0.80 -2.11 115.11 119.50 3hb9 h GLN 1019Ca 0.29 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3hb9 h GLN 1019Cb 0.25 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3hb9 h GLN 1019CO -0.22 0.71 0.19 -0.92 -0.67 0.00 0.00 178.83 177.92 3hb9 h TYR 1020N 0.63 0.68 -0.07 2.96 3.20 -0.20 -1.37 116.97 122.79 3hb9 h TYR 1020Ca 0.12 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3hb9 h TYR 1020Cb 0.44 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3hb9 h TYR 1020CO 0.02 0.57 -0.16 0.82 -1.64 0.00 0.00 178.16 177.77 3hb9 h ILE 1021N 0.58 1.16 -0.49 1.81 1.08 -1.04 0.11 117.51 120.72 3hb9 h ILE 1021Ca 0.15 -0.73 -0.13 0.00 -0.39 0.00 0.00 64.86 63.76 3hb9 h ILE 1021Cb 0.17 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3hb9 h ILE 1021CO -0.01 0.22 -0.20 1.56 -0.69 0.00 0.00 178.15 179.03 3hb9 h GLN 1022N 0.11 1.01 -0.26 2.37 1.08 -0.93 -1.17 115.11 117.32 3hb9 h GLN 1022Ca 0.02 -0.42 -0.14 0.00 -1.45 0.00 0.00 58.65 56.65 3hb9 h GLN 1022Cb 0.36 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hb9 h GLN 1022CO 0.02 1.10 -0.40 1.15 -0.95 0.00 0.00 178.83 179.76 3hb9 h THR 1023N 0.87 1.30 -0.80 -0.54 2.02 -0.72 -2.72 112.91 112.32 3hb9 h THR 1023Ca 0.11 -1.60 0.03 0.00 0.77 0.00 0.00 66.41 65.73 3hb9 h THR 1023Cb 0.78 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 3hb9 h THR 1023CO 0.06 0.51 0.51 -0.09 0.37 0.00 0.00 175.52 176.89 3hb9 h ARG 1024N 0.45 0.97 -0.80 6.66 2.43 -0.73 0.22 114.38 123.58 3hb9 h ARG 1024Ca 0.02 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hb9 h ARG 1024Cb 1.00 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3hb9 h ARG 1024CO 0.09 0.64 0.53 -0.91 -1.51 0.00 0.00 179.97 178.81 3hb9 h ASN 1025N 1.00 0.91 0.00 -3.80 -0.26 -1.18 -0.68 115.58 111.56 3hb9 h ASN 1025Ca 0.32 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.00 3hb9 h ASN 1025Cb 0.01 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 3hb9 h ASN 1025CO -0.11 0.65 -0.25 -0.61 -1.06 0.00 0.00 177.43 176.04 3hb9 h GLN 1026N 1.07 0.00 -0.00 0.81 4.15 -0.93 -3.41 115.11 116.79 3hb9 h GLN 1026Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.72 3hb9 h GLN 1026Cb -0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3hb9 h GLN 1026CO -0.07 0.75 -0.37 0.66 -1.93 0.00 0.00 178.83 177.88 3hb9 n TYR 1027N -4.61 0.00 -4.02 3.99 0.53 0.68 -4.71 117.16 109.02 3hb9 n TYR 1027Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.76 3hb9 n TYR 1027Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.72 3hb9 n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hb9 n GLY 1028N 1.10 -0.42 3.52 2.72 0.00 -0.26 -4.04 105.19 107.81 3hb9 n GLY 1028Ca 0.03 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3hb9 n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hb9 s ASN 1029N -4.00 6.19 0.38 1.61 3.84 -1.26 -4.46 114.94 117.25 3hb9 s ASN 1029Ca 0.00 -0.56 0.21 0.00 0.21 0.00 0.00 52.86 52.71 3hb9 s ASN 1029Cb 0.00 -2.51 0.37 0.00 -0.55 0.00 0.00 41.25 38.56 3hb9 s ASN 1029CO 0.00 -1.66 1.60 -0.07 -2.79 0.00 0.00 177.10 174.17 3hb9 h LEU 1030N 12.34 0.00 -2.70 3.21 3.38 -1.82 -3.32 115.31 126.40 3hb9 h LEU 1030Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hb9 h LEU 1030Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hb9 h LEU 1030CO 1.23 0.23 0.07 0.77 0.09 0.00 0.00 178.44 180.83 3hb9 h SER 1031N 0.00 0.00 1.64 -0.43 4.64 -1.89 -2.22 113.55 115.29 3hb9 h SER 1031Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3hb9 h SER 1031Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3hb9 h SER 1031CO 0.03 0.00 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.61 3hb9 h LEU 1032N 0.00 0.00-10.09 5.97 3.38 -1.93 -3.38 115.31 109.27 3hb9 h LEU 1032Ca 0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 3hb9 h LEU 1032Cb 0.14 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.02 3hb9 h LEU 1032CO -0.00 0.31 0.51 -0.76 0.09 0.00 0.00 178.44 178.59 3hb9 s LEU 1033N -6.39 3.69 0.38 1.67 1.43 -0.84 -4.57 118.68 114.06 3hb9 s LEU 1033Ca 0.05 2.53 -0.24 0.00 -1.03 0.00 0.00 54.13 55.44 3hb9 s LEU 1033Cb 0.07 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 3hb9 s LEU 1033CO 0.71 -1.68 0.97 1.51 0.23 0.00 0.00 176.35 178.10 3hb9 s ASP 1034N -1.39 7.06 0.19 2.29 1.47 -1.26 -4.82 116.67 120.21 3hb9 s ASP 1034Ca 0.77 1.84 -0.16 0.00 1.18 0.00 0.00 52.55 56.18 3hb9 s ASP 1034Cb -0.34 -2.57 0.17 0.00 -0.34 0.00 0.00 42.92 39.83 3hb9 s ASP 1034CO 0.38 -0.27 1.63 0.74 0.68 0.00 0.00 175.17 178.33 3hb9 h THR 1035N 2.28 0.40 -0.94 2.11 2.02 -1.96 0.71 112.91 117.54 3hb9 h THR 1035Ca -0.48 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.82 3hb9 h THR 1035Cb 1.19 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3hb9 h THR 1035CO 0.63 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 176.47 3hb9 h PRO 1036N -0.05 0.87 -0.11 6.66 0.11 -1.93 0.10 132.00 137.64 3hb9 h PRO 1036Ca 0.25 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.10 3hb9 h PRO 1036Cb 0.43 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3hb9 h PRO 1036CO -0.57 0.57 -0.78 1.15 -0.21 0.00 0.00 178.00 178.16 3hb9 h THR 1037N 0.89 1.32 -0.27 -1.15 2.02 -1.19 -0.24 112.91 114.30 3hb9 h THR 1037Ca 0.45 -2.07 0.02 0.00 0.77 0.00 0.00 66.41 65.58 3hb9 h THR 1037Cb 0.50 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 3hb9 h THR 1037CO -0.22 0.64 0.11 0.15 0.37 0.00 0.00 175.52 176.57 3hb9 h PHE 1038N 0.42 0.20 0.00 3.16 3.57 -0.13 0.14 116.94 124.30 3hb9 h PHE 1038Ca -0.05 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.25 3hb9 h PHE 1038Cb 1.40 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 3hb9 h PHE 1038CO 0.07 0.10 -1.01 0.74 -2.23 0.00 0.00 178.31 175.98 3hb9 h PHE 1039N 0.24 0.00 0.00 0.41 0.05 -0.98 -3.41 116.94 113.25 3hb9 h PHE 1039Ca 0.11 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.90 3hb9 h PHE 1039Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.01 3hb9 h PHE 1039CO -0.12 0.98 -0.44 1.19 -0.18 0.00 0.00 178.31 179.75 3hb9 n PHE 1040N -3.34 0.00 -0.43 -0.55 3.01 -0.10 -4.55 117.46 111.50 3hb9 n PHE 1040Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hb9 n PHE 1040Cb 0.94 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.41 3hb9 n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 1041N 1.49 0.33 2.94 1.37 0.00 0.48 -4.18 105.19 107.61 3hb9 n GLY 1041Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 3hb9 n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hb9 s MET 1042N 0.00 0.19 0.52 1.61 -1.94 -1.26 -4.37 119.30 114.05 3hb9 s MET 1042Ca 0.00 -0.34 -0.04 0.00 -1.71 0.00 0.00 55.69 53.60 3hb9 s MET 1042Cb 0.00 0.02 -0.01 0.00 2.01 0.00 0.00 34.83 36.86 3hb9 s MET 1042CO 0.00 -0.02 0.80 -0.98 -0.01 0.00 0.00 175.02 174.81 3hb9 s ARG 1043N -0.79 3.14 0.27 2.03 1.70 -1.26 -4.92 118.95 119.13 3hb9 s ARG 1043Ca -0.08 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 3hb9 s ARG 1043Cb -0.05 -2.38 -0.11 0.00 -0.57 0.00 0.00 34.95 31.83 3hb9 s ARG 1043CO -0.00 -0.43 1.56 -0.80 -1.08 0.00 0.00 175.30 174.55 3hb9 s ASN 1044N -4.22 6.45 0.00 -2.89 0.02 -1.26 -2.18 114.94 110.86 3hb9 s ASN 1044Ca 0.50 2.86 0.00 0.00 -1.02 0.00 0.00 52.86 55.20 3hb9 s ASN 1044Cb -0.10 -2.63 0.00 0.00 0.02 0.00 0.00 41.25 38.54 3hb9 s ASN 1044CO 0.43 -0.86 0.00 0.61 0.02 0.00 0.00 177.10 177.30 3hb9 n GLY 1045N 2.35 0.55 3.84 0.66 0.00 0.12 -5.02 105.19 107.68 3hb9 n GLY 1045Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3hb9 n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hb9 s GLU 1046N -0.03 3.97 -0.14 1.61 2.12 -0.93 -4.90 118.70 120.40 3hb9 s GLU 1046Ca 0.00 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.80 3hb9 s GLU 1046Cb 0.00 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 3hb9 s GLU 1046CO 0.00 0.49 -0.14 0.99 -0.54 0.00 0.00 175.26 176.06 3hb9 s THR 1047N -1.44 2.87 -0.05 -1.70 2.01 -1.26 -1.51 115.64 114.55 3hb9 s THR 1047Ca 0.37 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.72 3hb9 s THR 1047Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 3hb9 s THR 1047CO 0.19 0.52 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.70 3hb9 s VAL 1048N 0.59 2.12 -0.08 3.82 1.01 0.10 -4.97 120.40 123.00 3hb9 s VAL 1048Ca -0.08 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 3hb9 s VAL 1048Cb -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3hb9 s VAL 1048CO 0.03 0.57 -0.04 -1.61 0.00 0.00 0.00 175.10 174.05 3hb9 s GLU 1049N -0.30 2.90 -0.23 2.72 2.02 -1.26 -0.69 118.70 123.85 3hb9 s GLU 1049Ca 0.01 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3hb9 s GLU 1049Cb -0.13 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.47 3hb9 s GLU 1049CO 0.02 0.64 -0.09 0.42 0.02 0.00 0.00 175.26 176.28 3hb9 s ILE 1050N -0.74 1.75 0.09 -1.63 1.01 -0.24 -4.82 121.20 116.61 3hb9 s ILE 1050Ca 0.11 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 3hb9 s ILE 1050Cb -0.11 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 3hb9 s ILE 1050CO 0.02 0.02 1.09 -0.70 0.00 0.00 0.00 174.94 175.37 3hb9 s GLU 1051N 1.31 4.55 0.04 2.79 2.56 -1.26 -1.01 118.70 127.69 3hb9 s GLU 1051Ca -0.05 1.64 -0.03 0.00 0.00 0.00 0.00 54.97 56.53 3hb9 s GLU 1051Cb -0.18 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.59 3hb9 s GLU 1051CO -0.07 -0.04 -0.06 -0.89 -0.56 0.00 0.00 175.26 173.64 3hb9 n ILE 1052N 3.27 1.16 -4.02 -3.70 5.41 -0.89 -4.95 119.36 115.64 3hb9 n ILE 1052Ca 0.05 0.33 -0.01 0.00 1.00 0.00 0.00 62.75 64.13 3hb9 n ILE 1052Cb 0.48 -1.66 -0.00 0.00 -0.71 0.00 0.00 39.64 37.74 3hb9 n ILE 1052CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3hb9 n ASP 1053N -3.56 1.48 -4.68 4.38 10.43 -1.23 -5.01 116.55 118.36 3hb9 n ASP 1053Ca -0.02 -1.07 -0.42 0.00 2.57 0.00 0.00 54.79 55.85 3hb9 n ASP 1053Cb 0.08 0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.04 3hb9 n ASP 1053CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3hb9 s LYS 1054N -2.05 4.18 -1.34 -1.24 1.02 -1.26 -2.92 119.74 116.13 3hb9 s LYS 1054Ca 0.00 2.35 -0.01 0.00 0.02 0.00 0.00 55.97 58.33 3hb9 s LYS 1054Cb 0.00 -3.74 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3hb9 s LYS 1054CO 0.00 -0.79 0.68 0.41 -0.92 0.00 0.00 175.35 174.74 3hb9 n GLY 1055N 4.10 -0.30 2.30 -3.33 0.00 -1.26 -4.92 105.19 101.78 3hb9 n GLY 1055Ca 0.17 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 3hb9 n GLY 1055CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hb9 n LYS 1056N -4.33 0.98 -4.60 1.61 4.76 -1.15 -5.10 118.16 110.33 3hb9 n LYS 1056Ca -0.27 -3.09 -0.33 0.00 -2.87 0.00 0.00 58.31 51.75 3hb9 n LYS 1056Cb 0.67 -1.57 -0.11 0.00 -1.84 0.00 0.00 35.03 32.17 3hb9 n LYS 1056CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3hb9 s ARG 1057N -1.89 2.65 -0.19 1.97 1.70 -1.26 -2.09 118.95 119.85 3hb9 s ARG 1057Ca 0.36 -0.62 -0.22 0.00 -0.47 0.00 0.00 55.73 54.79 3hb9 s ARG 1057Cb 0.34 -2.54 -0.02 0.00 -0.57 0.00 0.00 34.95 32.16 3hb9 s ARG 1057CO -0.07 0.64 0.66 -1.17 -1.08 0.00 0.00 175.30 174.28 3hb9 s LEU 1058N -0.99 4.15 -0.34 -1.89 2.96 -0.18 -4.87 118.68 117.53 3hb9 s LEU 1058Ca 0.14 0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 54.85 3hb9 s LEU 1058Cb -0.11 -2.95 0.02 0.00 0.50 0.00 0.00 46.19 43.65 3hb9 s LEU 1058CO 0.03 -0.29 0.16 -0.63 -1.32 0.00 0.00 176.35 174.31 3hb9 s ILE 1059N 1.91 4.41 -0.20 6.68 -1.09 -1.26 -1.08 121.20 130.57 3hb9 s ILE 1059Ca 0.30 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 3hb9 s ILE 1059Cb -0.16 -3.37 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3hb9 s ILE 1059CO 0.11 -0.09 -0.16 -0.63 -1.23 0.00 0.00 174.94 172.94 3hb9 s ILE 1060N 1.55 2.27 -0.12 2.92 -1.09 0.13 -1.14 121.20 125.71 3hb9 s ILE 1060Ca 0.02 -1.00 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 3hb9 s ILE 1060Cb -0.18 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 3hb9 s ILE 1060CO 0.06 0.42 -0.12 -0.75 -1.23 0.00 0.00 174.94 173.32 3hb9 s LYS 1061N 1.28 3.32 -0.30 2.79 2.20 -0.46 0.03 119.74 128.61 3hb9 s LYS 1061Ca 0.03 -0.66 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 3hb9 s LYS 1061Cb -0.14 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.50 3hb9 s LYS 1061CO -0.10 0.27 0.19 -1.17 -0.36 0.00 0.00 175.35 174.18 3hb9 s LEU 1062N 0.21 4.15 -0.06 5.43 2.96 -0.57 -0.78 118.68 130.02 3hb9 s LEU 1062Ca -0.07 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3hb9 s LEU 1062Cb -0.15 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 3hb9 s LEU 1062CO 0.05 -0.13 -0.07 -0.33 -1.32 0.00 0.00 176.35 174.55 3hb9 h GLU 1063N 8.40 0.00 -3.78 1.98 5.08 -1.53 0.33 114.58 125.06 3hb9 h GLU 1063Ca -0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 3hb9 h GLU 1063Cb 1.17 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 3hb9 h GLU 1063CO 0.59 0.00 -0.27 0.95 -1.00 0.00 0.00 179.01 179.28 3hb9 s THR 1064N -1.51 0.07 -0.11 1.13 -4.23 -1.23 -3.94 115.64 105.82 3hb9 s THR 1064Ca -0.06 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3hb9 s THR 1064Cb 0.01 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.11 3hb9 s THR 1064CO 0.09 -0.32 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.06 3hb9 s ILE 1065N -3.94 2.83 1.08 2.99 -1.09 -1.26 -1.08 121.20 120.73 3hb9 s ILE 1065Ca 0.14 -0.76 -0.18 0.00 -2.23 0.00 0.00 60.65 57.63 3hb9 s ILE 1065Cb 0.03 -2.15 0.24 0.00 -1.58 0.00 0.00 42.46 39.00 3hb9 s ILE 1065CO -0.02 0.54 1.24 -0.94 -1.23 0.00 0.00 174.94 174.53 3hb9 s SER 1066N 0.13 2.07 0.51 3.58 1.04 0.36 -4.98 113.70 116.40 3hb9 s SER 1066Ca -0.08 0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.55 3hb9 s SER 1066Cb -0.15 -0.48 -0.08 0.00 0.10 0.00 0.00 66.02 65.41 3hb9 s SER 1066CO 0.05 -3.39 1.00 -1.61 0.98 0.00 0.00 173.24 170.27 3hb9 s GLU 1067N -5.71 3.85 0.21 4.02 0.41 -1.26 -4.63 118.70 115.59 3hb9 s GLU 1067Ca 0.73 1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 56.12 3hb9 s GLU 1067Cb -0.06 -2.12 -0.10 0.00 -1.78 0.00 0.00 34.13 30.08 3hb9 s GLU 1067CO 0.54 -0.36 1.44 -2.14 -0.49 0.00 0.00 175.26 174.25 3hb9 s PRO 1068N -3.70 4.28 0.29 0.39 0.02 -1.26 -4.57 135.00 130.45 3hb9 s PRO 1068Ca 0.62 2.25 -0.05 0.00 0.02 0.00 0.00 61.00 63.85 3hb9 s PRO 1068Cb -0.12 -3.14 0.07 0.00 0.02 0.00 0.00 34.50 31.32 3hb9 s PRO 1068CO 0.26 -0.43 0.38 -0.40 -0.33 0.00 0.00 177.00 176.48 3hb9 n ASP 1069N 2.80 -0.07 -0.36 2.53 3.85 -0.33 -4.77 116.55 120.21 3hb9 n ASP 1069Ca 0.08 -1.10 0.28 0.00 -0.71 0.00 0.00 54.79 53.34 3hb9 n ASP 1069Cb 0.41 -0.29 0.57 0.00 -1.35 0.00 0.00 41.12 40.45 3hb9 n ASP 1069CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3hb9 h GLU 1070N 0.00 0.27 -0.54 0.11 5.08 -1.95 0.32 114.58 117.86 3hb9 h GLU 1070Ca -0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3hb9 h GLU 1070Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hb9 h GLU 1070CO 0.09 0.18 0.00 0.09 -1.00 0.00 0.00 179.01 178.36 3hb9 n ASN 1071N -4.60 2.95 0.00 1.42 4.13 -1.26 -4.91 115.26 112.99 3hb9 n ASN 1071Ca 0.29 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.49 3hb9 n ASN 1071Cb 1.06 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 3hb9 n ASN 1071CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hb9 n GLY 1072N 1.27 0.36 3.70 7.41 0.00 0.11 -4.91 105.19 113.13 3hb9 n GLY 1072Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hb9 n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hb9 s ASN 1073N -2.11 7.26 -0.11 1.61 0.01 -1.26 -2.26 114.94 118.09 3hb9 s ASN 1073Ca 0.00 1.68 -0.13 0.00 -0.71 0.00 0.00 52.86 53.70 3hb9 s ASN 1073Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 3hb9 s ASN 1073CO 0.00 -0.39 0.29 -0.13 -1.51 0.00 0.00 177.10 175.36 3hb9 s ARG 1074N 1.49 3.99 -0.18 -0.60 0.52 0.10 -1.18 118.95 123.10 3hb9 s ARG 1074Ca 0.52 0.13 -0.19 0.00 -0.52 0.00 0.00 55.73 55.67 3hb9 s ARG 1074Cb -0.21 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 3hb9 s ARG 1074CO 0.24 0.47 0.54 0.99 0.02 0.00 0.00 175.30 177.56 3hb9 s THR 1075N -0.25 5.11 -0.22 0.02 2.01 -1.26 -1.47 115.64 119.57 3hb9 s THR 1075Ca 0.18 1.01 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 3hb9 s THR 1075Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3hb9 s THR 1075CO 0.06 0.20 0.08 -0.63 -0.69 0.00 0.00 174.62 173.64 3hb9 s ILE 1076N 1.45 4.61 -0.49 1.82 1.01 0.98 -0.49 121.20 130.09 3hb9 s ILE 1076Ca 0.26 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.65 3hb9 s ILE 1076Cb -0.16 -3.13 0.06 0.00 0.01 0.00 0.00 42.46 39.25 3hb9 s ILE 1076CO 0.10 0.38 0.52 -0.31 0.00 0.00 0.00 174.94 175.64 3hb9 s TYR 1077N 1.09 3.13 0.37 3.97 1.51 -0.24 -1.58 117.35 125.61 3hb9 s TYR 1077Ca 0.05 -0.70 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 3hb9 s TYR 1077Cb -0.14 -3.37 -0.01 0.00 -0.11 0.00 0.00 41.96 38.33 3hb9 s TYR 1077CO 0.03 -0.92 0.42 0.71 -1.11 0.00 0.00 175.55 174.68 3hb9 s TYR 1078N 2.20 2.90 -0.30 2.71 4.12 0.72 -1.31 117.35 128.39 3hb9 s TYR 1078Ca 0.10 -0.34 -0.03 0.00 0.02 0.00 0.00 57.07 56.82 3hb9 s TYR 1078Cb -0.21 -2.06 0.11 0.00 -1.52 0.00 0.00 41.96 38.27 3hb9 s TYR 1078CO 0.10 -0.07 0.14 0.00 0.02 0.00 0.00 175.55 175.74 3hb9 s ALA 1079N -2.31 0.66 -0.21 3.71 0.00 0.04 -1.95 121.76 121.70 3hb9 s ALA 1079Ca 0.47 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3hb9 s ALA 1079Cb -0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 3hb9 s ALA 1079CO 0.30 -1.72 -0.01 1.41 0.00 0.00 0.00 175.76 175.74 3hb9 s MET 1080N 1.95 3.53 -1.44 0.00 0.00 0.65 -1.35 119.30 122.64 3hb9 s MET 1080Ca 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 55.69 55.20 3hb9 s MET 1080Cb -0.17 -3.08 0.02 0.00 0.00 0.00 0.00 34.83 31.60 3hb9 s MET 1080CO -0.31 -0.08 0.36 0.09 0.00 0.00 0.00 175.02 175.08 3hb9 n ASN 1081N 4.50 -5.08 0.00 1.11 3.02 -0.29 -1.36 115.26 117.16 3hb9 n ASN 1081Ca -0.17 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3hb9 n ASN 1081Cb 0.51 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 3hb9 n ASN 1081CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hb9 n GLY 1082N -1.22 2.98 3.71 7.41 0.00 -1.26 -5.01 105.19 111.80 3hb9 n GLY 1082Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3hb9 n GLY 1082CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hb9 s GLN 1083N -0.23 4.52 0.16 1.61 0.74 -0.46 -5.03 119.66 120.97 3hb9 s GLN 1083Ca 0.00 1.27 -0.30 0.00 0.05 0.00 0.00 55.36 56.38 3hb9 s GLN 1083Cb 0.00 -3.46 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 3hb9 s GLN 1083CO 0.00 -0.03 1.16 0.00 -0.55 0.00 0.00 175.29 175.87 3hb9 s ALA 1084N 0.99 3.40 0.04 1.58 0.00 -1.26 -0.26 121.76 126.24 3hb9 s ALA 1084Ca 0.48 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 3hb9 s ALA 1084Cb -0.20 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3hb9 s ALA 1084CO 0.25 -0.32 -0.03 1.03 0.00 0.00 0.00 175.76 176.69 3hb9 s ARG 1085N -0.02 0.49 -0.12 0.00 0.52 -0.82 -4.93 118.95 114.08 3hb9 s ARG 1085Ca 0.53 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3hb9 s ARG 1085Cb -0.31 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.34 3hb9 s ARG 1085CO 0.34 -0.08 -0.13 1.03 0.02 0.00 0.00 175.30 176.48 3hb9 s ARG 1086N -2.90 2.10 -0.01 3.54 0.52 -1.26 -0.20 118.95 120.75 3hb9 s ARG 1086Ca -0.02 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 3hb9 s ARG 1086Cb 0.00 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 3hb9 s ARG 1086CO -0.06 -0.15 -0.11 0.42 0.02 0.00 0.00 175.30 175.42 3hb9 s ILE 1087N 1.24 3.32 -0.23 1.52 1.09 -0.61 -4.95 121.20 122.59 3hb9 s ILE 1087Ca -0.02 -0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 58.66 3hb9 s ILE 1087Cb -0.14 -2.39 -0.02 0.00 -1.06 0.00 0.00 42.46 38.85 3hb9 s ILE 1087CO -0.05 0.45 0.01 -0.31 -0.10 0.00 0.00 174.94 174.93 3hb9 s TYR 1088N -0.90 3.02 -0.05 3.97 1.51 -1.26 -0.02 117.35 123.62 3hb9 s TYR 1088Ca 0.15 -0.67 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 3hb9 s TYR 1088Cb -0.11 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 3hb9 s TYR 1088CO 0.05 -0.43 -0.22 0.42 -1.11 0.00 0.00 175.55 174.25 3hb9 s ILE 1089N 1.46 1.82 -0.15 2.71 -1.09 -0.54 -4.95 121.20 120.46 3hb9 s ILE 1089Ca 0.05 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 3hb9 s ILE 1089Cb -0.15 -1.55 -0.02 0.00 -1.58 0.00 0.00 42.46 39.17 3hb9 s ILE 1089CO 0.00 0.51 1.30 -0.75 -1.23 0.00 0.00 174.94 174.77 3hb9 s LYS 1090N -0.08 4.23 -0.05 2.79 2.47 -1.26 -0.72 119.74 127.12 3hb9 s LYS 1090Ca -0.04 1.72 -0.26 0.00 -1.56 0.00 0.00 55.97 55.83 3hb9 s LYS 1090Cb -0.13 -3.78 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 3hb9 s LYS 1090CO 0.03 -0.71 0.83 0.34 0.16 0.00 0.00 175.35 176.00 3hb9 s ASP 1091N 2.09 7.14 -0.81 1.43 3.68 -0.96 -4.90 116.67 124.34 3hb9 s ASP 1091Ca 0.57 1.38 -0.01 0.00 2.13 0.00 0.00 52.55 56.62 3hb9 s ASP 1091Cb -0.23 -2.48 0.36 0.00 -1.45 0.00 0.00 42.92 39.11 3hb9 s ASP 1091CO 0.17 -0.21 1.82 -0.62 0.13 0.00 0.00 175.17 176.46 3hb9 n GLU 1092N 4.01 3.28 -3.66 4.34 1.02 -1.26 -4.94 120.64 123.43 3hb9 n GLU 1092Ca 0.02 -3.89 -0.07 0.00 -0.02 0.00 0.00 57.16 53.21 3hb9 n GLU 1092Cb 0.51 -2.30 -0.08 0.00 -0.02 0.00 0.00 31.44 29.55 3hb9 n GLU 1092CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hb9 s ASN 1093N -1.57 -0.58 -0.03 1.62 -0.87 -1.26 -5.08 114.94 107.16 3hb9 s ASN 1093Ca 0.49 1.17 -0.09 0.00 -1.57 0.00 0.00 52.86 52.87 3hb9 s ASN 1093Cb 0.39 1.53 0.01 0.00 -0.02 0.00 0.00 41.25 43.16 3hb9 s ASN 1093CO -0.33 -0.22 0.21 0.00 -2.57 0.00 0.00 177.10 174.18 3hb9 s ALA 1142N 2.45 -0.51 -1.08 0.60 0.00 -1.03 -5.14 121.76 117.05 3hb9 s ALA 1142Ca -0.05 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 3hb9 s ALA 1142Cb -0.11 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.94 3hb9 s ALA 1142CO -0.15 -0.18 0.11 0.00 0.00 0.00 0.00 175.76 175.54 3hb9 n MET 1143N 1.98 -0.83 -1.28 0.00 0.00 -1.26 -1.69 117.12 114.04 3hb9 n MET 1143Ca -0.19 0.03 -0.10 0.00 0.00 0.00 0.00 57.70 57.44 3hb9 n MET 1143Cb 0.57 -2.37 -0.04 0.00 0.00 0.00 0.00 33.22 31.37 3hb9 n MET 1143CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3hb9 n LYS 1144N -3.71 -1.00 0.00 3.17 5.02 -1.26 -5.60 118.16 114.79 3hb9 n LYS 1144Ca -0.21 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3hb9 n LYS 1144Cb 0.49 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 3hb9 n LYS 1144CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55