#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnb n PHE 85 N 0.00 2.34 -2.54 -0.67 3.72 -1.26 -4.29 117.46 114.75 1nnb n PHE 85 Ca 0.00 0.50 -0.35 0.00 -0.05 0.00 0.00 57.45 57.55 1nnb n PHE 85 Cb 0.00 -2.45 -0.04 0.00 -0.94 0.00 0.00 39.48 36.06 1nnb n PHE 85 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1nnb s ASN 86 N -0.10 6.44 -0.04 4.37 2.47 -0.01 -4.69 114.94 123.37 1nnb s ASN 86 Ca 0.59 1.95 -0.00 0.00 0.42 0.00 0.00 52.86 55.82 1nnb s ASN 86 Cb -0.58 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 36.68 1nnb s ASN 86 CO 0.58 -0.72 0.01 0.20 -3.72 0.00 0.00 177.10 173.46 1nnb s ASN 87 N -1.88 0.91 -1.21 -4.21 0.01 -1.26 0.11 114.94 107.40 1nnb s ASN 87 Ca 0.65 -0.03 -0.21 0.00 -0.71 0.00 0.00 52.86 52.57 1nnb s ASN 87 Cb -0.18 -0.28 -0.01 0.00 0.41 0.00 0.00 41.25 41.19 1nnb s ASN 87 CO 0.22 -0.15 1.83 -0.76 -1.51 0.00 0.00 177.10 176.72 1nnb s LEU 88 N 1.50 3.40 -0.01 0.60 1.43 -1.26 -4.67 118.68 119.66 1nnb s LEU 88 Ca -0.03 -1.91 0.16 0.00 -1.03 0.00 0.00 54.13 51.32 1nnb s LEU 88 Cb -0.13 -2.58 -0.22 0.00 0.03 0.00 0.00 46.19 43.29 1nnb s LEU 88 CO -0.03 -2.21 0.46 0.35 0.23 0.00 0.00 176.35 175.15 1nnb n THR 89 N 7.19 0.00 -2.71 5.49 -2.24 -1.26 -0.11 114.28 120.64 1nnb n THR 89 Ca 0.46 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1nnb n THR 89 Cb 0.47 0.44 0.08 0.00 -2.10 0.00 0.00 70.33 69.21 1nnb n THR 89 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nnb s LYS 90 N -2.89 2.07 0.51 -0.78 1.02 -1.26 -4.60 119.74 113.81 1nnb s LYS 90 Ca -0.02 -1.15 0.03 0.00 0.02 0.00 0.00 55.97 54.85 1nnb s LYS 90 Cb 0.11 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1nnb s LYS 90 CO 0.66 -1.09 0.18 0.20 -0.92 0.00 0.00 175.35 174.37 1nnb s GLY 91 N -4.63 2.70 0.31 -3.33 0.00 -1.26 -0.39 107.32 100.72 1nnb s GLY 91 Ca 0.63 -0.90 -0.28 0.00 0.00 0.00 0.00 44.72 44.17 1nnb s GLY 91 CO 0.41 -2.07 1.13 1.08 0.00 0.00 0.00 173.10 173.65 1nnb s LEU 92 N -4.04 4.46 0.99 0.66 1.43 -1.26 0.86 118.68 121.77 1nnb s LEU 92 Ca 0.20 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 1nnb s LEU 92 Cb 0.00 -3.73 0.18 0.00 0.03 0.00 0.00 46.19 42.68 1nnb s LEU 92 CO 0.12 -0.29 1.08 0.00 0.23 0.00 0.00 176.35 177.50 1nnb s THR 94 N -2.83 4.26 -0.61 0.00 2.01 -1.26 -4.90 115.64 112.31 1nnb s THR 94 Ca 0.65 1.50 -0.21 0.00 0.31 0.00 0.00 61.69 63.94 1nnb s THR 94 Cb -0.20 -4.05 0.08 0.00 0.01 0.00 0.00 72.50 68.34 1nnb s THR 94 CO 0.59 -0.22 0.84 -0.63 -0.69 0.00 0.00 174.62 174.51 1nnb s ILE 95 N 3.71 4.54 -1.00 1.82 1.01 -1.26 -3.31 121.20 126.72 1nnb s ILE 95 Ca 0.55 -0.49 0.17 0.00 0.00 0.00 0.00 60.65 60.88 1nnb s ILE 95 Cb -0.20 -4.56 -0.15 0.00 0.01 0.00 0.00 42.46 37.55 1nnb s ILE 95 CO 0.16 -1.24 0.78 0.59 0.00 0.00 0.00 174.94 175.23 1nnb n ASN 96 N 7.09 1.02 -1.89 3.58 3.02 0.77 -4.98 115.26 123.87 1nnb n ASN 96 Ca -0.05 -1.01 -0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1nnb n ASN 96 Cb 0.45 0.89 0.01 0.00 -0.61 0.00 0.00 39.78 40.52 1nnb n ASN 96 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nnb n SER 97 N -1.14 -0.51 -4.14 6.41 3.41 -0.51 -4.57 113.62 112.57 1nnb n SER 97 Ca 0.04 -1.20 -0.22 0.00 -0.26 0.00 0.00 58.87 57.23 1nnb n SER 97 Cb 0.29 0.81 -0.14 0.00 -0.26 0.00 0.00 64.21 64.91 1nnb n SER 97 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1nnb s TRP 98 N -3.67 1.32 0.19 7.33 0.52 -1.26 -0.29 118.94 123.08 1nnb s TRP 98 Ca 0.09 -0.29 0.10 0.00 0.02 0.00 0.00 56.10 56.02 1nnb s TRP 98 Cb -0.01 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.45 1nnb s TRP 98 CO 0.01 0.01 -0.16 -3.38 0.02 0.00 0.00 176.95 173.45 1nnb s HIS 99 N -0.54 2.48 0.05 -1.98 -3.43 0.12 -4.89 115.29 107.10 1nnb s HIS 99 Ca 0.04 -0.28 -0.30 0.00 -0.80 0.00 0.00 55.06 53.72 1nnb s HIS 99 Cb -0.07 -1.22 -0.08 0.00 -1.43 0.00 0.00 32.58 29.79 1nnb s HIS 99 CO 0.00 0.51 1.65 -1.50 -2.00 0.00 0.00 174.74 173.41 1nnb s ILE 100 N -1.72 3.13 -0.14 -5.38 1.10 -1.26 -1.99 121.20 114.95 1nnb s ILE 100 Ca 0.23 0.53 -0.14 0.00 -0.51 0.00 0.00 60.65 60.76 1nnb s ILE 100 Cb -0.08 -3.34 -0.06 0.00 0.15 0.00 0.00 42.46 39.13 1nnb s ILE 100 CO 0.13 -0.01 -0.28 0.00 -2.11 0.00 0.00 174.94 172.67 1nnb n TYR 101 N 5.83 0.00 -4.31 3.50 9.36 0.10 -4.81 117.16 126.83 1nnb n TYR 101 Ca 0.16 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.21 1nnb n TYR 101 Cb 0.41 -0.47 -0.10 0.00 -0.63 0.00 0.00 39.34 38.55 1nnb n TYR 101 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1nnb s GLY 102 N -4.85 1.84 -0.30 2.98 0.00 -0.50 -4.95 107.32 101.54 1nnb s GLY 102 Ca -0.24 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 42.48 1nnb s GLY 102 CO 0.35 -1.56 1.32 1.25 0.00 0.00 0.00 173.10 174.46 1nnb s LYS 103 N -3.95 0.07 -0.01 2.90 2.20 -1.26 -0.35 119.74 119.34 1nnb s LYS 103 Ca 0.37 0.11 0.08 0.00 -0.36 0.00 0.00 55.97 56.17 1nnb s LYS 103 Cb 0.06 0.02 -0.11 0.00 -1.51 0.00 0.00 37.83 36.30 1nnb s LYS 103 CO 0.15 -0.01 0.23 -0.40 -0.36 0.00 0.00 175.35 174.96 1nnb n ASP 104 N 2.49 2.14 -4.06 1.43 5.68 -1.17 -4.55 116.55 118.50 1nnb n ASP 104 Ca -0.14 -0.25 -0.34 0.00 -0.50 0.00 0.00 54.79 53.56 1nnb n ASP 104 Cb 0.57 1.23 -0.01 0.00 -1.14 0.00 0.00 41.12 41.77 1nnb n ASP 104 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nnb n ASN 105 N -1.56 -3.87 -0.05 -1.12 3.02 -1.26 -4.09 115.26 106.33 1nnb n ASN 105 Ca -0.00 -0.89 -0.01 0.00 -0.03 0.00 0.00 54.58 53.65 1nnb n ASN 105 Cb 0.18 -3.13 0.27 0.00 -0.61 0.00 0.00 39.78 36.48 1nnb n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nnb h ALA 106 N 0.94 1.34 0.15 5.41 0.00 -1.92 -0.95 119.26 124.23 1nnb h ALA 106 Ca -0.57 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 53.86 1nnb h ALA 106 Cb 1.37 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1nnb h ALA 106 CO 0.73 0.46 -1.35 0.28 0.00 0.00 0.00 179.25 179.38 1nnb h VAL 107 N 0.62 1.39 0.39 0.00 2.07 -1.89 1.92 116.25 120.74 1nnb h VAL 107 Ca 0.14 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 64.70 1nnb h VAL 107 Cb 0.28 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1nnb h VAL 107 CO 0.00 0.87 -0.52 0.03 0.02 0.00 0.00 177.57 177.97 1nnb h ARG 108 N 0.08 -0.90 0.00 1.57 3.08 -1.85 -1.69 114.38 114.67 1nnb h ARG 108 Ca -0.18 0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1nnb h ARG 108 Cb 2.01 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 32.26 1nnb h ARG 108 CO 0.21 -0.60 -0.17 0.82 -1.07 0.00 0.00 179.97 179.15 1nnb h ILE 109 N -0.94 0.67 0.00 2.04 2.04 -1.17 -1.98 117.51 118.17 1nnb h ILE 109 Ca -0.05 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1nnb h ILE 109 Cb 0.85 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1nnb h ILE 109 CO -0.13 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.80 1nnb n GLY 110 N -0.51 -1.27 0.23 5.37 0.00 0.65 -2.14 105.19 107.52 1nnb n GLY 110 Ca -0.01 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1nnb n GLY 110 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nnb h GLU 111 N 0.00 0.00 0.00 1.61 4.22 -0.65 -3.34 114.58 116.42 1nnb h GLU 111 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 1nnb h GLU 111 Cb 0.39 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.44 1nnb h GLU 111 CO 0.00 0.21 -0.70 -3.47 -2.18 0.00 0.00 179.01 172.87 1nnb n ASP 112 N -3.48 0.38 -3.91 1.04 2.03 -0.91 -4.93 116.55 106.77 1nnb n ASP 112 Ca -0.01 -1.93 -0.13 0.00 0.52 0.00 0.00 54.79 53.25 1nnb n ASP 112 Cb 0.38 -0.18 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 1nnb n ASP 112 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1nnb s SER 113 N -1.41 0.44 -1.20 1.67 0.01 -1.04 -5.07 113.70 107.10 1nnb s SER 113 Ca 0.16 -1.37 -0.12 0.00 1.31 0.00 0.00 55.95 55.94 1nnb s SER 113 Cb 0.19 0.48 0.20 0.00 0.21 0.00 0.00 66.02 67.10 1nnb s SER 113 CO -0.08 -0.99 1.46 0.47 0.41 0.00 0.00 173.24 174.51 1nnb n ASP 114 N -0.64 5.32 -4.92 2.44 8.00 -1.26 -4.76 116.55 120.74 1nnb n ASP 114 Ca 0.02 -3.04 -0.30 0.00 0.71 0.00 0.00 54.79 52.19 1nnb n ASP 114 Cb 0.64 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.20 1nnb n ASP 114 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nnb s VAL 115 N 0.60 5.28 -0.06 2.53 1.01 -1.26 -1.38 120.40 127.12 1nnb s VAL 115 Ca 0.40 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1nnb s VAL 115 Cb -0.01 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1nnb s VAL 115 CO -0.01 0.00 0.41 -0.76 0.00 0.00 0.00 175.10 174.75 1nnb s LEU 116 N -2.85 4.38 0.01 3.92 1.43 0.18 -3.00 118.68 122.75 1nnb s LEU 116 Ca 0.37 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.02 1nnb s LEU 116 Cb -0.12 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 1nnb s LEU 116 CO 0.27 0.20 1.62 -0.69 0.23 0.00 0.00 176.35 177.98 1nnb s VAL 117 N -0.34 3.35 0.33 -1.59 1.01 -0.10 -4.85 120.40 118.22 1nnb s VAL 117 Ca 0.23 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1nnb s VAL 117 Cb -0.16 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1nnb s VAL 117 CO 0.11 -0.02 0.09 0.42 0.00 0.00 0.00 175.10 175.69 1nnb s THR 118 N 3.17 0.90 0.18 3.92 -4.23 -1.26 -0.42 115.64 117.90 1nnb s THR 118 Ca 0.72 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.13 1nnb s THR 118 Cb -0.36 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 70.87 1nnb s THR 118 CO 0.31 0.00 0.54 0.54 -0.54 0.00 0.00 174.62 175.46 1nnb n ARG 119 N -0.70 0.55 -3.78 3.99 1.74 -0.92 -4.03 116.66 113.51 1nnb n ARG 119 Ca -0.03 -1.14 -0.34 0.00 -0.77 0.00 0.00 57.85 55.57 1nnb n ARG 119 Cb 0.66 1.47 0.03 0.00 -1.02 0.00 0.00 32.46 33.60 1nnb n ARG 119 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1nnb n GLU 120 N -0.37 -0.96 -1.36 5.56 4.71 -1.26 -2.02 120.64 124.94 1nnb n GLU 120 Ca -0.04 0.41 -0.29 0.00 -0.01 0.00 0.00 57.16 57.24 1nnb n GLU 120 Cb 0.35 -3.59 0.16 0.00 -1.01 0.00 0.00 31.44 27.35 1nnb n GLU 120 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1nnb s PRO 121 N -6.20 0.64 0.18 3.49 0.04 -1.26 -4.06 135.00 127.84 1nnb s PRO 121 Ca 0.43 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 1nnb s PRO 121 Cb -0.18 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1nnb s PRO 121 CO 0.89 -2.55 1.03 1.52 0.04 0.00 0.00 177.00 177.93 1nnb s TYR 122 N -3.15 0.05 0.03 0.56 1.13 0.10 -4.85 117.35 111.23 1nnb s TYR 122 Ca 0.65 -0.44 0.05 0.00 -1.41 0.00 0.00 57.07 55.92 1nnb s TYR 122 Cb -0.16 0.70 -0.02 0.00 -1.10 0.00 0.00 41.96 41.38 1nnb s TYR 122 CO 0.55 -0.92 -0.15 0.08 -2.51 0.00 0.00 175.55 172.60 1nnb s VAL 123 N -2.31 1.17 -0.17 -3.49 1.01 -1.26 -1.02 120.40 114.33 1nnb s VAL 123 Ca 0.20 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1nnb s VAL 123 Cb -0.02 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.37 1nnb s VAL 123 CO 0.05 0.08 0.52 -0.55 0.00 0.00 0.00 175.10 175.20 1nnb s SER 124 N -1.00 -0.53 -0.12 3.32 0.15 -0.86 -4.60 113.70 110.05 1nnb s SER 124 Ca 0.03 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 57.61 1nnb s SER 124 Cb -0.08 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 1nnb s SER 124 CO 0.01 -0.24 -0.02 0.00 1.20 0.00 0.00 173.24 174.19 1nnb s ASP 126 N -0.24 5.76 0.62 0.00 1.11 0.12 -4.47 116.67 119.58 1nnb s ASP 126 Ca 0.05 0.53 0.24 0.00 0.18 0.00 0.00 52.55 53.54 1nnb s ASP 126 Cb -0.13 -1.67 1.11 0.00 1.07 0.00 0.00 42.92 43.31 1nnb s ASP 126 CO 0.02 -0.85 1.58 -0.65 1.18 0.00 0.00 175.17 176.46 1nnb h PRO 127 N 0.13 0.00 0.00 8.23 0.11 -1.97 -3.25 132.00 135.25 1nnb h PRO 127 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nnb h PRO 127 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1nnb h PRO 127 CO 0.59 0.00 -0.55 -0.40 -0.21 0.00 0.00 178.00 177.43 1nnb n ASP 128 N -3.22 2.60 -4.05 -2.05 5.75 -1.26 -4.93 116.55 109.38 1nnb n ASP 128 Ca 0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.79 1nnb n ASP 128 Cb 0.93 0.20 -0.11 0.00 -1.03 0.00 0.00 41.12 41.11 1nnb n ASP 128 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1nnb s GLU 129 N -1.55 0.51 -0.10 0.11 -1.05 -1.23 -5.15 118.70 110.24 1nnb s GLU 129 Ca 0.00 -0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 53.81 1nnb s GLU 129 Cb 0.00 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 1nnb s GLU 129 CO 0.00 -0.06 0.08 0.00 0.95 0.00 0.00 175.26 176.23 1nnb s ARG 131 N -0.99 1.56 0.18 0.00 0.52 -0.76 -4.13 118.95 115.34 1nnb s ARG 131 Ca 0.14 -1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 53.48 1nnb s ARG 131 Cb -0.12 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 1nnb s ARG 131 CO 0.04 -0.23 0.37 -0.06 0.02 0.00 0.00 175.30 175.44 1nnb s PHE 132 N -3.47 3.48 -0.04 -0.53 0.08 -0.50 -2.04 117.98 114.97 1nnb s PHE 132 Ca 0.37 0.36 -0.04 0.00 0.12 0.00 0.00 56.93 57.75 1nnb s PHE 132 Cb 0.08 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1nnb s PHE 132 CO 0.15 0.41 0.11 0.71 -0.10 0.00 0.00 175.22 176.50 1nnb s TYR 133 N -1.80 -0.10 0.15 0.36 1.51 -0.19 -1.13 117.35 116.16 1nnb s TYR 133 Ca 0.38 0.25 -0.24 0.00 -1.01 0.00 0.00 57.07 56.45 1nnb s TYR 133 Cb -0.11 0.03 0.06 0.00 -0.11 0.00 0.00 41.96 41.83 1nnb s TYR 133 CO 0.28 -0.08 0.76 0.00 -1.11 0.00 0.00 175.55 175.40 1nnb s ALA 134 N -0.08 -1.56 -0.43 3.71 0.00 -0.68 0.01 121.76 122.74 1nnb s ALA 134 Ca -0.01 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1nnb s ALA 134 Cb -0.01 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1nnb s ALA 134 CO 0.00 -0.87 0.82 -0.51 0.00 0.00 0.00 175.76 175.20 1nnb s LEU 135 N -2.77 4.16 0.56 0.00 1.43 -0.85 -0.73 118.68 120.48 1nnb s LEU 135 Ca 0.07 0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1nnb s LEU 135 Cb -0.02 -3.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 1nnb s LEU 135 CO -0.04 -0.90 1.06 -0.24 0.23 0.00 0.00 176.35 176.46 1nnb n SER 136 N 6.74 1.26 -1.29 2.29 2.88 0.11 -2.16 113.62 123.45 1nnb n SER 136 Ca 0.03 0.88 0.11 0.00 -1.33 0.00 0.00 58.87 58.56 1nnb n SER 136 Cb 0.48 -1.42 0.31 0.00 -0.75 0.00 0.00 64.21 62.83 1nnb n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nnb n GLN 137 N -0.84 2.84 -2.95 -1.46 1.13 0.44 -2.79 117.38 113.75 1nnb n GLN 137 Ca 0.12 -2.62 -0.12 0.00 -1.94 0.00 0.00 57.00 52.45 1nnb n GLN 137 Cb 0.45 -1.57 0.05 0.00 0.11 0.00 0.00 30.24 29.29 1nnb n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nnb n GLY 138 N 1.46 0.01 3.65 1.08 0.00 -1.04 -4.63 105.19 105.73 1nnb n GLY 138 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1nnb n GLY 138 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nnb s THR 139 N -3.20 0.00 0.35 2.61 -1.32 -1.26 -5.04 115.64 107.79 1nnb s THR 139 Ca 0.13 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.57 1nnb s THR 139 Cb -0.06 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1nnb s THR 139 CO 0.43 0.00 0.63 0.42 -2.21 0.00 0.00 174.62 173.88 1nnb s THR 140 N -1.43 4.99 0.09 5.08 -4.23 -1.26 -0.92 115.64 117.96 1nnb s THR 140 Ca 0.11 0.05 -0.24 0.00 -1.18 0.00 0.00 61.69 60.43 1nnb s THR 140 Cb -0.01 -3.79 -0.13 0.00 1.34 0.00 0.00 72.50 69.91 1nnb s THR 140 CO -0.06 -0.50 1.71 0.40 -0.54 0.00 0.00 174.62 175.63 1nnb h ILE 141 N 0.97 0.84 0.00 2.99 2.04 -1.85 -3.02 117.51 119.48 1nnb h ILE 141 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1nnb h ILE 141 Cb 1.20 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1nnb h ILE 141 CO 0.64 0.00 0.00 0.54 0.00 0.00 0.00 178.15 179.33 1nnb n ARG 142 N -5.18 0.16 -2.05 2.37 5.12 -1.26 -4.81 116.66 111.00 1nnb n ARG 142 Ca -0.07 0.21 -0.38 0.00 -1.93 0.00 0.00 57.85 55.68 1nnb n ARG 142 Cb 0.11 -1.71 0.01 0.00 -1.16 0.00 0.00 32.46 29.71 1nnb n ARG 142 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1nnb s GLY 143 N -3.37 2.83 0.42 -0.13 0.00 -1.14 -4.93 107.32 101.01 1nnb s GLY 143 Ca 0.10 1.11 0.13 0.00 0.00 0.00 0.00 44.72 46.06 1nnb s GLY 143 CO 0.50 1.60 1.97 0.50 0.00 0.00 0.00 173.10 177.68 1nnb h LYS 144 N 1.86 0.44 -0.27 2.90 1.79 -1.88 -2.07 116.57 119.33 1nnb h LYS 144 Ca -0.50 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1nnb h LYS 144 Cb 1.27 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1nnb h LYS 144 CO 0.59 0.29 0.00 0.72 -1.08 0.00 0.00 179.45 179.97 1nnb n HIS 145 N -4.47 0.02 0.40 -1.35 8.25 -1.26 -2.53 115.22 114.28 1nnb n HIS 145 Ca 0.10 -0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1nnb n HIS 145 Cb 0.37 -0.03 0.17 0.00 1.12 0.00 0.00 29.99 31.62 1nnb n HIS 145 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nnb h SER 146 N 0.08 0.00 -2.47 0.41 4.64 -1.57 -3.45 113.55 111.19 1nnb h SER 146 Ca 0.00 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.67 1nnb h SER 146 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1nnb h SER 146 CO 0.00 0.04 1.33 0.21 -0.87 0.00 0.00 176.83 177.54 1nnb s ASN 147 N -4.95 5.72 0.00 4.97 3.04 -1.05 -2.39 114.94 120.27 1nnb s ASN 147 Ca 0.06 1.30 0.00 0.00 0.04 0.00 0.00 52.86 54.26 1nnb s ASN 147 Cb 0.11 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.29 1nnb s ASN 147 CO 0.71 -1.85 0.00 0.61 -3.04 0.00 0.00 177.10 173.53 1nnb n GLY 148 N 5.52 1.02 0.27 1.21 0.00 -0.95 -4.97 105.19 107.29 1nnb n GLY 148 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1nnb n GLY 148 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nnb n THR 149 N -0.17 0.00 0.87 2.61 -2.24 -1.01 -1.92 114.28 112.43 1nnb n THR 149 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1nnb n THR 149 Cb 0.00 -0.25 0.55 0.00 -2.10 0.00 0.00 70.33 68.53 1nnb n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nnb n ILE 150 N -0.09 0.21 -2.95 2.28 3.06 -1.26 -4.27 119.36 116.34 1nnb n ILE 150 Ca 0.00 -0.05 -0.40 0.00 -2.50 0.00 0.00 62.75 59.80 1nnb n ILE 150 Cb 0.07 -0.56 -0.06 0.00 0.54 0.00 0.00 39.64 39.63 1nnb n ILE 150 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1nnb s HIS 151 N -3.03 3.85 0.05 9.51 3.76 -0.81 -5.00 115.29 123.62 1nnb s HIS 151 Ca 0.13 1.61 -0.16 0.00 -0.15 0.00 0.00 55.06 56.48 1nnb s HIS 151 Cb 0.17 -2.82 -0.23 0.00 1.11 0.00 0.00 32.58 30.81 1nnb s HIS 151 CO 0.53 0.40 1.16 -0.44 -0.85 0.00 0.00 174.74 175.54 1nnb h ASP 152 N 4.88 0.75 -3.36 1.40 3.32 -1.92 -3.45 116.42 118.05 1nnb h ASP 152 Ca -0.46 -0.74 -0.63 0.00 0.02 0.00 0.00 57.03 55.22 1nnb h ASP 152 Cb 1.21 -0.23 -0.33 0.00 0.22 0.00 0.00 39.33 40.20 1nnb h ASP 152 CO 0.68 1.39 -0.86 -0.13 -1.72 0.00 0.00 179.24 178.60 1nnb s ARG 153 N -3.29 2.65 0.30 3.56 0.52 -1.26 -4.91 118.95 116.52 1nnb s ARG 153 Ca -0.11 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 1nnb s ARG 153 Cb 0.05 -2.04 0.05 0.00 0.52 0.00 0.00 34.95 33.54 1nnb s ARG 153 CO 0.88 0.13 0.83 -1.54 0.02 0.00 0.00 175.30 175.63 1nnb s SER 154 N 0.44 -0.07 0.00 0.23 1.04 -1.26 -5.02 113.70 109.05 1nnb s SER 154 Ca -0.18 -0.87 0.26 0.00 0.48 0.00 0.00 55.95 55.65 1nnb s SER 154 Cb -0.17 0.73 1.25 0.00 0.10 0.00 0.00 66.02 67.93 1nnb s SER 154 CO 0.07 -1.41 1.88 0.00 0.98 0.00 0.00 173.24 174.76 1nnb n GLN 155 N -0.54 0.24 -0.09 4.02 3.00 -1.26 -3.44 117.38 119.32 1nnb n GLN 155 Ca -0.06 0.04 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1nnb n GLN 155 Cb 0.60 -1.50 0.09 0.00 0.00 0.00 0.00 30.24 29.43 1nnb n GLN 155 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1nnb n TYR 156 N -1.36 0.23 -2.29 1.08 4.01 -1.26 -5.00 117.16 112.57 1nnb n TYR 156 Ca 0.10 -0.28 -0.29 0.00 -0.16 0.00 0.00 57.90 57.26 1nnb n TYR 156 Cb 0.24 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1nnb n TYR 156 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nnb s ARG 157 N -0.92 3.60 0.05 -0.72 1.81 -1.22 -2.49 118.95 119.06 1nnb s ARG 157 Ca 0.16 0.50 -0.27 0.00 -1.72 0.00 0.00 55.73 54.41 1nnb s ARG 157 Cb 0.09 -2.23 0.08 0.00 -0.45 0.00 0.00 34.95 32.44 1nnb s ARG 157 CO 0.13 -0.36 0.68 0.00 -0.68 0.00 0.00 175.30 175.07 1nnb s ALA 158 N -2.91 -1.70 -0.18 2.13 0.00 -1.12 -3.75 121.76 114.22 1nnb s ALA 158 Ca 0.52 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 53.14 1nnb s ALA 158 Cb -0.11 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1nnb s ALA 158 CO 0.48 -0.59 0.82 -1.17 0.00 0.00 0.00 175.76 175.29 1nnb s LEU 159 N -2.06 4.16 0.19 0.00 2.96 -0.43 0.04 118.68 123.55 1nnb s LEU 159 Ca -0.03 1.13 0.11 0.00 -0.22 0.00 0.00 54.13 55.11 1nnb s LEU 159 Cb -0.01 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1nnb s LEU 159 CO -0.03 -0.41 -0.20 0.27 -1.32 0.00 0.00 176.35 174.66 1nnb s ILE 160 N 2.24 2.59 0.14 6.68 -4.36 0.09 -0.25 121.20 128.33 1nnb s ILE 160 Ca 0.37 -1.92 0.06 0.00 -0.26 0.00 0.00 60.65 58.90 1nnb s ILE 160 Cb -0.16 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 1nnb s ILE 160 CO 0.11 -0.11 -0.15 -0.94 0.24 0.00 0.00 174.94 174.10 1nnb s SER 161 N -2.70 2.14 0.19 4.36 1.04 0.14 -1.69 113.70 117.17 1nnb s SER 161 Ca 0.22 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.71 1nnb s SER 161 Cb -0.08 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 1nnb s SER 161 CO 0.11 -0.14 0.32 -1.66 0.98 0.00 0.00 173.24 172.85 1nnb s TRP 162 N -2.26 0.47 0.29 5.02 -2.14 -0.28 -1.24 118.94 118.80 1nnb s TRP 162 Ca 0.11 -0.81 -0.30 0.00 2.66 0.00 0.00 56.10 57.76 1nnb s TRP 162 Cb -0.04 -0.05 -0.12 0.00 -3.10 0.00 0.00 33.47 30.16 1nnb s TRP 162 CO 0.04 -0.78 1.55 -2.30 -2.66 0.00 0.00 176.95 172.80 1nnb n PRO 163 N -0.26 2.59 -1.68 3.25 -0.02 -1.26 -1.41 135.00 136.20 1nnb n PRO 163 Ca -0.05 0.92 -0.56 0.00 -2.02 0.00 0.00 63.50 61.78 1nnb n PRO 163 Cb 0.63 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1nnb n PRO 163 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1nnb n LEU 164 N 2.01 2.20 -0.30 2.45 7.94 -1.26 -2.11 117.00 127.93 1nnb n LEU 164 Ca 0.08 1.09 -0.04 0.00 -1.11 0.00 0.00 56.01 56.03 1nnb n LEU 164 Cb 0.36 -1.15 -0.01 0.00 0.53 0.00 0.00 43.42 43.15 1nnb n LEU 164 CO 0.64 -0.58 -0.04 -1.20 -1.11 0.00 0.00 177.39 175.10 1nnb n SER 165 N 4.73 -3.11 -4.69 1.96 7.64 -1.26 -4.98 113.62 113.90 1nnb n SER 165 Ca 0.25 0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.89 1nnb n SER 165 Cb 0.14 -1.25 -0.08 0.00 -1.01 0.00 0.00 64.21 62.01 1nnb n SER 165 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nnb s SER 166 N -2.94 5.07 0.46 6.43 0.01 -0.90 -4.55 113.70 117.28 1nnb s SER 166 Ca 0.00 -0.13 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 1nnb s SER 166 Cb 0.00 -1.24 -0.08 0.00 0.21 0.00 0.00 66.02 64.91 1nnb s SER 166 CO 0.00 0.20 1.08 -2.16 0.41 0.00 0.00 173.24 172.77 1nnb s PRO 167 N -2.12 3.85 -0.96 12.44 0.04 -1.26 -4.82 135.00 142.17 1nnb s PRO 167 Ca 0.24 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.57 1nnb s PRO 167 Cb -0.12 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1nnb s PRO 167 CO 0.16 -0.42 1.75 -1.25 0.04 0.00 0.00 177.00 177.29 1nnb s PRO 168 N -2.90 2.98 0.37 0.56 0.04 -1.26 -4.96 135.00 129.84 1nnb s PRO 168 Ca 0.64 -0.67 0.02 0.00 0.04 0.00 0.00 61.00 61.03 1nnb s PRO 168 Cb -0.22 -5.19 -0.02 0.00 0.04 0.00 0.00 34.50 29.11 1nnb s PRO 168 CO 0.26 -2.92 0.57 0.95 0.04 0.00 0.00 177.00 175.90 1nnb s THR 169 N 8.01 4.55 0.44 1.26 -4.23 -1.26 0.51 115.64 124.93 1nnb s THR 169 Ca 0.60 -0.60 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1nnb s THR 169 Cb -0.04 -3.65 0.21 0.00 1.34 0.00 0.00 72.50 70.36 1nnb s THR 169 CO -0.04 -0.40 2.01 0.58 -0.54 0.00 0.00 174.62 176.23 1nnb h VAL 170 N 0.67 1.00 -0.11 2.29 2.07 -1.55 -2.63 116.25 118.00 1nnb h VAL 170 Ca -0.48 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1nnb h VAL 170 Cb 1.24 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1nnb h VAL 170 CO 0.58 0.17 0.00 -1.22 0.02 0.00 0.00 177.57 177.12 1nnb n TYR 171 N -4.16 0.11 0.00 1.57 4.01 -1.26 -4.41 117.16 113.02 1nnb n TYR 171 Ca -0.02 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nnb n TYR 171 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1nnb n TYR 171 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nnb n ASN 172 N 1.11 0.42 -4.81 7.72 3.02 -1.15 -5.07 115.26 116.49 1nnb n ASN 172 Ca 0.16 -0.08 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 1nnb n ASN 172 Cb 0.54 0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.91 1nnb n ASN 172 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1nnb s SER 173 N -0.33 6.49 -0.10 6.41 0.01 -1.00 -4.75 113.70 120.43 1nnb s SER 173 Ca 0.00 1.78 0.02 0.00 1.31 0.00 0.00 55.95 59.06 1nnb s SER 173 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1nnb s SER 173 CO 0.00 -0.68 -0.16 -0.60 0.41 0.00 0.00 173.24 172.21 1nnb s ARG 174 N -3.48 3.05 -0.17 12.44 3.52 -0.37 -4.96 118.95 128.98 1nnb s ARG 174 Ca 0.64 -0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 55.22 1nnb s ARG 174 Cb -0.13 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 1nnb s ARG 174 CO 0.22 0.31 0.95 0.08 -0.81 0.00 0.00 175.30 176.05 1nnb s VAL 175 N 0.06 4.79 -0.10 7.11 1.01 -1.26 -0.69 120.40 131.32 1nnb s VAL 175 Ca -0.07 1.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 1nnb s VAL 175 Cb -0.15 -4.24 -0.28 0.00 0.00 0.00 0.00 36.38 31.71 1nnb s VAL 175 CO 0.05 -0.04 0.80 -0.33 0.00 0.00 0.00 175.10 175.57 1nnb h GLU 176 N 7.31 0.14 -1.92 2.72 4.39 -0.97 -3.49 114.58 122.76 1nnb h GLU 176 Ca -0.27 -0.24 0.24 0.00 0.34 0.00 0.00 59.36 59.43 1nnb h GLU 176 Cb 1.11 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 1nnb h GLU 176 CO 0.88 1.12 0.64 0.00 -1.16 0.00 0.00 179.01 180.49 1nnb s ILE 178 N -2.88 5.02 -0.23 0.00 -1.09 -1.26 -1.31 121.20 119.45 1nnb s ILE 178 Ca 0.12 -0.32 -0.34 0.00 -2.23 0.00 0.00 60.65 57.88 1nnb s ILE 178 Cb 0.01 -4.11 0.15 0.00 -1.58 0.00 0.00 42.46 36.94 1nnb s ILE 178 CO -0.01 -0.52 1.27 -0.83 -1.23 0.00 0.00 174.94 173.62 1nnb s GLY 179 N 2.00 -0.19 0.00 6.18 0.00 -1.25 -4.53 107.32 109.54 1nnb s GLY 179 Ca 0.14 1.97 0.16 0.00 0.00 0.00 0.00 44.72 46.99 1nnb s GLY 179 CO 0.14 0.71 1.30 -2.67 0.00 0.00 0.00 173.10 172.58 1nnb n TRP 180 N 0.11 0.54 -3.80 1.90 4.27 0.14 -3.40 117.44 117.20 1nnb n TRP 180 Ca 0.01 -0.40 -0.12 0.00 -3.89 0.00 0.00 57.50 53.10 1nnb n TRP 180 Cb 0.58 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 30.43 1nnb n TRP 180 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1nnb s SER 181 N -1.07 -0.08 0.28 -0.67 0.15 -1.18 -4.86 113.70 106.27 1nnb s SER 181 Ca 0.31 -0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.64 1nnb s SER 181 Cb 0.17 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1nnb s SER 181 CO 0.23 -0.49 0.66 -0.94 1.20 0.00 0.00 173.24 173.89 1nnb s SER 182 N -1.67 -0.16 0.06 5.45 1.04 -1.26 -0.96 113.70 116.20 1nnb s SER 182 Ca -0.10 -0.76 -0.26 0.00 0.48 0.00 0.00 55.95 55.30 1nnb s SER 182 Cb -0.04 0.70 0.08 0.00 0.10 0.00 0.00 66.02 66.86 1nnb s SER 182 CO 0.00 -1.32 0.67 0.28 0.98 0.00 0.00 173.24 173.85 1nnb s THR 183 N -3.78 0.00 -0.21 2.02 -1.32 -0.91 -1.34 115.64 110.09 1nnb s THR 183 Ca 0.15 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.48 1nnb s THR 183 Cb -0.04 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.01 1nnb s THR 183 CO 0.08 0.00 0.54 -0.55 -2.21 0.00 0.00 174.62 172.48 1nnb s SER 184 N -2.16 -0.64 0.08 8.08 0.15 -1.26 -0.47 113.70 117.47 1nnb s SER 184 Ca -0.03 1.14 -0.12 0.00 0.70 0.00 0.00 55.95 57.64 1nnb s SER 184 Cb -0.01 1.07 0.01 0.00 -1.71 0.00 0.00 66.02 65.39 1nnb s SER 184 CO -0.05 -0.20 0.27 0.00 1.20 0.00 0.00 173.24 174.46 1nnb s HIS 186 N -3.37 3.09 -0.48 0.00 2.46 -1.26 0.06 115.29 115.79 1nnb s HIS 186 Ca 0.01 0.01 0.14 0.00 0.47 0.00 0.00 55.06 55.69 1nnb s HIS 186 Cb 0.02 -1.85 0.76 0.00 -0.13 0.00 0.00 32.58 31.38 1nnb s HIS 186 CO -0.08 0.27 1.66 -0.40 -2.47 0.00 0.00 174.74 173.71 1nnb n ASP 187 N 2.67 5.28 0.00 9.88 5.68 0.54 -4.62 116.55 135.98 1nnb n ASP 187 Ca -0.18 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 1nnb n ASP 187 Cb 0.53 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1nnb n ASP 187 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nnb n GLY 188 N 0.70 2.13 0.11 6.12 0.00 -1.26 -0.83 105.19 112.16 1nnb n GLY 188 Ca 0.26 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1nnb n GLY 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnb n LYS 189 N 0.00 0.56 -2.66 1.61 5.02 -1.26 -4.44 118.16 116.98 1nnb n LYS 189 Ca 0.00 0.52 -0.06 0.00 -2.02 0.00 0.00 58.31 56.76 1nnb n LYS 189 Cb 0.00 -1.70 0.01 0.00 -0.02 0.00 0.00 35.03 33.32 1nnb n LYS 189 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1nnb n THR 190 N -4.42 0.00 -4.53 -0.18 5.66 -1.26 -4.99 114.28 104.56 1nnb n THR 190 Ca -0.34 -0.65 -0.34 0.00 -3.05 0.00 0.00 64.05 59.68 1nnb n THR 190 Cb 0.68 0.58 -0.12 0.00 -1.55 0.00 0.00 70.33 69.93 1nnb n THR 190 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1nnb s ARG 191 N -2.12 3.18 -0.17 1.09 3.52 -1.26 -0.34 118.95 122.85 1nnb s ARG 191 Ca 0.10 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.12 1nnb s ARG 191 Cb -0.02 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1nnb s ARG 191 CO 0.08 0.47 0.01 1.41 -0.81 0.00 0.00 175.30 176.46 1nnb s MET 192 N -0.27 3.82 -0.05 5.12 -2.45 0.11 -2.35 119.30 123.23 1nnb s MET 192 Ca 0.04 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.07 1nnb s MET 192 Cb -0.13 -3.07 0.01 0.00 1.25 0.00 0.00 34.83 32.89 1nnb s MET 192 CO 0.02 0.24 -0.10 -1.12 1.05 0.00 0.00 175.02 175.12 1nnb s SER 193 N 0.40 1.44 -0.19 1.11 0.01 -0.72 -0.40 113.70 115.36 1nnb s SER 193 Ca -0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1nnb s SER 193 Cb -0.13 -0.57 0.04 0.00 0.21 0.00 0.00 66.02 65.57 1nnb s SER 193 CO 0.02 0.03 -0.09 -0.63 0.41 0.00 0.00 173.24 172.98 1nnb s ILE 194 N 0.52 1.48 0.08 1.44 1.01 0.38 -1.01 121.20 125.10 1nnb s ILE 194 Ca -0.10 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.75 1nnb s ILE 194 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1nnb s ILE 194 CO 0.02 0.18 -0.09 0.00 0.00 0.00 0.00 174.94 175.04 1nnb s ILE 196 N -1.16 2.18 0.30 0.00 1.01 -0.14 -1.83 121.20 121.56 1nnb s ILE 196 Ca 0.20 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1nnb s ILE 196 Cb -0.11 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1nnb s ILE 196 CO 0.12 0.56 0.15 -0.94 0.00 0.00 0.00 174.94 174.83 1nnb s SER 197 N 0.19 1.55 0.00 3.58 1.04 -0.85 0.26 113.70 119.47 1nnb s SER 197 Ca -0.14 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.76 1nnb s SER 197 Cb -0.17 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1nnb s SER 197 CO 0.07 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1nnb n GLY 198 N -0.58 2.63 3.67 7.32 0.00 -1.26 -1.06 105.19 115.91 1nnb n GLY 198 Ca 0.01 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1nnb n GLY 198 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nnb s PRO 199 N -1.78 0.91 0.51 1.61 0.04 -1.26 -4.77 135.00 130.26 1nnb s PRO 199 Ca 0.00 1.07 0.28 0.00 0.04 0.00 0.00 61.00 62.39 1nnb s PRO 199 Cb 0.00 -1.75 1.38 0.00 0.04 0.00 0.00 34.50 34.17 1nnb s PRO 199 CO 0.00 -2.55 1.88 -0.91 0.04 0.00 0.00 177.00 175.47 1nnb h ASN 200 N -1.78 0.10 -0.29 6.66 -0.26 -1.96 -2.43 115.58 115.62 1nnb h ASN 200 Ca -0.49 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1nnb h ASN 200 Cb 1.28 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 1nnb h ASN 200 CO 0.50 0.04 0.00 -0.46 -1.06 0.00 0.00 177.43 176.44 1nnb n ASN 201 N -4.34 3.42 -1.96 5.81 6.94 -1.26 -1.17 115.26 122.70 1nnb n ASN 201 Ca 0.18 -2.57 -0.03 0.00 -0.02 0.00 0.00 54.58 52.14 1nnb n ASN 201 Cb 0.88 -0.40 0.05 0.00 -2.36 0.00 0.00 39.78 37.96 1nnb n ASN 201 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1nnb n ASN 202 N -0.10 -1.11 -4.87 0.53 5.15 -1.01 -4.83 115.26 109.02 1nnb n ASN 202 Ca 0.17 -1.92 -0.31 0.00 -0.60 0.00 0.00 54.58 51.92 1nnb n ASN 202 Cb 0.68 0.47 0.00 0.00 -0.53 0.00 0.00 39.78 40.40 1nnb n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nnb s ALA 203 N 0.07 3.13 0.08 5.20 0.00 -0.95 -4.25 121.76 125.05 1nnb s ALA 203 Ca 0.05 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1nnb s ALA 203 Cb 0.25 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.37 1nnb s ALA 203 CO -0.07 -0.58 0.34 -1.54 0.00 0.00 0.00 175.76 173.91 1nnb s SER 204 N -4.00 -0.15 -0.01 0.00 1.04 -0.22 -0.70 113.70 109.64 1nnb s SER 204 Ca 0.55 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.74 1nnb s SER 204 Cb -0.11 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1nnb s SER 204 CO 0.50 -0.74 -0.18 0.00 0.98 0.00 0.00 173.24 173.80 1nnb s ALA 205 N -3.28 2.55 -0.14 5.32 0.00 0.80 -2.01 121.76 124.99 1nnb s ALA 205 Ca -0.00 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1nnb s ALA 205 Cb 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1nnb s ALA 205 CO -0.08 0.56 -0.19 0.08 0.00 0.00 0.00 175.76 176.12 1nnb s VAL 206 N -0.78 2.35 -0.45 0.00 1.01 -0.76 -1.29 120.40 120.48 1nnb s VAL 206 Ca 0.12 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 1nnb s VAL 206 Cb -0.10 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1nnb s VAL 206 CO 0.02 0.54 0.67 -0.63 0.00 0.00 0.00 175.10 175.69 1nnb s ILE 207 N 0.69 4.80 0.17 2.22 1.09 0.18 -2.63 121.20 127.72 1nnb s ILE 207 Ca -0.09 0.07 -0.14 0.00 -1.10 0.00 0.00 60.65 59.39 1nnb s ILE 207 Cb -0.16 -4.24 -0.07 0.00 -1.06 0.00 0.00 42.46 36.93 1nnb s ILE 207 CO 0.01 -0.66 0.56 0.26 -0.10 0.00 0.00 174.94 175.01 1nnb s TRP 208 N 2.89 3.56 -0.13 3.97 0.52 -0.18 -0.92 118.94 128.66 1nnb s TRP 208 Ca 0.23 1.04 -0.08 0.00 0.02 0.00 0.00 56.10 57.31 1nnb s TRP 208 Cb -0.14 -2.36 0.05 0.00 -1.15 0.00 0.00 33.47 29.86 1nnb s TRP 208 CO 0.18 0.38 0.31 -0.47 0.02 0.00 0.00 176.95 177.38 1nnb s TYR 209 N -1.55 -0.41 -1.40 -1.98 5.04 0.91 -1.76 117.35 116.19 1nnb s TYR 209 Ca 0.40 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.94 1nnb s TYR 209 Cb -0.14 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.32 1nnb s TYR 209 CO 0.20 -0.25 0.64 -1.71 -1.34 0.00 0.00 175.55 173.09 1nnb n ASN 210 N 3.91 -1.48 -0.90 4.32 5.15 -0.99 -2.07 115.26 123.20 1nnb n ASN 210 Ca -0.22 -0.90 -0.07 0.00 -0.60 0.00 0.00 54.58 52.80 1nnb n ASN 210 Cb 0.55 -3.57 -0.03 0.00 -0.53 0.00 0.00 39.78 36.20 1nnb n ASN 210 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nnb n ARG 211 N -4.39 -1.45 -4.81 1.20 1.74 -1.26 -4.97 116.66 102.72 1nnb n ARG 211 Ca -0.23 0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 57.01 1nnb n ARG 211 Cb 0.65 -4.43 -0.13 0.00 -1.02 0.00 0.00 32.46 27.52 1nnb n ARG 211 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1nnb s ARG 212 N -2.26 2.16 0.24 5.56 0.52 -0.88 -5.09 118.95 119.20 1nnb s ARG 212 Ca 0.00 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 1nnb s ARG 212 Cb 0.00 -2.20 -0.09 0.00 0.52 0.00 0.00 34.95 33.18 1nnb s ARG 212 CO 0.00 0.56 1.25 -1.25 0.02 0.00 0.00 175.30 175.89 1nnb s PRO 213 N -1.15 4.44 0.00 3.54 0.04 -1.26 -0.07 135.00 140.54 1nnb s PRO 213 Ca 0.13 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1nnb s PRO 213 Cb -0.10 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1nnb s PRO 213 CO 0.03 -0.13 0.00 0.28 0.04 0.00 0.00 177.00 177.22 1nnb n VAL 214 N 1.94 0.00 -3.89 -0.36 0.31 -0.10 -4.93 118.33 111.30 1nnb n VAL 214 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 1nnb n VAL 214 Cb 0.43 -1.06 -0.13 0.00 -0.91 0.00 0.00 33.84 32.17 1nnb n VAL 214 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1nnb s THR 215 N -1.96 0.03 0.10 2.52 2.01 -1.07 -5.00 115.64 112.26 1nnb s THR 215 Ca 0.00 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.83 1nnb s THR 215 Cb 0.00 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1nnb s THR 215 CO 0.00 -0.12 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.08 1nnb s GLU 216 N -0.36 0.90 -0.14 4.92 8.01 -1.26 0.49 118.70 131.26 1nnb s GLU 216 Ca -0.04 -1.14 -0.09 0.00 0.01 0.00 0.00 54.97 53.70 1nnb s GLU 216 Cb -0.03 -0.72 0.05 0.00 -4.31 0.00 0.00 34.13 29.13 1nnb s GLU 216 CO -0.00 0.13 0.36 0.42 0.01 0.00 0.00 175.26 176.18 1nnb s ILE 217 N -2.10 -0.02 0.23 -1.63 1.01 -0.41 -4.97 121.20 113.30 1nnb s ILE 217 Ca 0.05 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1nnb s ILE 217 Cb -0.05 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1nnb s ILE 217 CO 0.02 0.03 0.29 0.21 0.00 0.00 0.00 174.94 175.49 1nnb s ASN 218 N 1.00 6.03 0.12 3.58 2.47 -1.26 -0.14 114.94 126.74 1nnb s ASN 218 Ca -0.07 -0.03 -0.34 0.00 0.42 0.00 0.00 52.86 52.85 1nnb s ASN 218 Cb -0.07 -1.70 -0.18 0.00 -1.45 0.00 0.00 41.25 37.85 1nnb s ASN 218 CO -0.08 -0.04 0.94 0.35 -3.72 0.00 0.00 177.10 174.55 1nnb n THR 219 N -1.19 0.91 -0.02 -5.21 -2.24 0.12 -4.89 114.28 101.75 1nnb n THR 219 Ca -0.08 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1nnb n THR 219 Cb 0.57 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.35 1nnb n THR 219 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1nnb n TRP 220 N 1.05 0.00 -0.13 4.78 2.14 -1.26 -4.59 117.44 119.43 1nnb n TRP 220 Ca 0.18 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.75 1nnb n TRP 220 Cb 0.19 -0.52 0.00 0.00 -0.81 0.00 0.00 31.31 30.17 1nnb n TRP 220 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1nnb n ALA 221 N -2.25 2.11 -2.35 -1.67 0.00 -1.26 -5.02 120.51 110.07 1nnb n ALA 221 Ca -0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 1nnb n ALA 221 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1nnb n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nnb n ARG 222 N -0.08 -1.75 -3.47 0.00 1.74 -1.26 -4.69 116.66 107.14 1nnb n ARG 222 Ca 0.00 0.96 -0.25 0.00 -0.77 0.00 0.00 57.85 57.79 1nnb n ARG 222 Cb 0.08 -5.60 -0.12 0.00 -1.02 0.00 0.00 32.46 25.80 1nnb n ARG 222 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nnb s ASN 223 N -2.09 2.73 -0.58 0.55 2.47 -1.25 -4.16 114.94 112.60 1nnb s ASN 223 Ca 0.00 -1.32 -0.03 0.00 0.42 0.00 0.00 52.86 51.93 1nnb s ASN 223 Cb 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 41.25 39.76 1nnb s ASN 223 CO 0.00 -0.39 0.45 -0.38 -3.72 0.00 0.00 177.10 173.06 1nnb n ILE 224 N 4.98 -2.42 -1.59 -5.21 5.41 -0.32 -1.03 119.36 119.18 1nnb n ILE 224 Ca -0.00 -0.00 -0.56 0.00 1.00 0.00 0.00 62.75 63.18 1nnb n ILE 224 Cb 0.43 -2.17 -0.07 0.00 -0.71 0.00 0.00 39.64 37.12 1nnb n ILE 224 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1nnb n LEU 225 N -1.88 1.20 -3.70 1.39 7.94 -1.26 -4.49 117.00 116.19 1nnb n LEU 225 Ca -0.23 1.13 -0.13 0.00 -1.11 0.00 0.00 56.01 55.68 1nnb n LEU 225 Cb 0.52 -1.08 -0.07 0.00 0.53 0.00 0.00 43.42 43.32 1nnb n LEU 225 CO 0.47 -1.22 0.11 0.00 -1.11 0.00 0.00 177.39 175.64 1nnb s ARG 226 N 0.93 0.86 0.00 1.96 1.70 -0.43 -4.98 118.95 118.98 1nnb s ARG 226 Ca 0.90 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 55.80 1nnb s ARG 226 Cb -1.11 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 33.65 1nnb s ARG 226 CO 0.55 -0.28 0.00 2.41 -1.08 0.00 0.00 175.30 176.90 1nnb n THR 227 N 0.65 0.00 -0.02 4.99 -1.04 -1.26 -1.67 114.28 115.93 1nnb n THR 227 Ca -0.19 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.66 1nnb n THR 227 Cb 0.59 -0.01 -0.09 0.00 -1.82 0.00 0.00 70.33 69.00 1nnb n THR 227 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1nnb h GLN 228 N 0.00 0.52 -0.33 -2.82 4.20 -1.72 -3.37 115.11 111.59 1nnb h GLN 228 Ca 0.00 -0.45 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 1nnb h GLN 228 Cb 0.00 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1nnb h GLN 228 CO 0.00 1.08 -0.08 0.39 -0.67 0.00 0.00 178.83 179.55 1nnb n GLU 229 N -4.20 -0.28 -3.82 1.46 -0.58 -0.45 -3.87 120.64 108.89 1nnb n GLU 229 Ca -0.09 0.46 -0.07 0.00 -0.42 0.00 0.00 57.16 57.05 1nnb n GLU 229 Cb 0.63 -4.15 -0.02 0.00 -0.57 0.00 0.00 31.44 27.34 1nnb n GLU 229 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1nnb s SER 230 N -2.91 -0.27 0.36 1.62 1.04 -1.25 -4.69 113.70 107.60 1nnb s SER 230 Ca 0.00 -0.55 -0.28 0.00 0.48 0.00 0.00 55.95 55.60 1nnb s SER 230 Cb 0.00 0.70 -0.12 0.00 0.10 0.00 0.00 66.02 66.70 1nnb s SER 230 CO 0.00 -1.29 1.33 -1.84 0.98 0.00 0.00 173.24 172.42 1nnb n GLU 231 N -0.45 2.22 -0.55 4.02 0.28 -1.26 -4.40 120.64 120.50 1nnb n GLU 231 Ca -0.05 0.78 -0.08 0.00 -0.16 0.00 0.00 57.16 57.65 1nnb n GLU 231 Cb 0.60 -2.41 0.06 0.00 1.43 0.00 0.00 31.44 31.11 1nnb n GLU 231 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nnb s VAL 233 N -1.74 0.19 0.39 0.00 1.01 -1.26 -4.72 120.40 114.26 1nnb s VAL 233 Ca 0.20 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1nnb s VAL 233 Cb -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1nnb s VAL 233 CO 0.14 0.17 0.55 0.00 0.00 0.00 0.00 175.10 175.96 1nnb s HIS 235 N -2.32 -0.96 -1.55 0.00 2.46 -0.87 -4.70 115.29 107.36 1nnb s HIS 235 Ca 0.49 1.37 -0.11 0.00 0.47 0.00 0.00 55.06 57.28 1nnb s HIS 235 Cb -0.10 0.28 0.08 0.00 -0.13 0.00 0.00 32.58 32.71 1nnb s HIS 235 CO 0.33 -0.64 0.71 -1.71 -2.47 0.00 0.00 174.74 170.97 1nnb n ASN 236 N 5.39 -2.59 0.00 9.88 5.15 0.30 -2.67 115.26 130.72 1nnb n ASN 236 Ca -0.06 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 1nnb n ASN 236 Cb 0.50 -3.18 0.00 0.00 -0.53 0.00 0.00 39.78 36.57 1nnb n ASN 236 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nnb n GLY 237 N -1.66 1.59 3.27 8.20 0.00 -1.26 -5.00 105.19 110.33 1nnb n GLY 237 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1nnb n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnb s VAL 238 N -2.42 3.94 -0.41 1.61 1.01 -1.09 -4.03 120.40 119.01 1nnb s VAL 238 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 1nnb s VAL 238 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 33.15 1nnb s VAL 238 CO 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 175.10 175.00 1nnb s PRO 240 N 1.26 4.09 -0.04 0.00 0.04 -1.25 -1.94 135.00 137.17 1nnb s PRO 240 Ca 0.05 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 1nnb s PRO 240 Cb -0.23 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.17 1nnb s PRO 240 CO -0.02 -0.16 0.08 0.08 0.04 0.00 0.00 177.00 177.02 1nnb s VAL 241 N -2.11 -0.03 -0.17 -0.36 1.01 0.44 -4.48 120.40 114.70 1nnb s VAL 241 Ca 0.64 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 1nnb s VAL 241 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1nnb s VAL 241 CO 0.15 0.04 0.40 -0.69 0.00 0.00 0.00 175.10 175.00 1nnb s VAL 242 N 0.55 5.21 0.01 2.92 1.01 -1.26 -0.70 120.40 128.15 1nnb s VAL 242 Ca -0.04 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.77 1nnb s VAL 242 Cb -0.06 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1nnb s VAL 242 CO -0.02 0.29 -0.26 -0.36 0.00 0.00 0.00 175.10 174.76 1nnb s PHE 243 N 0.99 2.34 -0.12 5.22 0.40 -0.15 -4.14 117.98 122.52 1nnb s PHE 243 Ca 0.20 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1nnb s PHE 243 Cb -0.14 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 1nnb s PHE 243 CO 0.08 0.06 -0.16 0.99 0.70 0.00 0.00 175.22 176.88 1nnb s THR 244 N -0.72 2.76 -0.17 0.64 2.01 -0.67 -0.65 115.64 118.83 1nnb s THR 244 Ca 0.11 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1nnb s THR 244 Cb -0.10 -2.13 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1nnb s THR 244 CO 0.01 0.54 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.72 1nnb s ASP 245 N 0.31 2.94 0.00 3.53 -1.08 -0.06 -1.32 116.67 121.00 1nnb s ASP 245 Ca -0.13 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 1nnb s ASP 245 Cb -0.16 -1.23 0.00 0.00 -1.46 0.00 0.00 42.92 40.06 1nnb s ASP 245 CO 0.06 -0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1nnb n GLY 246 N 4.73 0.29 3.71 2.66 0.00 -0.19 -0.79 105.19 115.60 1nnb n GLY 246 Ca -0.17 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1nnb n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nnb s SER 247 N -4.00 3.74 -0.00 1.61 0.15 -1.25 -4.63 113.70 109.32 1nnb s SER 247 Ca 0.00 2.24 0.08 0.00 0.70 0.00 0.00 55.95 58.97 1nnb s SER 247 Cb 0.00 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 1nnb s SER 247 CO 0.00 -2.56 0.34 0.00 1.20 0.00 0.00 173.24 172.21 1nnb n ALA 248 N -3.37 3.02 -2.11 5.45 0.00 -1.26 -4.30 120.51 117.94 1nnb n ALA 248 Ca 0.12 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1nnb n ALA 248 Cb 0.51 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.69 1nnb n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nnb n THR 249 N -1.23 2.45 -3.41 0.00 -2.24 -1.26 -3.88 114.28 104.71 1nnb n THR 249 Ca 0.01 -4.23 0.00 0.00 -2.27 0.00 0.00 64.05 57.56 1nnb n THR 249 Cb 0.13 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1nnb n THR 249 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nnb n GLY 250 N -0.68 -1.42 3.73 3.38 0.00 -1.26 -4.98 105.19 103.96 1nnb n GLY 250 Ca 0.42 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1nnb n GLY 250 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nnb s PRO 251 N -1.41 4.14 0.13 1.61 0.02 -1.26 -4.78 135.00 133.45 1nnb s PRO 251 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1nnb s PRO 251 Cb 0.00 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.45 1nnb s PRO 251 CO 0.00 -0.67 0.01 0.00 -0.33 0.00 0.00 177.00 176.01 1nnb n ALA 252 N 3.29 0.13 -4.01 -1.55 0.00 -1.26 -3.97 120.51 113.14 1nnb n ALA 252 Ca 0.13 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 1nnb n ALA 252 Cb 0.37 0.35 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 1nnb n ALA 252 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nnb s GLU 253 N -2.47 2.43 -0.20 0.00 2.02 0.03 -4.98 118.70 115.53 1nnb s GLU 253 Ca 0.02 -1.23 -0.05 0.00 0.02 0.00 0.00 54.97 53.73 1nnb s GLU 253 Cb 0.00 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 1nnb s GLU 253 CO 0.01 -0.50 -0.00 0.99 0.02 0.00 0.00 175.26 175.78 1nnb s THR 254 N 1.16 3.91 0.01 3.63 2.01 -1.26 -0.89 115.64 124.22 1nnb s THR 254 Ca -0.06 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1nnb s THR 254 Cb -0.19 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1nnb s THR 254 CO -0.06 0.42 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.08 1nnb s ARG 255 N 1.08 2.50 -0.46 4.92 0.52 0.18 -0.29 118.95 127.39 1nnb s ARG 255 Ca 0.02 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.36 1nnb s ARG 255 Cb -0.14 -2.46 0.09 0.00 0.52 0.00 0.00 34.95 32.95 1nnb s ARG 255 CO 0.01 0.60 0.35 0.42 0.02 0.00 0.00 175.30 176.70 1nnb s ILE 256 N -0.98 4.69 0.13 1.52 -1.09 0.40 -0.98 121.20 124.88 1nnb s ILE 256 Ca 0.17 -1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 57.02 1nnb s ILE 256 Cb -0.11 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 1nnb s ILE 256 CO 0.07 -0.62 0.64 -0.31 -1.23 0.00 0.00 174.94 173.49 1nnb s TYR 257 N 1.51 3.78 -0.27 3.97 1.51 0.12 -1.45 117.35 126.53 1nnb s TYR 257 Ca 0.04 1.36 -0.05 0.00 -1.01 0.00 0.00 57.07 57.41 1nnb s TYR 257 Cb -0.25 -2.57 0.01 0.00 -0.11 0.00 0.00 41.96 39.05 1nnb s TYR 257 CO 0.03 0.51 0.02 0.71 -1.11 0.00 0.00 175.55 175.71 1nnb s TYR 258 N -1.23 3.10 0.01 2.71 1.51 0.29 -0.42 117.35 123.33 1nnb s TYR 258 Ca 0.34 -1.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1nnb s TYR 258 Cb -0.19 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1nnb s TYR 258 CO 0.21 -0.62 0.07 -0.06 -1.11 0.00 0.00 175.55 174.04 1nnb s PHE 259 N 1.44 3.24 -0.13 2.71 0.08 -0.82 0.01 117.98 124.51 1nnb s PHE 259 Ca 0.02 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 1nnb s PHE 259 Cb -0.17 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1nnb s PHE 259 CO -0.00 0.53 0.06 0.21 -0.10 0.00 0.00 175.22 175.92 1nnb s LYS 260 N -1.82 0.18 -1.50 0.44 2.47 -0.32 0.08 119.74 119.28 1nnb s LYS 260 Ca 0.23 0.02 -0.03 0.00 -1.56 0.00 0.00 55.97 54.63 1nnb s LYS 260 Cb -0.12 -1.40 0.00 0.00 -1.46 0.00 0.00 37.83 34.85 1nnb s LYS 260 CO 0.15 -0.53 0.40 0.39 0.16 0.00 0.00 175.35 175.93 1nnb n GLU 261 N 5.23 -3.69 0.00 4.03 1.02 -1.26 -2.73 120.64 123.24 1nnb n GLU 261 Ca -0.06 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1nnb n GLU 261 Cb 0.49 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 1nnb n GLU 261 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nnb n GLY 262 N -1.34 2.13 3.87 0.62 0.00 -1.26 -4.97 105.19 104.24 1nnb n GLY 262 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1nnb n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnb s LYS 263 N -0.32 3.67 -0.08 1.61 1.02 -1.11 -4.36 119.74 120.17 1nnb s LYS 263 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 1nnb s LYS 263 Cb 0.00 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1nnb s LYS 263 CO 0.00 0.63 1.27 0.42 -0.92 0.00 0.00 175.35 176.74 1nnb s ILE 264 N -1.30 4.16 -0.00 2.17 1.01 -1.26 -1.18 121.20 124.80 1nnb s ILE 264 Ca 0.29 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.40 1nnb s ILE 264 Cb -0.14 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.13 1nnb s ILE 264 CO 0.16 -0.05 0.83 -0.07 0.00 0.00 0.00 174.94 175.81 1nnb h LEU 265 N 8.79 0.29 0.00 2.97 3.38 -0.77 -3.47 115.31 126.51 1nnb h LEU 265 Ca -0.32 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1nnb h LEU 265 Cb 1.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1nnb h LEU 265 CO 0.92 1.37 0.00 1.17 0.09 0.00 0.00 178.44 181.98 1nnb n LYS 266 N -3.38 0.00 -3.95 1.13 4.81 -1.21 -5.02 118.16 110.54 1nnb n LYS 266 Ca -0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.20 1nnb n LYS 266 Cb 1.03 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 36.00 1nnb n LYS 266 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1nnb s TRP 267 N -2.00 0.30 -0.13 5.64 1.48 -1.26 -0.55 118.94 122.41 1nnb s TRP 267 Ca 0.00 -0.77 -0.10 0.00 -1.06 0.00 0.00 56.10 54.18 1nnb s TRP 267 Cb 0.00 -0.19 0.04 0.00 -1.16 0.00 0.00 33.47 32.16 1nnb s TRP 267 CO 0.00 -0.47 0.33 -1.83 -4.06 0.00 0.00 176.95 170.91 1nnb s GLU 268 N -3.84 0.35 0.62 3.25 -1.05 -0.53 -4.97 118.70 112.52 1nnb s GLU 268 Ca 0.05 0.54 -0.17 0.00 -0.15 0.00 0.00 54.97 55.24 1nnb s GLU 268 Cb 0.06 0.07 -0.07 0.00 -0.44 0.00 0.00 34.13 33.75 1nnb s GLU 268 CO -0.10 -0.10 0.54 -0.35 0.95 0.00 0.00 175.26 176.20 1nnb n PRO 269 N 3.49 0.46 -1.71 -4.83 -0.04 -1.26 -0.46 135.00 130.66 1nnb n PRO 269 Ca -0.18 0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 1nnb n PRO 269 Cb 0.56 -1.76 0.07 0.00 -0.04 0.00 0.00 33.50 32.33 1nnb n PRO 269 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1nnb n LEU 270 N 0.20 5.78 -4.09 1.53 7.94 0.60 -4.80 117.00 124.15 1nnb n LEU 270 Ca 0.11 0.82 -0.11 0.00 -1.11 0.00 0.00 56.01 55.73 1nnb n LEU 270 Cb 0.48 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 42.82 1nnb n LEU 270 CO 0.51 -1.10 -0.01 0.00 -1.11 0.00 0.00 177.39 175.67 1nnb s ALA 271 N -1.40 0.45 0.00 1.96 0.00 -1.26 -5.04 121.76 116.46 1nnb s ALA 271 Ca 0.82 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1nnb s ALA 271 Cb -0.38 1.22 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1nnb s ALA 271 CO 0.41 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1nnb n GLY 272 N -0.34 0.20 0.00 0.00 0.00 -1.26 -2.23 105.19 101.56 1nnb n GLY 272 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1nnb n GLY 272 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nnb n THR 273 N 0.00 0.73 -2.41 2.61 -2.24 -1.00 -4.89 114.28 107.08 1nnb n THR 273 Ca 0.00 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.55 1nnb n THR 273 Cb 0.00 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1nnb n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nnb s ALA 274 N -0.73 3.41 -0.65 6.98 0.00 -1.26 -4.62 121.76 124.90 1nnb s ALA 274 Ca 0.00 0.90 0.23 0.00 0.00 0.00 0.00 51.96 53.09 1nnb s ALA 274 Cb 0.00 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.80 1nnb s ALA 274 CO 0.00 -0.38 1.08 1.63 0.00 0.00 0.00 175.76 178.09 1nnb n LYS 275 N 3.04 0.26 -3.64 0.00 4.76 -1.26 -4.92 118.16 116.40 1nnb n LYS 275 Ca 0.06 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1nnb n LYS 275 Cb 0.45 -1.60 -0.07 0.00 -1.84 0.00 0.00 35.03 31.98 1nnb n LYS 275 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1nnb s HIS 276 N -3.18 -0.72 -0.05 2.13 2.46 -1.26 -4.81 115.29 109.86 1nnb s HIS 276 Ca 0.05 1.59 0.03 0.00 0.47 0.00 0.00 55.06 57.19 1nnb s HIS 276 Cb 0.14 0.40 0.01 0.00 -0.13 0.00 0.00 32.58 33.00 1nnb s HIS 276 CO 0.79 -0.35 -0.13 0.42 -2.47 0.00 0.00 174.74 173.00 1nnb s ILE 277 N 0.82 1.13 -0.05 0.89 -1.09 -1.25 -3.39 121.20 118.26 1nnb s ILE 277 Ca -0.03 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 57.64 1nnb s ILE 277 Cb -0.05 -1.01 0.05 0.00 -1.58 0.00 0.00 42.46 39.87 1nnb s ILE 277 CO -0.09 0.35 0.54 -1.61 -1.23 0.00 0.00 174.94 172.89 1nnb s GLU 278 N 0.44 0.89 -1.19 2.79 2.02 0.47 -4.80 118.70 119.32 1nnb s GLU 278 Ca -0.10 0.15 -0.17 0.00 0.02 0.00 0.00 54.97 54.87 1nnb s GLU 278 Cb -0.13 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 1nnb s GLU 278 CO 0.03 -0.26 0.73 0.39 0.02 0.00 0.00 175.26 176.18 1nnb n GLU 279 N 1.21 -1.65 -2.26 1.61 1.02 -1.26 -0.01 120.64 119.29 1nnb n GLU 279 Ca -0.19 0.44 -0.41 0.00 -0.02 0.00 0.00 57.16 56.98 1nnb n GLU 279 Cb 0.57 -4.18 -0.03 0.00 -0.02 0.00 0.00 31.44 27.77 1nnb n GLU 279 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnb s SER 281 N -0.04 4.33 0.15 0.00 0.01 -0.15 -4.64 113.70 113.36 1nnb s SER 281 Ca 0.53 -1.00 0.11 0.00 1.31 0.00 0.00 55.95 56.89 1nnb s SER 281 Cb -0.36 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1nnb s SER 281 CO 0.41 -0.15 -0.26 0.00 0.41 0.00 0.00 173.24 173.66 1nnb n TYR 283 N 0.73 -1.33 -3.77 0.00 4.11 0.94 -4.69 117.16 113.16 1nnb n TYR 283 Ca -0.16 -1.92 -0.13 0.00 -0.00 0.00 0.00 57.90 55.69 1nnb n TYR 283 Cb 0.54 0.48 -0.12 0.00 -0.00 0.00 0.00 39.34 40.24 1nnb n TYR 283 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1nnb s GLY 284 N -2.79 -0.20 0.12 -7.48 0.00 -1.26 0.33 107.32 96.03 1nnb s GLY 284 Ca 0.23 0.81 -0.10 0.00 0.00 0.00 0.00 44.72 45.67 1nnb s GLY 284 CO 0.17 0.75 0.24 -1.83 0.00 0.00 0.00 173.10 172.43 1nnb s GLU 285 N 0.30 0.97 -1.44 2.90 4.04 -1.03 -4.98 118.70 119.45 1nnb s GLU 285 Ca -0.01 -1.00 -0.06 0.00 0.04 0.00 0.00 54.97 53.94 1nnb s GLU 285 Cb -0.03 0.37 0.01 0.00 0.02 0.00 0.00 34.13 34.49 1nnb s GLU 285 CO -0.01 -0.33 0.26 0.54 -1.84 0.00 0.00 175.26 173.87 1nnb n ARG 286 N -0.13 -1.57 -3.13 -4.83 1.74 0.47 -1.77 116.66 107.44 1nnb n ARG 286 Ca -0.13 0.20 -0.20 0.00 -0.77 0.00 0.00 57.85 56.95 1nnb n ARG 286 Cb 0.63 -3.75 0.05 0.00 -1.02 0.00 0.00 32.46 28.36 1nnb n ARG 286 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nnb n ALA 287 N -4.58 -0.96 -3.20 7.54 0.00 0.84 -4.99 120.51 115.16 1nnb n ALA 287 Ca -0.28 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1nnb n ALA 287 Cb 0.67 -4.04 -0.10 0.00 0.00 0.00 0.00 19.45 15.98 1nnb n ALA 287 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1nnb s GLU 288 N -5.79 0.45 -0.07 0.00 2.12 -0.73 -4.39 118.70 110.30 1nnb s GLU 288 Ca 0.36 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.94 1nnb s GLU 288 Cb -0.16 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 1nnb s GLU 288 CO 0.45 -0.09 -0.22 0.42 -0.54 0.00 0.00 175.26 175.29 1nnb s ILE 289 N -0.35 2.35 -0.19 -3.70 1.01 0.39 -2.47 121.20 118.24 1nnb s ILE 289 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1nnb s ILE 289 Cb -0.03 -1.89 0.04 0.00 0.01 0.00 0.00 42.46 40.59 1nnb s ILE 289 CO 0.02 0.57 -0.08 -0.89 0.00 0.00 0.00 174.94 174.55 1nnb s THR 290 N -0.12 1.42 -0.12 2.92 2.01 0.15 0.10 115.64 122.00 1nnb s THR 290 Ca -0.04 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1nnb s THR 290 Cb -0.14 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1nnb s THR 290 CO 0.04 0.13 0.02 0.00 -0.69 0.00 0.00 174.62 174.13 1nnb s THR 292 N -0.42 2.54 0.00 0.00 2.01 -0.15 -0.83 115.64 118.80 1nnb s THR 292 Ca 0.08 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1nnb s THR 292 Cb -0.12 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1nnb s THR 292 CO 0.02 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.28 1nnb s ARG 294 N 2.07 0.19 -0.72 0.00 3.52 0.98 -4.41 118.95 120.57 1nnb s ARG 294 Ca 0.00 -0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 55.26 1nnb s ARG 294 Cb 0.00 -1.63 0.03 0.00 -1.56 0.00 0.00 34.95 31.79 1nnb s ARG 294 CO 0.00 -0.59 1.32 0.34 -0.81 0.00 0.00 175.30 175.56 1nnb s ASP 295 N 2.08 6.10 0.28 -2.12 -1.08 -1.22 -0.40 116.67 120.32 1nnb s ASP 295 Ca 0.02 -0.37 0.13 0.00 -0.52 0.00 0.00 52.55 51.82 1nnb s ASP 295 Cb -0.15 -2.56 0.34 0.00 -1.46 0.00 0.00 42.92 39.09 1nnb s ASP 295 CO -0.08 -1.87 1.58 -1.13 0.52 0.00 0.00 175.17 174.19 1nnb h ASN 296 N 10.40 0.00 0.52 -0.34 -1.24 -1.82 -3.36 115.58 119.74 1nnb h ASN 296 Ca -0.28 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.53 1nnb h ASN 296 Cb 1.06 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.07 1nnb h ASN 296 CO 1.27 0.58 -1.64 -2.67 -1.29 0.00 0.00 177.43 173.69 1nnb n TRP 297 N -3.56 0.79 0.00 0.67 4.27 -1.25 0.11 117.44 118.48 1nnb n TRP 297 Ca -0.00 0.27 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1nnb n TRP 297 Cb 0.65 -1.06 0.00 0.00 -1.36 0.00 0.00 31.31 29.54 1nnb n TRP 297 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1nnb n GLN 298 N -2.86 0.00 -3.23 -2.67 -0.06 -1.26 -1.43 117.38 105.88 1nnb n GLN 298 Ca -0.14 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.48 1nnb n GLN 298 Cb 0.90 -0.33 -0.06 0.00 -4.06 0.00 0.00 30.24 26.69 1nnb n GLN 298 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1nnb s GLY 299 N -3.78 2.70 0.00 1.69 0.00 -1.26 -4.43 107.32 102.25 1nnb s GLY 299 Ca 0.00 0.08 0.20 0.00 0.00 0.00 0.00 44.72 45.00 1nnb s GLY 299 CO 0.00 0.55 0.90 1.44 0.00 0.00 0.00 173.10 175.99 1nnb n SER 300 N 1.80 1.37 -4.85 1.64 7.64 -0.39 -4.73 113.62 116.10 1nnb n SER 300 Ca -0.09 -1.19 -0.31 0.00 1.01 0.00 0.00 58.87 58.29 1nnb n SER 300 Cb 0.50 0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 64.40 1nnb n SER 300 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nnb s ASN 301 N -2.55 5.94 -0.10 6.43 4.22 -1.26 -2.67 114.94 124.94 1nnb s ASN 301 Ca 0.12 0.13 -0.12 0.00 -2.14 0.00 0.00 52.86 50.84 1nnb s ASN 301 Cb 0.15 -1.72 -0.05 0.00 1.28 0.00 0.00 41.25 40.92 1nnb s ASN 301 CO 0.66 0.17 0.28 -0.13 -2.04 0.00 0.00 177.10 176.04 1nnb s ARG 302 N -2.44 3.93 0.46 3.55 0.52 -1.26 -4.78 118.95 118.93 1nnb s ARG 302 Ca 0.32 0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 55.49 1nnb s ARG 302 Cb -0.13 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 1nnb s ARG 302 CO 0.25 0.52 0.92 -1.25 0.02 0.00 0.00 175.30 175.76 1nnb s PRO 303 N -0.41 4.00 -0.07 3.54 0.04 -1.26 -0.73 135.00 140.11 1nnb s PRO 303 Ca 0.18 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.14 1nnb s PRO 303 Cb -0.14 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1nnb s PRO 303 CO 0.07 -0.13 -0.14 0.08 0.04 0.00 0.00 177.00 176.92 1nnb s VAL 304 N -2.41 1.25 -0.20 -0.36 1.01 0.61 -1.88 120.40 118.42 1nnb s VAL 304 Ca 0.58 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1nnb s VAL 304 Cb -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1nnb s VAL 304 CO 0.25 0.38 0.08 -0.63 0.00 0.00 0.00 175.10 175.18 1nnb s ILE 305 N 0.62 4.81 -0.17 2.22 1.01 -0.01 -1.34 121.20 128.35 1nnb s ILE 305 Ca -0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 1nnb s ILE 305 Cb -0.16 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1nnb s ILE 305 CO 0.04 0.43 -0.15 -0.60 0.00 0.00 0.00 174.94 174.67 1nnb s ARG 306 N 0.60 3.20 -0.02 2.79 6.06 0.14 -0.61 118.95 131.11 1nnb s ARG 306 Ca 0.04 -0.75 0.04 0.00 -2.50 0.00 0.00 55.73 52.56 1nnb s ARG 306 Cb -0.13 -2.67 -0.03 0.00 0.06 0.00 0.00 34.95 32.18 1nnb s ARG 306 CO 0.01 -0.06 -0.13 0.42 -2.50 0.00 0.00 175.30 173.05 1nnb s ILE 307 N 1.00 3.19 -0.34 4.11 1.01 0.12 -0.79 121.20 129.50 1nnb s ILE 307 Ca -0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 1nnb s ILE 307 Cb -0.15 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1nnb s ILE 307 CO -0.03 0.51 0.13 -0.62 0.00 0.00 0.00 174.94 174.93 1nnb s ASP 308 N -1.00 5.40 0.47 3.58 2.15 0.01 -0.46 116.67 126.82 1nnb s ASP 308 Ca 0.13 -0.94 0.28 0.00 0.43 0.00 0.00 52.55 52.45 1nnb s ASP 308 Cb -0.11 -1.92 0.85 0.00 -0.30 0.00 0.00 42.92 41.44 1nnb s ASP 308 CO 0.03 -0.30 1.79 1.55 -0.17 0.00 0.00 175.17 178.07 1nnb h PRO 309 N 8.29 0.00 0.06 4.34 0.13 -1.85 -0.14 132.00 142.84 1nnb h PRO 309 Ca -0.27 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1nnb h PRO 309 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 1nnb h PRO 309 CO 0.62 0.00 -0.35 0.28 -0.23 0.00 0.00 178.00 178.32 1nnb h VAL 310 N 0.00 1.66 -0.00 1.56 2.07 -1.91 -3.26 116.25 116.37 1nnb h VAL 310 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1nnb h VAL 310 Cb 0.74 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1nnb h VAL 310 CO 0.00 0.65 -0.13 0.00 0.02 0.00 0.00 177.57 178.11 1nnb n ALA 311 N -2.63 2.78 -4.00 1.67 0.00 -1.20 -4.92 120.51 112.22 1nnb n ALA 311 Ca -0.11 -0.26 -0.26 0.00 0.00 0.00 0.00 53.44 52.80 1nnb n ALA 311 Cb 0.62 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1nnb n ALA 311 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nnb n MET 312 N -1.02 -3.01 -4.36 0.00 0.00 -0.08 -4.99 117.12 103.65 1nnb n MET 312 Ca 0.13 0.37 -0.18 0.00 0.00 0.00 0.00 57.70 58.01 1nnb n MET 312 Cb 0.29 -4.42 -0.10 0.00 0.00 0.00 0.00 33.22 28.99 1nnb n MET 312 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1nnb s THR 313 N -4.01 1.27 0.16 2.03 -4.23 -1.13 -5.01 115.64 104.72 1nnb s THR 313 Ca 0.00 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 1nnb s THR 313 Cb -0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1nnb s THR 313 CO 0.90 -0.34 0.15 -1.38 -0.54 0.00 0.00 174.62 173.41 1nnb s HIS 314 N -3.26 0.77 0.09 3.99 -3.43 -1.26 -0.81 115.29 111.38 1nnb s HIS 314 Ca 0.28 -1.11 -0.09 0.00 -0.80 0.00 0.00 55.06 53.34 1nnb s HIS 314 Cb 0.05 -0.35 -0.00 0.00 -1.43 0.00 0.00 32.58 30.85 1nnb s HIS 314 CO 0.09 -0.62 0.20 -0.08 -2.00 0.00 0.00 174.74 172.33 1nnb s THR 315 N -4.05 0.14 0.31 -5.38 -1.32 0.03 -4.87 115.64 100.50 1nnb s THR 315 Ca 0.25 -1.16 0.06 0.00 -1.21 0.00 0.00 61.69 59.63 1nnb s THR 315 Cb 0.06 -1.34 -0.06 0.00 -1.51 0.00 0.00 72.50 69.65 1nnb s THR 315 CO 0.04 -0.64 -0.02 -0.94 -2.21 0.00 0.00 174.62 170.85 1nnb s SER 316 N -2.86 2.82 0.10 8.08 1.04 -0.95 0.27 113.70 122.21 1nnb s SER 316 Ca 0.05 -1.26 -0.25 0.00 0.48 0.00 0.00 55.95 54.97 1nnb s SER 316 Cb 0.05 -0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.07 1nnb s SER 316 CO -0.11 -0.41 1.13 -1.58 0.98 0.00 0.00 173.24 173.25 1nnb s GLN 317 N -3.76 0.92 0.42 4.02 0.74 -0.45 -2.37 119.66 119.18 1nnb s GLN 317 Ca 0.32 -0.57 0.07 0.00 0.05 0.00 0.00 55.36 55.23 1nnb s GLN 317 Cb 0.06 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 1nnb s GLN 317 CO 0.14 -0.43 0.24 0.71 -0.55 0.00 0.00 175.29 175.40 1nnb s TYR 318 N -2.31 2.56 -0.13 1.67 1.51 -1.00 -0.29 117.35 119.36 1nnb s TYR 318 Ca 0.21 -0.59 -0.27 0.00 -1.01 0.00 0.00 57.07 55.42 1nnb s TYR 318 Cb -0.01 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1nnb s TYR 318 CO 0.02 0.06 0.88 0.42 -1.11 0.00 0.00 175.55 175.82 1nnb s ILE 319 N -2.58 4.87 0.21 2.71 1.01 0.09 -4.75 121.20 122.76 1nnb s ILE 319 Ca 0.42 1.75 -0.07 0.00 0.00 0.00 0.00 60.65 62.75 1nnb s ILE 319 Cb 0.02 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.41 1nnb s ILE 319 CO 0.23 0.05 1.72 0.00 0.00 0.00 0.00 174.94 176.94 1nnb n SER 321 N -4.22 0.29 -0.25 0.00 2.88 -0.22 -3.77 113.62 108.32 1nnb n SER 321 Ca 0.04 0.73 0.14 0.00 -1.33 0.00 0.00 58.87 58.45 1nnb n SER 321 Cb 0.28 -1.36 0.52 0.00 -0.75 0.00 0.00 64.21 62.90 1nnb n SER 321 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nnb n PRO 322 N -1.17 1.01 -2.20 -1.46 -0.04 -1.26 -4.59 135.00 125.30 1nnb n PRO 322 Ca 0.13 -0.50 -0.32 0.00 -0.04 0.00 0.00 63.50 62.77 1nnb n PRO 322 Cb 0.48 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1nnb n PRO 322 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nnb s VAL 323 N -2.34 3.57 0.46 0.52 1.01 -1.26 -3.76 120.40 118.60 1nnb s VAL 323 Ca 0.31 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 1nnb s VAL 323 Cb 0.20 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1nnb s VAL 323 CO 0.45 -1.23 1.19 -0.76 0.00 0.00 0.00 175.10 174.75 1nnb s LEU 324 N 8.55 4.03 0.00 3.92 1.02 -1.26 -5.01 118.68 129.93 1nnb s LEU 324 Ca 0.63 2.37 0.05 0.00 0.02 0.00 0.00 54.13 57.20 1nnb s LEU 324 Cb -0.05 -4.20 0.09 0.00 0.02 0.00 0.00 46.19 42.04 1nnb s LEU 324 CO -0.01 -0.95 1.00 0.35 0.02 0.00 0.00 176.35 176.76 1nnb n THR 325 N -0.45 0.00 -2.71 5.49 -2.24 -1.19 -5.01 114.28 108.17 1nnb n THR 325 Ca 0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1nnb n THR 325 Cb 0.47 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1nnb n THR 325 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nnb n ASP 326 N 0.10 0.10 -3.30 3.42 -0.08 -1.09 -4.86 116.55 110.85 1nnb n ASP 326 Ca 0.01 -0.66 0.03 0.00 -1.51 0.00 0.00 54.79 52.65 1nnb n ASP 326 Cb 0.78 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.20 1nnb n ASP 326 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1nnb s ASN 327 N -0.97 -0.38 0.76 1.67 3.84 -1.26 -4.26 114.94 114.34 1nnb s ASN 327 Ca 0.00 0.49 -0.12 0.00 0.21 0.00 0.00 52.86 53.44 1nnb s ASN 327 Cb 0.00 1.42 0.05 0.00 -0.55 0.00 0.00 41.25 42.17 1nnb s ASN 327 CO 0.00 -0.07 1.11 -2.84 -2.79 0.00 0.00 177.10 172.50 1nnb s PRO 328 N 2.36 2.25 -0.01 0.43 0.02 -1.26 -3.43 135.00 135.36 1nnb s PRO 328 Ca -0.01 1.29 -0.15 0.00 0.02 0.00 0.00 61.00 62.14 1nnb s PRO 328 Cb -0.05 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.61 1nnb s PRO 328 CO -0.16 -1.67 0.32 -0.98 -0.33 0.00 0.00 177.00 174.18 1nnb s ARG 329 N -4.64 0.69 1.24 5.54 1.70 -0.41 -4.79 118.95 118.28 1nnb s ARG 329 Ca 0.64 -0.22 -0.20 0.00 -0.47 0.00 0.00 55.73 55.48 1nnb s ARG 329 Cb -0.19 0.31 0.30 0.00 -0.57 0.00 0.00 34.95 34.80 1nnb s ARG 329 CO 0.52 -0.20 1.07 -1.25 -1.08 0.00 0.00 175.30 174.37 1nnb s PRO 330 N -1.47 -1.53 0.55 3.89 0.04 -1.26 -4.69 135.00 130.53 1nnb s PRO 330 Ca -0.13 0.00 -0.18 0.00 0.04 0.00 0.00 61.00 60.74 1nnb s PRO 330 Cb -0.05 -1.55 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 1nnb s PRO 330 CO 0.04 -3.93 1.06 -0.80 0.04 0.00 0.00 177.00 173.41 1nnb s ASN 331 N -3.71 5.94 -0.17 6.66 0.01 -1.26 -4.92 114.94 117.48 1nnb s ASN 331 Ca 0.70 1.93 -0.35 0.00 -0.71 0.00 0.00 52.86 54.43 1nnb s ASN 331 Cb -0.11 -2.55 -0.12 0.00 0.41 0.00 0.00 41.25 38.88 1nnb s ASN 331 CO 0.57 -1.06 1.93 0.47 -1.51 0.00 0.00 177.10 177.49 1nnb n ASP 332 N -1.54 3.06 -3.85 -1.22 9.92 -1.26 -4.97 116.55 116.68 1nnb n ASP 332 Ca 0.09 0.86 -0.30 0.00 -0.53 0.00 0.00 54.79 54.91 1nnb n ASP 332 Cb 0.52 -1.32 0.22 0.00 -0.64 0.00 0.00 41.12 39.90 1nnb n ASP 332 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1nnb s PRO 333 N 4.47 -0.51 0.01 -0.24 0.04 -1.25 -5.01 135.00 132.51 1nnb s PRO 333 Ca 0.97 -0.32 0.22 0.00 0.04 0.00 0.00 61.00 61.91 1nnb s PRO 333 Cb -0.76 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1nnb s PRO 333 CO 0.53 -3.20 1.02 0.25 0.04 0.00 0.00 177.00 175.65 1nnb n THR 334 N -4.34 0.04 -3.95 1.26 -2.24 -1.26 -4.74 114.28 99.04 1nnb n THR 334 Ca 0.15 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1nnb n THR 334 Cb 0.59 0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 1nnb n THR 334 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nnb s VAL 335 N -3.08 0.12 0.21 2.28 1.01 -1.26 -4.68 120.40 115.00 1nnb s VAL 335 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1nnb s VAL 335 Cb 0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.30 1nnb s VAL 335 CO 0.82 -0.25 0.06 -0.83 0.00 0.00 0.00 175.10 174.90 1nnb s GLY 336 N -0.79 1.47 0.04 4.51 0.00 -0.93 -4.79 107.32 106.83 1nnb s GLY 336 Ca -0.08 -1.72 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 1nnb s GLY 336 CO -0.00 -1.54 1.06 0.54 0.00 0.00 0.00 173.10 173.16 1nnb s LYS 337 N -4.00 4.53 0.18 2.90 3.01 -1.25 -4.86 119.74 120.25 1nnb s LYS 337 Ca 0.32 1.56 0.18 0.00 -1.01 0.00 0.00 55.97 57.02 1nnb s LYS 337 Cb 0.07 -3.40 -0.02 0.00 -1.01 0.00 0.00 37.83 33.47 1nnb s LYS 337 CO 0.09 -0.09 1.09 0.00 0.51 0.00 0.00 175.35 176.96 1nnb n ASN 339 N -2.96 0.25 -4.23 0.00 4.13 -1.26 -2.38 115.26 108.81 1nnb n ASN 339 Ca -0.04 -1.06 -0.13 0.00 1.68 0.00 0.00 54.58 55.03 1nnb n ASN 339 Cb 0.73 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.87 1nnb n ASN 339 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1nnb s ASP 340 N -0.06 1.18 0.33 6.41 1.01 -1.26 -4.74 116.67 119.53 1nnb s ASP 340 Ca 0.00 -1.14 -0.29 0.00 0.71 0.00 0.00 52.55 51.82 1nnb s ASP 340 Cb 0.00 0.12 -0.12 0.00 1.01 0.00 0.00 42.92 43.93 1nnb s ASP 340 CO 0.00 -0.55 1.50 -0.81 0.21 0.00 0.00 175.17 175.52 1nnb n PRO 341 N -0.20 2.57 -2.53 8.23 -0.04 -1.26 -4.71 135.00 137.05 1nnb n PRO 341 Ca -0.07 0.91 -0.43 0.00 -0.04 0.00 0.00 63.50 63.86 1nnb n PRO 341 Cb 0.63 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 1nnb n PRO 341 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1nnb s TYR 342 N -0.55 3.08 0.88 0.54 5.04 -1.26 -4.92 117.35 120.15 1nnb s TYR 342 Ca 0.59 1.22 -0.12 0.00 -2.44 0.00 0.00 57.07 56.33 1nnb s TYR 342 Cb -0.51 -3.40 0.12 0.00 0.35 0.00 0.00 41.96 38.52 1nnb s TYR 342 CO 0.56 -1.14 1.11 -1.25 -1.34 0.00 0.00 175.55 173.49 1nnb s PRO 343 N 3.30 1.42 0.00 4.97 0.04 -1.26 -1.27 135.00 142.20 1nnb s PRO 343 Ca 0.50 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1nnb s PRO 343 Cb -0.19 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1nnb s PRO 343 CO 0.11 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1nnb n GLY 344 N -1.79 3.26 3.43 0.56 0.00 -1.26 -4.83 105.19 104.55 1nnb n GLY 344 Ca 0.07 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1nnb n GLY 344 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nnb s ASN 345 N 0.00 3.65 0.00 1.61 2.47 -1.26 -4.82 114.94 116.59 1nnb s ASN 345 Ca 0.00 -0.43 0.06 0.00 0.42 0.00 0.00 52.86 52.91 1nnb s ASN 345 Cb 0.00 -0.56 -0.03 0.00 -1.45 0.00 0.00 41.25 39.22 1nnb s ASN 345 CO 0.00 0.27 -0.18 0.20 -3.72 0.00 0.00 177.10 173.67 1nnb s ASN 346 N -1.26 3.74 -1.18 -4.21 -0.87 -1.26 -4.60 114.94 105.30 1nnb s ASN 346 Ca 0.13 -0.36 -0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1nnb s ASN 346 Cb -0.10 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.25 40.47 1nnb s ASN 346 CO 0.04 0.30 0.86 0.59 -2.57 0.00 0.00 177.10 176.32 1nnb n ASN 347 N 1.95 -3.61 -3.62 -1.22 3.02 -0.51 -4.96 115.26 106.31 1nnb n ASN 347 Ca -0.16 -0.76 -0.01 0.00 -0.03 0.00 0.00 54.58 53.62 1nnb n ASN 347 Cb 0.52 -4.63 -0.02 0.00 -0.61 0.00 0.00 39.78 35.05 1nnb n ASN 347 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nnb s ASN 348 N -3.95 -0.04 0.00 6.41 3.04 0.30 -4.93 114.94 115.77 1nnb s ASN 348 Ca 0.20 -0.01 0.00 0.00 0.04 0.00 0.00 52.86 53.09 1nnb s ASN 348 Cb -0.04 0.05 0.00 0.00 -1.54 0.00 0.00 41.25 39.72 1nnb s ASN 348 CO 0.77 -0.09 0.00 0.61 -3.04 0.00 0.00 177.10 175.36 1nnb n GLY 349 N -0.14 -0.54 3.41 1.21 0.00 -1.22 -4.64 105.19 103.26 1nnb n GLY 349 Ca 0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1nnb n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnb s VAL 350 N -3.00 0.02 0.12 1.61 0.11 -1.23 -4.79 120.40 113.24 1nnb s VAL 350 Ca 0.00 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 1nnb s VAL 350 Cb 0.00 -0.97 -0.07 0.00 -1.53 0.00 0.00 36.38 33.81 1nnb s VAL 350 CO 0.00 -0.11 1.22 -0.75 -3.33 0.00 0.00 175.10 172.13 1nnb s LYS 351 N -2.33 4.45 0.00 1.54 2.20 -1.26 -4.85 119.74 119.48 1nnb s LYS 351 Ca -0.06 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 1nnb s LYS 351 Cb -0.01 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1nnb s LYS 351 CO -0.01 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1nnb n GLY 352 N 2.77 4.05 3.76 5.54 0.00 -1.23 -1.81 105.19 118.27 1nnb n GLY 352 Ca 0.07 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 1nnb n GLY 352 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nnb s PHE 353 N -2.06 0.04 0.17 1.61 -0.71 -1.26 -4.49 117.98 111.28 1nnb s PHE 353 Ca 0.00 -0.47 -0.17 0.00 -1.04 0.00 0.00 56.93 55.25 1nnb s PHE 353 Cb 0.00 0.52 0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1nnb s PHE 353 CO 0.00 -1.17 0.47 -1.54 -1.34 0.00 0.00 175.22 171.65 1nnb s SER 354 N -2.97 -0.26 -0.17 1.98 1.04 -1.26 -3.88 113.70 108.17 1nnb s SER 354 Ca 0.16 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1nnb s SER 354 Cb -0.04 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1nnb s SER 354 CO 0.08 -0.97 -0.13 -0.31 0.98 0.00 0.00 173.24 172.89 1nnb s TYR 355 N -3.84 2.37 -0.40 5.02 2.02 -0.68 -4.90 117.35 116.93 1nnb s TYR 355 Ca 0.07 -1.45 0.02 0.00 -0.37 0.00 0.00 57.07 55.34 1nnb s TYR 355 Cb 0.00 -1.66 0.11 0.00 -0.40 0.00 0.00 41.96 40.01 1nnb s TYR 355 CO -0.07 -0.72 0.14 -0.51 -1.57 0.00 0.00 175.55 172.82 1nnb s LEU 356 N 1.42 4.78 -0.30 -1.29 1.43 -1.26 -0.86 118.68 122.59 1nnb s LEU 356 Ca 0.02 -2.35 0.19 0.00 -1.03 0.00 0.00 54.13 50.96 1nnb s LEU 356 Cb -0.14 -1.68 0.47 0.00 0.03 0.00 0.00 46.19 44.87 1nnb s LEU 356 CO -0.10 -0.38 1.10 -0.67 0.23 0.00 0.00 176.35 176.53 1nnb n ASP 357 N 4.03 1.00 0.00 2.29 2.03 -1.23 -4.99 116.55 119.68 1nnb n ASP 357 Ca 0.03 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 52.99 1nnb n ASP 357 Cb 0.40 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1nnb n ASP 357 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nnb n GLY 358 N -0.46 1.52 0.18 0.27 0.00 -1.26 -1.42 105.19 104.02 1nnb n GLY 358 Ca 0.05 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.61 1nnb n GLY 358 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nnb h VAL 359 N 0.00 0.00 -2.05 1.61 -1.51 -1.93 0.40 116.25 112.78 1nnb h VAL 359 Ca 0.00 -0.41 -0.78 0.00 -1.23 0.00 0.00 66.70 64.28 1nnb h VAL 359 Cb 0.00 1.29 -0.27 0.00 -2.13 0.00 0.00 31.29 30.18 1nnb h VAL 359 CO 0.00 0.00 1.06 -3.20 -1.23 0.00 0.00 177.57 174.20 1nnb n ASN 360 N -2.56 7.50 -4.26 4.19 5.15 -0.51 -4.45 115.26 120.31 1nnb n ASN 360 Ca 0.02 -3.81 -0.33 0.00 -0.60 0.00 0.00 54.58 49.87 1nnb n ASN 360 Cb 0.31 -1.09 -0.16 0.00 -0.53 0.00 0.00 39.78 38.31 1nnb n ASN 360 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1nnb s THR 361 N -4.94 2.46 0.16 -0.44 2.01 -1.24 -3.53 115.64 110.11 1nnb s THR 361 Ca 0.50 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1nnb s THR 361 Cb 0.39 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1nnb s THR 361 CO -0.37 0.54 -0.19 0.26 -0.69 0.00 0.00 174.62 174.17 1nnb s TRP 362 N 0.50 1.87 -0.03 4.92 0.52 -0.04 -1.76 118.94 124.92 1nnb s TRP 362 Ca -0.12 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.55 1nnb s TRP 362 Cb -0.17 -0.95 0.03 0.00 -1.15 0.00 0.00 33.47 31.23 1nnb s TRP 362 CO 0.05 0.33 -0.01 -0.51 0.02 0.00 0.00 176.95 176.84 1nnb s LEU 363 N -2.56 1.13 0.13 2.99 1.43 0.18 -1.69 118.68 120.28 1nnb s LEU 363 Ca 0.15 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1nnb s LEU 363 Cb -0.07 -0.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.83 1nnb s LEU 363 CO 0.07 -0.10 0.39 -0.83 0.23 0.00 0.00 176.35 176.10 1nnb s GLY 364 N 1.09 2.26 0.11 -3.19 0.00 -1.25 0.29 107.32 106.63 1nnb s GLY 364 Ca -0.09 -0.51 -0.25 0.00 0.00 0.00 0.00 44.72 43.88 1nnb s GLY 364 CO -0.02 -0.39 0.66 1.09 0.00 0.00 0.00 173.10 174.44 1nnb s ARG 365 N -2.47 1.17 0.36 2.90 1.70 -0.21 -4.75 118.95 117.64 1nnb s ARG 365 Ca 0.39 -0.37 -0.28 0.00 -0.47 0.00 0.00 55.73 55.00 1nnb s ARG 365 Cb -0.12 0.54 -0.12 0.00 -0.57 0.00 0.00 34.95 34.68 1nnb s ARG 365 CO 0.23 -0.50 1.40 0.25 -1.08 0.00 0.00 175.30 175.60 1nnb n THR 366 N -0.23 1.99 0.00 4.99 -2.24 -1.26 -0.93 114.28 116.60 1nnb n THR 366 Ca -0.16 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 1nnb n THR 366 Cb 0.64 -1.80 -0.09 0.00 -2.10 0.00 0.00 70.33 66.97 1nnb n THR 366 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nnb h ILE 367 N 2.78 1.27 -3.99 2.28 2.04 -1.49 -3.45 117.51 116.95 1nnb h ILE 367 Ca -0.49 -0.79 -0.54 0.00 1.00 0.00 0.00 64.86 64.04 1nnb h ILE 367 Cb 1.26 1.80 0.11 0.00 -0.74 0.00 0.00 36.82 39.25 1nnb h ILE 367 CO 0.63 0.21 0.67 -0.55 0.00 0.00 0.00 178.15 179.11 1nnb s SER 368 N -5.54 5.89 0.00 1.72 0.15 -1.11 -4.91 113.70 109.90 1nnb s SER 368 Ca -0.15 2.85 0.24 0.00 0.70 0.00 0.00 55.95 59.59 1nnb s SER 368 Cb 0.03 -2.65 0.24 0.00 -1.71 0.00 0.00 66.02 61.94 1nnb s SER 368 CO 0.67 -1.16 1.23 2.30 1.20 0.00 0.00 173.24 177.49 1nnb n ILE 369 N -0.23 0.00 -0.07 6.45 -5.35 -1.26 -4.48 119.36 114.42 1nnb n ILE 369 Ca 0.05 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1nnb n ILE 369 Cb 0.42 0.75 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 1nnb n ILE 369 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nnb n ALA 370 N -0.88 2.01 -2.24 -1.28 0.00 -1.26 -1.29 120.51 115.57 1nnb n ALA 370 Ca 0.08 -0.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.75 1nnb n ALA 370 Cb 0.37 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1nnb n ALA 370 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nnb s SER 371 N -6.12 5.18 -1.25 0.00 0.01 -1.26 -4.58 113.70 105.69 1nnb s SER 371 Ca -0.20 -0.65 -0.17 0.00 1.31 0.00 0.00 55.95 56.24 1nnb s SER 371 Cb 0.07 -0.66 0.10 0.00 0.21 0.00 0.00 66.02 65.74 1nnb s SER 371 CO 0.26 -0.62 1.62 -0.13 0.41 0.00 0.00 173.24 174.78 1nnb s ARG 372 N -4.14 3.99 0.00 12.44 0.52 -1.26 -4.58 118.95 125.93 1nnb s ARG 372 Ca 0.48 -2.13 0.02 0.00 -0.52 0.00 0.00 55.73 53.58 1nnb s ARG 372 Cb -0.05 -5.37 -0.01 0.00 0.52 0.00 0.00 34.95 30.05 1nnb s ARG 372 CO 0.28 -2.09 -0.05 -1.12 0.02 0.00 0.00 175.30 172.33 1nnb s SER 373 N 3.82 0.63 0.45 0.23 0.01 -1.26 -2.07 113.70 115.52 1nnb s SER 373 Ca 0.50 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1nnb s SER 373 Cb 0.01 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1nnb s SER 373 CO 0.04 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1nnb n GLY 374 N 2.74 -3.07 3.37 3.44 0.00 -0.18 -2.09 105.19 109.39 1nnb n GLY 374 Ca -0.14 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1nnb n GLY 374 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nnb s TYR 375 N -3.79 -0.57 0.03 1.61 5.04 0.05 -3.67 117.35 116.05 1nnb s TYR 375 Ca 0.00 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 55.94 1nnb s TYR 375 Cb 0.00 0.22 -0.02 0.00 0.35 0.00 0.00 41.96 42.51 1nnb s TYR 375 CO 0.00 -0.29 0.00 -1.83 -1.34 0.00 0.00 175.55 172.10 1nnb s GLU 376 N 0.58 0.44 -0.04 4.97 -1.05 -0.11 -0.51 118.70 122.99 1nnb s GLU 376 Ca -0.03 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1nnb s GLU 376 Cb -0.05 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 1nnb s GLU 376 CO -0.03 -0.09 -0.01 -1.64 0.95 0.00 0.00 175.26 174.44 1nnb s MET 377 N -2.24 2.85 -0.01 -4.83 -1.94 0.11 -1.05 119.30 112.19 1nnb s MET 377 Ca -0.09 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 1nnb s MET 377 Cb -0.04 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 34.11 1nnb s MET 377 CO -0.04 0.66 -0.02 -0.51 -0.01 0.00 0.00 175.02 175.10 1nnb s LEU 378 N -1.23 1.68 -0.43 -0.03 1.43 0.15 -0.71 118.68 119.54 1nnb s LEU 378 Ca 0.16 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1nnb s LEU 378 Cb -0.11 -0.20 0.04 0.00 0.03 0.00 0.00 46.19 45.94 1nnb s LEU 378 CO 0.06 -0.01 0.33 -0.75 0.23 0.00 0.00 176.35 176.21 1nnb s LYS 379 N 0.35 2.97 -0.44 1.70 2.20 0.16 0.50 119.74 127.18 1nnb s LYS 379 Ca -0.03 -1.11 0.02 0.00 -0.36 0.00 0.00 55.97 54.48 1nnb s LYS 379 Cb -0.06 -4.02 0.13 0.00 -1.51 0.00 0.00 37.83 32.37 1nnb s LYS 379 CO -0.01 -0.83 0.22 0.08 -0.36 0.00 0.00 175.35 174.46 1nnb s VAL 380 N 1.67 1.57 0.10 4.02 1.01 -0.72 -0.37 120.40 127.68 1nnb s VAL 380 Ca 0.05 -2.58 -0.33 0.00 0.00 0.00 0.00 61.98 59.12 1nnb s VAL 380 Cb -0.20 -2.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.95 1nnb s VAL 380 CO 0.09 -0.85 1.75 -2.65 0.00 0.00 0.00 175.10 173.44 1nnb n PRO 381 N 3.60 2.46 -2.41 2.72 -0.02 -1.26 -2.19 135.00 137.89 1nnb n PRO 381 Ca 0.07 0.89 -0.17 0.00 -2.02 0.00 0.00 63.50 62.27 1nnb n PRO 381 Cb 0.35 -2.73 -0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1nnb n PRO 381 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nnb n ASN 382 N 5.00 -5.04 -0.29 2.55 3.02 0.14 -4.88 115.26 115.77 1nnb n ASN 382 Ca 0.18 -0.05 0.24 0.00 -0.03 0.00 0.00 54.58 54.92 1nnb n ASN 382 Cb 0.33 -4.09 0.45 0.00 -0.61 0.00 0.00 39.78 35.85 1nnb n ASN 382 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nnb n ALA 383 N -2.05 0.78 -0.20 5.41 0.00 -0.93 -0.87 120.51 122.65 1nnb n ALA 383 Ca -0.18 0.90 -0.02 0.00 0.00 0.00 0.00 53.44 54.14 1nnb n ALA 383 Cb 0.64 -0.84 0.19 0.00 0.00 0.00 0.00 19.45 19.45 1nnb n ALA 383 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nnb h LEU 384 N 0.00 0.88 0.00 0.00 6.46 -1.90 -0.46 115.31 120.29 1nnb h LEU 384 Ca 0.69 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.36 1nnb h LEU 384 Cb 1.74 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.44 1nnb h LEU 384 CO -0.71 0.74 -0.60 0.35 -0.62 0.00 0.00 178.44 177.59 1nnb n THR 385 N -4.34 0.00 -3.26 1.05 -2.24 -0.15 -3.04 114.28 102.31 1nnb n THR 385 Ca 0.07 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.40 1nnb n THR 385 Cb 0.13 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 1nnb n THR 385 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nnb s ASP 386 N -1.61 6.18 -0.01 3.42 2.15 -0.05 -4.91 116.67 121.84 1nnb s ASP 386 Ca 0.00 -1.34 0.02 0.00 0.43 0.00 0.00 52.55 51.65 1nnb s ASP 386 Cb 0.00 -2.24 0.07 0.00 -0.30 0.00 0.00 42.92 40.45 1nnb s ASP 386 CO 0.00 -0.85 0.76 -0.90 -0.17 0.00 0.00 175.17 174.01 1nnb n ASP 387 N 5.69 1.07 0.00 -0.34 5.75 -1.26 -2.76 116.55 124.70 1nnb n ASP 387 Ca -0.11 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1nnb n ASP 387 Cb 0.43 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1nnb n ASP 387 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nnb n LYS 388 N -0.06 1.37 -2.38 0.11 5.02 -1.26 -2.19 118.16 118.77 1nnb n LYS 388 Ca 0.02 -0.97 -0.39 0.00 -2.02 0.00 0.00 58.31 54.96 1nnb n LYS 388 Cb 0.24 -0.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.38 1nnb n LYS 388 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nnb s SER 389 N -0.51 6.79 0.06 4.39 1.04 -1.11 -4.88 113.70 119.47 1nnb s SER 389 Ca 0.00 2.30 -0.03 0.00 0.48 0.00 0.00 55.95 58.69 1nnb s SER 389 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1nnb s SER 389 CO 0.00 -0.48 0.04 -0.54 0.98 0.00 0.00 173.24 173.24 1nnb s LYS 390 N -2.05 0.65 0.44 4.02 -0.14 -1.26 -4.09 119.74 117.31 1nnb s LYS 390 Ca 0.53 -1.06 -0.25 0.00 -1.36 0.00 0.00 55.97 53.82 1nnb s LYS 390 Cb -0.30 0.24 -0.08 0.00 -1.68 0.00 0.00 37.83 36.00 1nnb s LYS 390 CO 0.38 -0.15 1.41 -2.14 -0.76 0.00 0.00 175.35 174.10 1nnb s PRO 391 N -3.60 3.74 0.00 -1.68 0.02 -1.26 -4.66 135.00 127.56 1nnb s PRO 391 Ca 0.04 2.39 0.11 0.00 0.02 0.00 0.00 61.00 63.56 1nnb s PRO 391 Cb 0.05 -2.68 0.12 0.00 0.02 0.00 0.00 34.50 32.01 1nnb s PRO 391 CO -0.09 -0.76 0.92 0.25 -0.33 0.00 0.00 177.00 176.98 1nnb n THR 392 N -0.12 0.15 0.00 0.99 -2.24 0.50 -4.99 114.28 108.56 1nnb n THR 392 Ca 0.05 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1nnb n THR 392 Cb 0.42 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1nnb n THR 392 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1nnb n GLN 393 N 0.62 0.00 -3.81 -0.78 7.27 -1.25 -5.00 117.38 114.44 1nnb n GLN 393 Ca 0.07 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.07 1nnb n GLN 393 Cb 0.30 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.93 1nnb n GLN 393 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1nnb s GLY 394 N 0.00 -0.11 -0.24 1.69 0.00 -1.26 -0.67 107.32 106.73 1nnb s GLY 394 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 1nnb s GLY 394 CO 0.00 -0.10 0.58 1.62 0.00 0.00 0.00 173.10 175.20 1nnb s GLN 395 N -3.90 0.57 -0.17 2.90 0.74 0.12 -4.98 119.66 114.93 1nnb s GLN 395 Ca 0.10 1.10 -0.22 0.00 0.05 0.00 0.00 55.36 56.40 1nnb s GLN 395 Cb -0.05 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 1nnb s GLN 395 CO 0.04 -0.16 0.66 0.99 -0.55 0.00 0.00 175.29 176.26 1nnb s THR 396 N 1.75 5.02 -0.16 -0.34 2.01 -1.26 0.10 115.64 122.75 1nnb s THR 396 Ca -0.09 1.27 -0.10 0.00 0.31 0.00 0.00 61.69 63.08 1nnb s THR 396 Cb -0.07 -3.98 -0.23 0.00 0.01 0.00 0.00 72.50 68.23 1nnb s THR 396 CO -0.17 0.14 0.24 -0.38 -0.69 0.00 0.00 174.62 173.76 1nnb n ILE 397 N 4.48 1.69 -3.94 1.82 2.08 0.33 -4.57 119.36 121.25 1nnb n ILE 397 Ca -0.01 -0.49 -0.15 0.00 0.56 0.00 0.00 62.75 62.66 1nnb n ILE 397 Cb 0.50 -1.79 -0.15 0.00 -0.75 0.00 0.00 39.64 37.45 1nnb n ILE 397 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1nnb s VAL 398 N -2.51 0.14 0.67 1.39 1.01 -0.79 -0.87 120.40 119.44 1nnb s VAL 398 Ca -0.26 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1nnb s VAL 398 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1nnb s VAL 398 CO 0.70 0.08 1.07 -0.76 0.00 0.00 0.00 175.10 176.20 1nnb s LEU 399 N 0.45 3.26 0.46 3.92 1.43 -1.26 -0.77 118.68 126.16 1nnb s LEU 399 Ca -0.04 1.78 0.13 0.00 -1.03 0.00 0.00 54.13 54.97 1nnb s LEU 399 Cb -0.07 -4.52 1.04 0.00 0.03 0.00 0.00 46.19 42.67 1nnb s LEU 399 CO -0.01 -1.51 2.04 -1.13 0.23 0.00 0.00 176.35 175.97 1nnb h ASN 400 N -0.34 0.11 0.49 2.29 -1.24 -1.93 0.26 115.58 115.21 1nnb h ASN 400 Ca -0.45 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1nnb h ASN 400 Cb 1.22 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1nnb h ASN 400 CO 0.55 0.18 0.00 0.35 -1.29 0.00 0.00 177.43 177.22 1nnb n THR 401 N -4.41 0.48 -4.00 -3.57 -2.24 -1.26 -4.00 114.28 95.28 1nnb n THR 401 Ca -0.02 0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 1nnb n THR 401 Cb 0.17 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 1nnb n THR 401 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nnb s ASP 402 N -2.73 5.87 0.28 3.42 1.01 0.91 -5.00 116.67 120.44 1nnb s ASP 402 Ca 0.16 0.09 -0.26 0.00 0.71 0.00 0.00 52.55 53.24 1nnb s ASP 402 Cb 0.13 -1.67 -0.09 0.00 1.01 0.00 0.00 42.92 42.29 1nnb s ASP 402 CO 0.32 0.15 0.91 0.26 0.21 0.00 0.00 175.17 177.03 1nnb s TRP 403 N -1.49 3.77 0.00 4.23 0.52 -1.26 -1.01 118.94 123.70 1nnb s TRP 403 Ca 0.32 1.77 0.00 0.00 0.02 0.00 0.00 56.10 58.21 1nnb s TRP 403 Cb -0.12 -2.90 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 1nnb s TRP 403 CO 0.25 0.30 0.00 -1.13 0.02 0.00 0.00 176.95 176.39 1nnb n SER 404 N 0.85 0.00 0.00 2.95 3.41 -0.88 -4.52 113.62 115.43 1nnb n SER 404 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nnb n SER 404 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1nnb n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nnb n GLY 405 N 4.67 -0.51 3.60 5.00 0.00 -0.14 -1.69 105.19 116.12 1nnb n GLY 405 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1nnb n GLY 405 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nnb n TYR 406 N 3.21 0.22 -3.64 1.61 4.02 -1.26 -4.57 117.16 116.76 1nnb n TYR 406 Ca 0.00 0.31 -0.13 0.00 -0.01 0.00 0.00 57.90 58.07 1nnb n TYR 406 Cb 0.00 -1.93 -0.06 0.00 -0.02 0.00 0.00 39.34 37.33 1nnb n TYR 406 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1nnb s SER 407 N -2.50 -0.34 0.15 7.72 1.04 -0.75 -0.30 113.70 118.72 1nnb s SER 407 Ca 0.65 0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.91 1nnb s SER 407 Cb -0.23 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1nnb s SER 407 CO 0.60 -0.67 0.70 -0.83 0.98 0.00 0.00 173.24 174.02 1nnb s GLY 408 N -1.96 -0.48 0.05 7.32 0.00 -0.79 -3.51 107.32 107.95 1nnb s GLY 408 Ca -0.06 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.05 1nnb s GLY 408 CO -0.02 0.14 0.29 -1.35 0.00 0.00 0.00 173.10 172.17 1nnb s SER 409 N -2.74 6.48 0.11 1.64 1.04 -1.26 -1.73 113.70 117.24 1nnb s SER 409 Ca 0.04 0.53 -0.17 0.00 0.48 0.00 0.00 55.95 56.84 1nnb s SER 409 Cb -0.02 -2.07 0.04 0.00 0.10 0.00 0.00 66.02 64.06 1nnb s SER 409 CO -0.08 0.19 0.41 0.72 0.98 0.00 0.00 173.24 175.46 1nnb s PHE 410 N -1.43 -0.22 -0.01 5.02 -0.71 -0.93 -4.69 117.98 115.01 1nnb s PHE 410 Ca 0.32 -0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 56.15 1nnb s PHE 410 Cb -0.13 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.94 1nnb s PHE 410 CO 0.20 -0.69 0.04 -1.64 -1.34 0.00 0.00 175.22 171.80 1nnb s MET 411 N -3.60 0.14 -1.16 1.99 -1.94 -1.26 -1.72 119.30 111.75 1nnb s MET 411 Ca 0.02 -0.09 -0.19 0.00 -1.71 0.00 0.00 55.69 53.72 1nnb s MET 411 Cb 0.01 0.06 0.08 0.00 2.01 0.00 0.00 34.83 36.99 1nnb s MET 411 CO -0.11 -0.02 1.54 0.34 -0.01 0.00 0.00 175.02 176.76 1nnb s ASP 412 N -0.36 6.74 0.22 3.03 2.15 -1.26 -4.70 116.67 122.49 1nnb s ASP 412 Ca -0.04 -2.15 0.14 0.00 0.43 0.00 0.00 52.55 50.94 1nnb s ASP 412 Cb -0.03 -2.54 0.77 0.00 -0.30 0.00 0.00 42.92 40.83 1nnb s ASP 412 CO 0.00 -1.22 1.42 -1.22 -0.17 0.00 0.00 175.17 173.98 1nnb n TYR 413 N 8.02 0.48 -0.23 -5.34 4.01 -1.26 -0.64 117.16 122.20 1nnb n TYR 413 Ca 0.40 0.25 0.08 0.00 -0.16 0.00 0.00 57.90 58.47 1nnb n TYR 413 Cb 0.48 -0.88 0.22 0.00 -0.31 0.00 0.00 39.34 38.84 1nnb n TYR 413 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1nnb n TRP 414 N -2.00 0.65 -2.16 -0.72 8.01 -1.26 -4.98 117.44 114.98 1nnb n TRP 414 Ca -0.01 -0.49 -0.36 0.00 -1.31 0.00 0.00 57.50 55.33 1nnb n TRP 414 Cb 0.05 -0.02 0.01 0.00 -2.01 0.00 0.00 31.31 29.34 1nnb n TRP 414 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1nnb s ALA 415 N -1.01 2.79 0.45 6.99 0.00 0.18 -5.01 121.76 126.16 1nnb s ALA 415 Ca 0.33 0.96 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 1nnb s ALA 415 Cb 0.17 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 1nnb s ALA 415 CO 0.23 -0.86 1.28 -1.83 0.00 0.00 0.00 175.76 174.58 1nnb s GLU 416 N -3.02 3.73 0.00 0.00 1.03 -1.26 -4.95 118.70 114.24 1nnb s GLU 416 Ca 0.70 2.09 0.00 0.00 0.03 0.00 0.00 54.97 57.79 1nnb s GLU 416 Cb -0.29 -2.56 0.00 0.00 -0.80 0.00 0.00 34.13 30.48 1nnb s GLU 416 CO 0.33 -0.66 0.00 0.41 -1.33 0.00 0.00 175.26 174.01 1nnb n GLY 417 N 0.62 1.12 0.11 -3.83 0.00 -1.26 -4.91 105.19 97.03 1nnb n GLY 417 Ca 0.06 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 43.85 1nnb n GLY 417 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nnb n GLU 418 N -0.99 0.61 -4.16 1.61 1.02 -1.26 -4.94 120.64 112.54 1nnb n GLU 418 Ca 0.00 0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1nnb n GLU 418 Cb 0.00 -1.82 -0.10 0.00 -0.02 0.00 0.00 31.44 29.50 1nnb n GLU 418 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnb s TYR 420 N -3.84 3.28 -0.20 0.00 2.02 0.25 -4.71 117.35 114.15 1nnb s TYR 420 Ca 0.17 1.05 -0.27 0.00 -0.37 0.00 0.00 57.07 57.65 1nnb s TYR 420 Cb 0.07 -3.08 -0.00 0.00 -0.40 0.00 0.00 41.96 38.54 1nnb s TYR 420 CO -0.02 -0.43 0.91 0.50 -1.57 0.00 0.00 175.55 174.93 1nnb s ARG 421 N 2.86 4.27 0.20 -0.62 3.52 -1.26 -0.62 118.95 127.29 1nnb s ARG 421 Ca 0.34 1.13 -0.30 0.00 -0.13 0.00 0.00 55.73 56.77 1nnb s ARG 421 Cb -0.15 -3.61 -0.08 0.00 -1.56 0.00 0.00 34.95 29.55 1nnb s ARG 421 CO 0.09 -0.47 1.01 0.00 -0.81 0.00 0.00 175.30 175.12 1nnb s ALA 422 N 2.63 3.34 0.30 6.12 0.00 -1.26 -4.49 121.76 128.40 1nnb s ALA 422 Ca 0.40 0.71 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1nnb s ALA 422 Cb -0.16 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1nnb s ALA 422 CO 0.10 -0.01 0.09 0.00 0.00 0.00 0.00 175.76 175.94 1nnb s PHE 424 N -3.54 -0.32 0.03 0.00 -0.12 0.33 -2.18 117.98 112.18 1nnb s PHE 424 Ca 0.36 0.10 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 1nnb s PHE 424 Cb 0.07 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1nnb s PHE 424 CO 0.15 -0.73 -0.06 1.52 -0.05 0.00 0.00 175.22 176.04 1nnb s TYR 425 N -3.35 0.55 -0.09 3.49 -0.85 -0.71 -1.55 117.35 114.84 1nnb s TYR 425 Ca 0.07 -0.47 0.05 0.00 -0.52 0.00 0.00 57.07 56.19 1nnb s TYR 425 Cb -0.01 -0.34 -0.00 0.00 0.38 0.00 0.00 41.96 41.98 1nnb s TYR 425 CO -0.06 -0.10 -0.24 0.08 -1.52 0.00 0.00 175.55 173.71 1nnb s VAL 426 N -1.29 2.11 0.00 -3.49 1.01 -0.78 -1.89 120.40 116.08 1nnb s VAL 426 Ca -0.10 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1nnb s VAL 426 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1nnb s VAL 426 CO 0.00 0.56 0.89 -0.70 0.00 0.00 0.00 175.10 175.86 1nnb s GLU 427 N 0.16 4.54 -0.69 2.72 2.12 0.58 -2.76 118.70 125.38 1nnb s GLU 427 Ca -0.13 1.27 -0.07 0.00 0.36 0.00 0.00 54.97 56.40 1nnb s GLU 427 Cb -0.16 -3.44 0.18 0.00 0.26 0.00 0.00 34.13 30.97 1nnb s GLU 427 CO 0.07 0.04 0.55 -0.51 -0.54 0.00 0.00 175.26 174.87 1nnb s LEU 428 N 0.73 5.76 0.22 2.70 1.02 -1.05 -0.97 118.68 127.09 1nnb s LEU 428 Ca 0.47 -2.79 -0.30 0.00 0.02 0.00 0.00 54.13 51.53 1nnb s LEU 428 Cb -0.20 -1.98 -0.09 0.00 0.02 0.00 0.00 46.19 43.94 1nnb s LEU 428 CO 0.25 -0.44 1.22 -0.63 0.02 0.00 0.00 176.35 176.77 1nnb s ILE 429 N 0.03 3.39 0.28 -0.59 1.01 -0.68 -1.70 121.20 122.95 1nnb s ILE 429 Ca 0.17 1.21 0.09 0.00 0.00 0.00 0.00 60.65 62.13 1nnb s ILE 429 Cb -0.17 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1nnb s ILE 429 CO -0.05 0.21 -0.13 -0.13 0.00 0.00 0.00 174.94 174.84 1nnb s ARG 430 N -0.53 1.61 1.96 2.79 1.81 0.64 -4.69 118.95 122.55 1nnb s ARG 430 Ca 0.52 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.76 1nnb s ARG 430 Cb -0.34 -1.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.69 1nnb s ARG 430 CO 0.39 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.61 1nnb n GLY 431 N -0.60 -0.03 3.82 -3.53 0.00 -1.26 -1.52 105.19 102.06 1nnb n GLY 431 Ca -0.06 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1nnb n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nnb s ARG 432 N 0.00 4.13 0.15 1.61 0.52 0.38 -0.47 118.95 125.27 1nnb s ARG 432 Ca 0.00 1.17 -0.09 0.00 -0.52 0.00 0.00 55.73 56.30 1nnb s ARG 432 Cb 0.00 -2.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 1nnb s ARG 432 CO 0.00 -0.13 1.46 -1.00 0.02 0.00 0.00 175.30 175.66 1nnb h PRO 433 N 1.82 0.80 0.00 3.54 0.13 -1.93 -3.43 132.00 132.93 1nnb h PRO 433 Ca -0.49 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1nnb h PRO 433 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nnb h PRO 433 CO 0.61 1.10 0.00 1.63 -0.23 0.00 0.00 178.00 181.11 1nnb n LYS 434 N -4.01 0.11 -3.68 0.86 4.01 -1.20 -3.72 118.16 110.52 1nnb n LYS 434 Ca -0.03 0.32 -0.28 0.00 -0.51 0.00 0.00 58.31 57.82 1nnb n LYS 434 Cb 0.59 -1.70 -0.11 0.00 -0.51 0.00 0.00 35.03 33.30 1nnb n LYS 434 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1nnb s GLU 435 N -3.16 1.77 0.50 1.97 2.02 0.38 -4.99 118.70 117.19 1nnb s GLU 435 Ca 0.06 -2.78 0.18 0.00 0.02 0.00 0.00 54.97 52.46 1nnb s GLU 435 Cb 0.10 -2.55 1.25 0.00 0.10 0.00 0.00 34.13 33.03 1nnb s GLU 435 CO 0.35 -1.32 2.06 -0.44 0.02 0.00 0.00 175.26 175.93 1nnb h ASP 436 N 5.56 0.09 0.00 -0.19 3.32 -1.80 -3.20 116.42 120.20 1nnb h ASP 436 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1nnb h ASP 436 Cb 0.83 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1nnb h ASP 436 CO 0.56 0.06 0.09 0.11 -1.72 0.00 0.00 179.24 178.34 1nnb h LYS 437 N 0.10 0.00 -6.29 3.56 1.57 -1.94 -3.42 116.57 110.16 1nnb h LYS 437 Ca 0.15 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.34 1nnb h LYS 437 Cb 0.45 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 1nnb h LYS 437 CO -0.02 0.00 -0.69 0.14 -0.57 0.00 0.00 179.45 178.31 1nnb s VAL 438 N -3.94 3.18 -2.84 0.50 -7.23 -1.21 -4.94 120.40 103.93 1nnb s VAL 438 Ca -0.04 -1.92 0.25 0.00 -1.81 0.00 0.00 61.98 58.45 1nnb s VAL 438 Cb 0.10 -2.66 0.23 0.00 0.56 0.00 0.00 36.38 34.62 1nnb s VAL 438 CO 0.31 -0.29 1.33 0.79 -0.31 0.00 0.00 175.10 176.93 1nnb n TRP 439 N -0.54 0.00 -3.87 2.82 7.02 -1.26 -4.65 117.44 116.95 1nnb n TRP 439 Ca -0.08 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.17 1nnb n TRP 439 Cb 0.58 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.42 1nnb n TRP 439 CO 0.00 0.00 0.00 1.67 -2.02 0.00 0.00 177.69 177.34 1nnb s TRP 440 N -2.04 2.44 -0.16 -5.99 1.48 -1.26 -2.25 118.94 111.16 1nnb s TRP 440 Ca 0.29 -0.61 -0.04 0.00 -1.06 0.00 0.00 56.10 54.68 1nnb s TRP 440 Cb 0.20 -2.03 0.05 0.00 -1.16 0.00 0.00 33.47 30.54 1nnb s TRP 440 CO 0.33 -0.06 0.06 0.99 -4.06 0.00 0.00 176.95 174.20 1nnb s THR 441 N -2.59 0.16 0.00 0.66 2.01 -1.26 -0.47 115.64 114.15 1nnb s THR 441 Ca 0.42 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1nnb s THR 441 Cb -0.00 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1nnb s THR 441 CO 0.24 -0.16 0.00 -0.24 -0.69 0.00 0.00 174.62 173.77 1nnb n SER 442 N 5.19 1.37 -3.76 3.53 2.88 -0.58 -4.63 113.62 117.63 1nnb n SER 442 Ca -0.07 -0.34 -0.08 0.00 -1.33 0.00 0.00 58.87 57.05 1nnb n SER 442 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 1nnb n SER 442 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nnb s ASN 443 N 0.32 -0.31 0.26 -3.46 2.20 -1.26 -0.26 114.94 112.43 1nnb s ASN 443 Ca 0.00 -0.46 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 1nnb s ASN 443 Cb 0.00 0.67 -0.00 0.00 -2.00 0.00 0.00 41.25 39.92 1nnb s ASN 443 CO 0.00 -1.21 0.01 -0.24 -2.94 0.00 0.00 177.10 172.71 1nnb n SER 444 N -0.44 2.56 -4.17 3.54 2.88 -0.69 -4.52 113.62 112.78 1nnb n SER 444 Ca -0.07 -2.15 -0.18 0.00 -1.33 0.00 0.00 58.87 55.14 1nnb n SER 444 Cb 0.60 0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 64.17 1nnb n SER 444 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1nnb s ILE 445 N -1.99 1.10 -0.03 2.46 1.01 -1.26 -2.52 121.20 119.97 1nnb s ILE 445 Ca 0.01 -1.33 0.02 0.00 0.00 0.00 0.00 60.65 59.35 1nnb s ILE 445 Cb 0.00 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1nnb s ILE 445 CO 0.01 -0.25 -0.07 0.54 0.00 0.00 0.00 174.94 175.16 1nnb s VAL 446 N -1.36 0.69 -0.02 2.92 0.11 -1.11 -3.06 120.40 118.57 1nnb s VAL 446 Ca -0.01 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.82 1nnb s VAL 446 Cb -0.09 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1nnb s VAL 446 CO 0.02 0.23 -0.23 -0.55 -3.33 0.00 0.00 175.10 171.24 1nnb s SER 447 N 0.41 2.73 0.19 3.54 0.15 0.52 -1.87 113.70 119.37 1nnb s SER 447 Ca -0.06 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.25 1nnb s SER 447 Cb -0.10 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 1nnb s SER 447 CO 0.01 0.28 -0.16 -0.04 1.20 0.00 0.00 173.24 174.52 1nnb s MET 448 N -0.51 1.30 0.17 5.44 -1.94 -0.60 0.02 119.30 123.18 1nnb s MET 448 Ca 0.08 -1.50 0.03 0.00 -1.71 0.00 0.00 55.69 52.59 1nnb s MET 448 Cb -0.09 -1.23 -0.05 0.00 2.01 0.00 0.00 34.83 35.47 1nnb s MET 448 CO -0.01 0.23 -0.04 0.00 -0.01 0.00 0.00 175.02 175.19 1nnb s SER 450 N -3.18 4.30 -0.05 0.00 1.04 0.37 0.15 113.70 116.33 1nnb s SER 450 Ca 0.21 0.94 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 1nnb s SER 450 Cb 0.05 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.66 1nnb s SER 450 CO 0.03 -2.05 0.14 -0.55 0.98 0.00 0.00 173.24 171.79 1nnb s SER 451 N -4.30 -0.14 0.22 7.02 0.15 0.61 -4.64 113.70 112.61 1nnb s SER 451 Ca 0.62 0.27 0.26 0.00 0.70 0.00 0.00 55.95 57.80 1nnb s SER 451 Cb -0.13 0.29 0.82 0.00 -1.71 0.00 0.00 66.02 65.29 1nnb s SER 451 CO 0.51 -0.06 1.77 0.35 1.20 0.00 0.00 173.24 177.01 1nnb n THR 452 N 2.96 0.63 -0.64 6.45 -2.24 -1.21 -0.16 114.28 120.07 1nnb n THR 452 Ca -0.13 -0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 1nnb n THR 452 Cb 0.59 -0.64 0.24 0.00 -2.10 0.00 0.00 70.33 68.42 1nnb n THR 452 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nnb s GLU 453 N -3.12 -0.77 -0.86 -0.78 0.41 -1.26 -4.55 118.70 107.77 1nnb s GLU 453 Ca 0.10 0.78 0.01 0.00 -0.41 0.00 0.00 54.97 55.45 1nnb s GLU 453 Cb 0.12 -1.58 0.28 0.00 -1.78 0.00 0.00 34.13 31.18 1nnb s GLU 453 CO 0.58 -3.61 1.13 1.19 -0.49 0.00 0.00 175.26 174.06 1nnb n PHE 454 N -4.83 2.96 -2.35 1.61 3.72 -1.26 -3.06 117.46 114.25 1nnb n PHE 454 Ca 0.03 -3.36 -0.34 0.00 -0.05 0.00 0.00 57.45 53.74 1nnb n PHE 454 Cb 0.55 -0.90 -0.01 0.00 -0.94 0.00 0.00 39.48 38.17 1nnb n PHE 454 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nnb s LEU 455 N -2.70 3.74 0.88 4.37 1.43 -1.26 -5.03 118.68 120.12 1nnb s LEU 455 Ca 0.36 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1nnb s LEU 455 Cb 0.10 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.89 1nnb s LEU 455 CO 0.04 -1.01 1.11 -0.83 0.23 0.00 0.00 176.35 175.89 1nnb s GLY 456 N -2.07 1.66 0.02 -3.19 0.00 -1.26 -4.86 107.32 97.61 1nnb s GLY 456 Ca 0.68 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.74 1nnb s GLY 456 CO 0.25 0.72 -0.15 -0.86 0.00 0.00 0.00 173.10 173.06 1nnb s GLN 457 N -4.78 2.24 0.38 2.90 -2.07 -1.26 -5.03 119.66 112.04 1nnb s GLN 457 Ca 0.64 -0.89 0.01 0.00 -1.82 0.00 0.00 55.36 53.30 1nnb s GLN 457 Cb -0.20 -2.29 0.01 0.00 -1.09 0.00 0.00 33.01 29.44 1nnb s GLN 457 CO 0.58 0.56 0.04 1.87 -1.32 0.00 0.00 175.29 177.02 1nnb n TRP 458 N 1.63 0.62 -4.25 9.60 -0.00 -1.26 -5.11 117.44 118.67 1nnb n TRP 458 Ca -0.16 -1.82 -0.18 0.00 -0.00 0.00 0.00 57.50 55.34 1nnb n TRP 458 Cb 0.52 -0.26 -0.11 0.00 -0.00 0.00 0.00 31.31 31.46 1nnb n TRP 458 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 1nnb s ASP 459 N -3.09 2.03 -0.51 5.87 -4.77 -1.26 -4.63 116.67 110.31 1nnb s ASP 459 Ca 0.03 -0.81 0.05 0.00 -3.30 0.00 0.00 52.55 48.52 1nnb s ASP 459 Cb -0.00 -0.07 0.20 0.00 -1.09 0.00 0.00 42.92 41.96 1nnb s ASP 459 CO 0.02 -0.14 0.48 0.79 0.70 0.00 0.00 175.17 177.02 1nnb n TRP 460 N 0.52 0.85 -1.37 2.11 7.02 -0.05 -4.99 117.44 121.52 1nnb n TRP 460 Ca -0.15 -3.73 -0.31 0.00 -1.02 0.00 0.00 57.50 52.30 1nnb n TRP 460 Cb 0.57 -0.21 0.09 0.00 -2.42 0.00 0.00 31.31 29.34 1nnb n TRP 460 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1nnb s PRO 461 N -0.96 2.25 0.14 -0.99 0.05 -1.26 -4.80 135.00 129.43 1nnb s PRO 461 Ca 0.33 0.98 -0.16 0.00 0.05 0.00 0.00 61.00 62.19 1nnb s PRO 461 Cb 0.07 -1.91 -0.00 0.00 0.05 0.00 0.00 34.50 32.71 1nnb s PRO 461 CO -0.15 -1.60 1.74 0.22 0.05 0.00 0.00 177.00 177.27 1nnb h ASP 462 N -1.08 0.49 0.00 6.66 3.58 -1.94 -3.47 116.42 120.65 1nnb h ASP 462 Ca -0.45 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1nnb h ASP 462 Cb 1.24 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1nnb h ASP 462 CO 0.54 0.44 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 1nnb n GLY 463 N -0.98 0.70 3.86 -0.78 0.00 -1.26 -4.81 105.19 101.91 1nnb n GLY 463 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1nnb n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnb s ALA 464 N -2.27 3.17 -0.38 4.61 0.00 -1.26 -4.84 121.76 120.79 1nnb s ALA 464 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1nnb s ALA 464 Cb 0.00 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 20.24 1nnb s ALA 464 CO 0.00 -0.20 0.15 0.15 0.00 0.00 0.00 175.76 175.86 1nnb s LYS 465 N -4.09 2.12 0.61 0.00 -0.14 -1.26 -4.97 119.74 112.00 1nnb s LYS 465 Ca 0.56 -1.66 0.38 0.00 -1.36 0.00 0.00 55.97 53.89 1nnb s LYS 465 Cb -0.10 -3.48 1.93 0.00 -1.68 0.00 0.00 37.83 34.50 1nnb s LYS 465 CO 0.33 -0.94 2.21 0.82 -0.76 0.00 0.00 175.35 177.00 1nnb h ILE 466 N 6.38 0.12 0.00 2.17 1.08 -2.01 0.44 117.51 125.69 1nnb h ILE 466 Ca -0.15 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 1nnb h ILE 466 Cb 1.05 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 1nnb h ILE 466 CO 0.65 0.02 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.58 1nnb h GLU 467 N 0.00 0.00 0.00 2.37 3.07 -2.01 -1.13 114.58 116.87 1nnb h GLU 467 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nnb h GLU 467 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1nnb h GLU 467 CO 0.00 0.22 0.00 0.66 -1.40 0.00 0.00 179.01 178.50 1nnb n TYR 468 N -3.55 0.32 1.10 4.33 4.01 0.15 -1.58 117.16 121.92 1nnb n TYR 468 Ca -0.01 0.12 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 1nnb n TYR 468 Cb 0.37 -0.69 0.15 0.00 -0.31 0.00 0.00 39.34 38.86 1nnb n TYR 468 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1nnb n PHE 469 N -1.78 0.00 1.45 -0.72 3.72 -0.43 -5.13 117.46 114.57 1nnb n PHE 469 Ca 0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.57 1nnb n PHE 469 Cb 0.22 -0.05 0.48 0.00 -0.94 0.00 0.00 39.48 39.20 1nnb n PHE 469 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99