#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n9u s ALA 83 N 0.00 -0.55 0.17 0.00 0.00 -1.26 -1.26 121.76 118.86 3n9u s ALA 83 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3n9u s ALA 83 Cb 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 3n9u s ALA 83 CO 0.00 -0.56 -0.04 0.14 0.00 0.00 0.00 175.76 175.31 3n9u s VAL 84 N -3.74 0.90 -0.13 0.00 -7.23 -0.58 -2.40 120.40 107.23 3n9u s VAL 84 Ca 0.03 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 3n9u s VAL 84 Cb 0.03 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3n9u s VAL 84 CO -0.11 -0.56 0.06 -0.31 -0.31 0.00 0.00 175.10 173.87 3n9u s TYR 85 N -3.51 3.33 -0.04 2.82 2.02 0.69 -0.85 117.35 121.81 3n9u s TYR 85 Ca 0.21 0.27 0.05 0.00 -0.37 0.00 0.00 57.07 57.23 3n9u s TYR 85 Cb 0.05 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 3n9u s TYR 85 CO 0.03 0.46 -0.19 0.08 -1.57 0.00 0.00 175.55 174.36 3n9u s VAL 86 N -0.56 1.59 0.00 0.71 1.01 -0.09 -1.46 120.40 121.60 3n9u s VAL 86 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3n9u s VAL 86 Cb -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3n9u s VAL 86 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3n9u n GLY 87 N 2.96 0.10 3.76 4.51 0.00 -0.77 -1.26 105.19 114.49 3n9u n GLY 87 Ca -0.17 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 3n9u n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9u s SER 88 N 0.00 5.37 0.25 1.61 0.01 -1.26 0.19 113.70 119.87 3n9u s SER 88 Ca 0.00 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.07 3n9u s SER 88 Cb 0.00 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 3n9u s SER 88 CO 0.00 0.12 0.36 0.72 0.41 0.00 0.00 173.24 174.85 3n9u s PHE 89 N -1.58 0.78 0.83 2.43 -0.12 0.32 -4.79 117.98 115.86 3n9u s PHE 89 Ca 0.29 -1.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.01 3n9u s PHE 89 Cb -0.11 -0.13 0.10 0.00 -0.63 0.00 0.00 43.02 42.25 3n9u s PHE 89 CO 0.22 -0.90 1.11 -1.54 -0.05 0.00 0.00 175.22 174.06 3n9u s SER 90 N -3.11 3.85 0.20 1.98 1.04 -1.26 -4.25 113.70 112.14 3n9u s SER 90 Ca 0.30 1.92 0.21 0.00 0.48 0.00 0.00 55.95 58.85 3n9u s SER 90 Cb 0.02 -2.51 0.89 0.00 0.10 0.00 0.00 66.02 64.52 3n9u s SER 90 CO 0.12 -2.47 1.64 -2.67 0.98 0.00 0.00 173.24 170.84 3n9u n TRP 91 N -3.81 0.61 0.14 5.02 4.27 -1.26 -1.88 117.44 120.52 3n9u n TRP 91 Ca 0.10 0.24 0.12 0.00 -3.89 0.00 0.00 57.50 54.07 3n9u n TRP 91 Cb 0.53 -0.89 0.26 0.00 -1.36 0.00 0.00 31.31 29.85 3n9u n TRP 91 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 3n9u n TRP 92 N -2.06 0.66 -2.19 -2.67 2.14 -1.26 -4.48 117.44 107.58 3n9u n TRP 92 Ca 0.02 -0.33 -0.42 0.00 2.07 0.00 0.00 57.50 58.84 3n9u n TRP 92 Cb 0.20 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.67 3n9u n TRP 92 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 3n9u s THR 93 N -1.34 3.58 0.26 -1.67 2.01 -0.79 -5.00 115.64 112.69 3n9u s THR 93 Ca 0.42 1.01 0.03 0.00 0.31 0.00 0.00 61.69 63.46 3n9u s THR 93 Cb 0.23 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3n9u s THR 93 CO 0.32 0.01 0.41 0.42 -0.69 0.00 0.00 174.62 175.09 3n9u s THR 94 N 2.16 5.22 0.28 -0.82 -4.23 -1.26 -4.99 115.64 111.99 3n9u s THR 94 Ca 0.65 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 3n9u s THR 94 Cb -0.33 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 69.98 3n9u s THR 94 CO 0.28 -0.36 1.63 -2.24 -0.54 0.00 0.00 174.62 173.39 3n9u h ASP 95 N 1.20 -0.12 -0.59 3.99 3.04 -1.99 -1.84 116.42 120.10 3n9u h ASP 95 Ca -0.51 0.21 -0.10 0.00 -3.24 0.00 0.00 57.03 53.39 3n9u h ASP 95 Cb 1.22 0.31 -0.02 0.00 -1.04 0.00 0.00 39.33 39.80 3n9u h ASP 95 CO 0.62 -0.19 -0.00 -0.61 -2.04 0.00 0.00 179.24 177.02 3n9u h GLN 96 N 0.16 1.05 -0.56 4.15 4.15 -1.99 -0.90 115.11 121.18 3n9u h GLN 96 Ca 0.53 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 3n9u h GLN 96 Cb 1.06 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.63 3n9u h GLN 96 CO -0.69 1.03 -0.03 1.96 -1.93 0.00 0.00 178.83 179.17 3n9u h GLN 97 N 0.96 1.00 -0.19 1.69 4.20 -1.82 -1.01 115.11 119.94 3n9u h GLN 97 Ca 0.17 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 3n9u h GLN 97 Cb 0.56 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3n9u h GLN 97 CO 0.03 1.00 -0.07 1.25 -0.67 0.00 0.00 178.83 180.36 3n9u h LEU 98 N 0.91 0.40 -1.17 1.46 5.85 -1.12 -2.30 115.31 119.34 3n9u h LEU 98 Ca 0.16 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3n9u h LEU 98 Cb 0.57 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3n9u h LEU 98 CO 0.03 0.71 0.41 0.40 -0.34 0.00 0.00 178.44 179.64 3n9u h ILE 99 N 0.10 1.21 -0.45 4.05 1.08 -1.10 -1.57 117.51 120.82 3n9u h ILE 99 Ca 0.05 -0.49 -0.14 0.00 -0.39 0.00 0.00 64.86 63.89 3n9u h ILE 99 Cb 0.54 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 3n9u h ILE 99 CO 0.02 0.23 -0.25 1.56 -0.69 0.00 0.00 178.15 179.02 3n9u h GLN 100 N 0.99 0.95 -0.30 2.37 7.50 -1.05 -0.04 115.11 125.53 3n9u h GLN 100 Ca 0.25 -0.42 -0.13 0.00 0.50 0.00 0.00 58.65 58.85 3n9u h GLN 100 Cb -0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 3n9u h GLN 100 CO -0.04 1.09 -0.35 -0.24 -1.50 0.00 0.00 178.83 177.79 3n9u h VAL 101 N 0.81 1.29 -0.43 -0.54 3.04 -1.21 -1.19 116.25 118.02 3n9u h VAL 101 Ca 0.10 -1.50 -0.02 0.00 -1.01 0.00 0.00 66.70 64.28 3n9u h VAL 101 Cb 0.83 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 3n9u h VAL 101 CO 0.07 0.48 0.20 0.40 -1.01 0.00 0.00 177.57 177.71 3n9u h ILE 102 N 0.57 1.18 -0.98 3.17 2.04 -1.13 -2.73 117.51 119.63 3n9u h ILE 102 Ca 0.06 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3n9u h ILE 102 Cb 0.86 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 3n9u h ILE 102 CO 0.07 0.20 0.64 0.03 0.00 0.00 0.00 178.15 179.10 3n9u h ARG 103 N 0.55 1.19 0.00 2.37 3.08 -0.86 -2.36 114.38 118.35 3n9u h ARG 103 Ca 0.15 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3n9u h ARG 103 Cb 0.13 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3n9u h ARG 103 CO -0.02 0.79 -0.00 0.66 -1.07 0.00 0.00 179.97 180.33 3n9u h SER 104 N 1.22 0.00 -0.57 7.04 4.64 -0.91 0.45 113.55 125.42 3n9u h SER 104 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3n9u h SER 104 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3n9u h SER 104 CO -0.13 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.13 3n9u n ILE 105 N -3.09 0.84 -0.35 0.95 -5.35 -0.93 -4.96 119.36 106.48 3n9u n ILE 105 Ca -0.02 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3n9u n ILE 105 Cb 0.12 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 3n9u n ILE 105 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3n9u n GLY 106 N 1.43 0.79 3.49 3.28 0.00 0.15 -4.98 105.19 109.34 3n9u n GLY 106 Ca 0.21 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3n9u n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n9u s VAL 107 N -2.00 4.75 0.00 1.61 1.01 -0.98 -4.95 120.40 119.84 3n9u s VAL 107 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3n9u s VAL 107 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3n9u s VAL 107 CO 0.00 0.19 0.79 -1.22 0.00 0.00 0.00 175.10 174.86 3n9u n TYR 108 N 4.99 0.00 -1.72 5.22 4.01 -1.26 -3.66 117.16 124.74 3n9u n TYR 108 Ca -0.14 -0.31 -0.25 0.00 -0.16 0.00 0.00 57.90 57.04 3n9u n TYR 108 Cb 0.51 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.57 3n9u n TYR 108 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3n9u n ASP 109 N -0.31 5.44 -4.65 7.72 5.75 -1.26 -5.00 116.55 124.23 3n9u n ASP 109 Ca 0.00 -3.77 -0.42 0.00 -0.01 0.00 0.00 54.79 50.59 3n9u n ASP 109 Cb 0.25 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.73 3n9u n ASP 109 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3n9u s VAL 110 N -4.47 3.54 -0.07 2.12 1.01 -1.26 -1.12 120.40 120.14 3n9u s VAL 110 Ca 0.54 0.64 0.14 0.00 0.00 0.00 0.00 61.98 63.30 3n9u s VAL 110 Cb 0.44 -3.45 -0.23 0.00 0.00 0.00 0.00 36.38 33.15 3n9u s VAL 110 CO 0.02 -0.09 0.57 0.55 0.00 0.00 0.00 175.10 176.15 3n9u n VAL 111 N 5.72 1.56 -3.68 2.92 3.14 0.64 -4.95 118.33 123.68 3n9u n VAL 111 Ca 0.18 -0.80 -0.13 0.00 -2.96 0.00 0.00 64.34 60.63 3n9u n VAL 111 Cb 0.43 -0.93 -0.08 0.00 -1.06 0.00 0.00 33.84 32.19 3n9u n VAL 111 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3n9u s GLU 112 N -2.59 0.65 -0.30 1.45 2.12 -1.01 -5.00 118.70 114.02 3n9u s GLU 112 Ca -0.05 0.85 -0.06 0.00 0.36 0.00 0.00 54.97 56.07 3n9u s GLU 112 Cb 0.08 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.76 3n9u s GLU 112 CO 0.83 -0.10 0.06 -0.51 -0.54 0.00 0.00 175.26 175.00 3n9u s LEU 113 N 0.57 3.89 -0.32 2.70 1.43 -1.26 -0.78 118.68 124.91 3n9u s LEU 113 Ca -0.02 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3n9u s LEU 113 Cb -0.05 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.42 3n9u s LEU 113 CO -0.03 -0.23 0.02 -0.75 0.23 0.00 0.00 176.35 175.60 3n9u s LYS 114 N 1.43 2.10 0.31 1.70 2.47 -0.00 -4.98 119.74 122.76 3n9u s LYS 114 Ca 0.00 -1.52 -0.28 0.00 -1.56 0.00 0.00 55.97 52.61 3n9u s LYS 114 Cb -0.18 -3.19 -0.10 0.00 -1.46 0.00 0.00 37.83 32.90 3n9u s LYS 114 CO 0.01 -0.76 1.14 -0.06 0.16 0.00 0.00 175.35 175.84 3n9u s PHE 115 N 1.12 3.40 0.16 4.03 0.08 -1.26 -0.12 117.98 125.40 3n9u s PHE 115 Ca -0.00 1.63 -0.31 0.00 0.12 0.00 0.00 56.93 58.37 3n9u s PHE 115 Cb -0.20 -3.35 -0.08 0.00 -0.57 0.00 0.00 43.02 38.81 3n9u s PHE 115 CO -0.04 -0.87 1.35 0.00 -0.10 0.00 0.00 175.22 175.56 3n9u s ALA 116 N -1.23 3.56 0.02 5.36 0.00 0.11 -4.92 121.76 124.67 3n9u s ALA 116 Ca 0.48 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3n9u s ALA 116 Cb -0.32 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 3n9u s ALA 116 CO 0.42 -0.58 -0.03 -1.21 0.00 0.00 0.00 175.76 174.36 3n9u s GLU 117 N 0.40 0.28 -0.29 0.00 2.02 -1.26 -0.25 118.70 119.59 3n9u s GLU 117 Ca 0.60 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.81 3n9u s GLU 117 Cb -0.37 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.86 3n9u s GLU 117 CO 0.35 -0.02 1.63 1.21 0.02 0.00 0.00 175.26 178.45 3n9u s ASN 118 N -1.14 6.22 0.31 -0.19 3.84 0.39 -4.89 114.94 119.48 3n9u s ASN 118 Ca -0.11 1.36 0.00 0.00 0.21 0.00 0.00 52.86 54.32 3n9u s ASN 118 Cb -0.08 -2.53 0.52 0.00 -0.55 0.00 0.00 41.25 38.61 3n9u s ASN 118 CO -0.01 -1.44 1.94 -0.09 -2.79 0.00 0.00 177.10 174.72 3n9u h ARG 119 N 11.41 1.00 -0.95 0.43 2.43 -1.94 0.47 114.38 127.22 3n9u h ARG 119 Ca -0.32 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.85 3n9u h ARG 119 Cb 1.15 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.41 3n9u h ARG 119 CO 1.03 0.66 0.62 0.00 -1.51 0.00 0.00 179.97 180.77 3n9u h ALA 120 N 1.51 1.45 0.00 2.80 0.00 -1.98 -3.34 119.26 119.70 3n9u h ALA 120 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3n9u h ALA 120 Cb 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3n9u h ALA 120 CO -0.11 0.41 0.00 0.27 0.00 0.00 0.00 179.25 179.82 3n9u n ASN 121 N -4.49 0.40 0.00 0.00 0.23 -1.15 -5.04 115.26 105.21 3n9u n ASN 121 Ca 0.14 -1.03 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 3n9u n ASN 121 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3n9u n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3n9u n GLY 122 N -0.01 1.01 3.75 4.83 0.00 0.16 -5.00 105.19 109.93 3n9u n GLY 122 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3n9u n GLY 122 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3n9u s GLN 123 N -0.02 4.33 0.29 1.61 0.74 -1.24 -4.68 119.66 120.68 3n9u s GLN 123 Ca 0.00 2.22 -0.29 0.00 0.05 0.00 0.00 55.36 57.34 3n9u s GLN 123 Cb 0.00 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.90 3n9u s GLN 123 CO 0.00 -0.29 1.26 0.45 -0.55 0.00 0.00 175.29 176.16 3n9u s SER 124 N 0.01 6.92 0.00 6.67 0.15 -1.26 -0.46 113.70 125.73 3n9u s SER 124 Ca 0.54 2.53 0.22 0.00 0.70 0.00 0.00 55.95 59.94 3n9u s SER 124 Cb -0.40 -2.64 0.61 0.00 -1.71 0.00 0.00 66.02 61.89 3n9u s SER 124 CO 0.46 -0.44 1.48 0.29 1.20 0.00 0.00 173.24 176.24 3n9u n LYS 125 N 1.31 2.02 -0.49 5.44 5.02 0.65 -4.59 118.16 127.52 3n9u n LYS 125 Ca 0.01 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3n9u n LYS 125 Cb 0.43 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3n9u n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n9u n GLY 126 N 1.27 0.71 3.26 0.72 0.00 -1.26 -4.75 105.19 105.13 3n9u n GLY 126 Ca 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3n9u n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3n9u s TYR 127 N -2.00 0.38 0.02 1.61 -0.85 -1.26 -0.52 117.35 114.73 3n9u s TYR 127 Ca 0.00 -0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 55.71 3n9u s TYR 127 Cb 0.00 -0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.21 3n9u s TYR 127 CO 0.00 -0.62 0.13 0.00 -1.52 0.00 0.00 175.55 173.54 3n9u s ALA 128 N -3.94 -0.23 -0.18 9.51 0.00 -0.39 -0.71 121.76 125.82 3n9u s ALA 128 Ca 0.13 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 3n9u s ALA 128 Cb 0.05 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3n9u s ALA 128 CO -0.04 -0.28 0.36 -2.00 0.00 0.00 0.00 175.76 173.80 3n9u s GLU 129 N -2.09 4.21 -0.33 0.00 2.12 0.83 -0.91 118.70 122.53 3n9u s GLU 129 Ca -0.09 0.17 -0.07 0.00 0.36 0.00 0.00 54.97 55.33 3n9u s GLU 129 Cb -0.04 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.88 3n9u s GLU 129 CO -0.02 0.06 0.11 0.08 -0.54 0.00 0.00 175.26 174.96 3n9u s VAL 130 N 0.99 3.96 -0.21 3.70 1.01 -0.03 -0.82 120.40 129.01 3n9u s VAL 130 Ca 0.18 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 3n9u s VAL 130 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3n9u s VAL 130 CO 0.07 -0.10 0.12 -0.69 0.00 0.00 0.00 175.10 174.49 3n9u s VAL 131 N 1.46 5.19 0.28 2.92 1.01 0.04 -1.52 120.40 129.78 3n9u s VAL 131 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.20 3n9u s VAL 131 Cb -0.19 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3n9u s VAL 131 CO 0.03 0.42 -0.17 0.68 0.00 0.00 0.00 175.10 176.07 3n9u s VAL 132 N 0.56 2.29 -0.58 2.92 -7.23 -0.39 -0.26 120.40 117.71 3n9u s VAL 132 Ca 0.06 -2.33 0.25 0.00 -1.81 0.00 0.00 61.98 58.15 3n9u s VAL 132 Cb -0.12 -2.33 0.31 0.00 0.56 0.00 0.00 36.38 34.80 3n9u s VAL 132 CO 0.00 -0.39 1.68 0.00 -0.31 0.00 0.00 175.10 176.08 3n9u h ALA 133 N 2.27 0.99 -3.06 1.32 0.00 -1.41 -3.26 119.26 116.11 3n9u h ALA 133 Ca -0.40 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 3n9u h ALA 133 Cb 1.25 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.83 3n9u h ALA 133 CO 0.62 0.00 -0.72 -1.54 0.00 0.00 0.00 179.25 177.61 3n9u s SER 134 N -5.35 0.74 0.34 0.00 1.04 -1.26 -4.84 113.70 104.36 3n9u s SER 134 Ca 0.09 -0.57 0.10 0.00 0.48 0.00 0.00 55.95 56.05 3n9u s SER 134 Cb 0.09 0.06 0.61 0.00 0.10 0.00 0.00 66.02 66.88 3n9u s SER 134 CO 0.64 -0.25 1.78 -0.33 0.98 0.00 0.00 173.24 176.06 3n9u h GLU 135 N 4.42 0.09 -0.59 4.02 4.39 -1.96 -2.59 114.58 122.35 3n9u h GLU 135 Ca -0.35 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.41 3n9u h GLU 135 Cb 1.20 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 3n9u h GLU 135 CO 0.43 0.47 0.19 -0.97 -1.16 0.00 0.00 179.01 177.96 3n9u h ASN 136 N 0.08 0.14 -0.12 1.42 -0.73 -1.99 0.37 115.58 114.75 3n9u h ASN 136 Ca 0.01 0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.17 3n9u h ASN 136 Cb 0.72 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 3n9u h ASN 136 CO 0.05 0.09 -0.20 0.28 -0.37 0.00 0.00 177.43 177.28 3n9u h SER 137 N 0.35 0.53 -0.63 1.15 0.02 -1.91 -1.61 113.55 111.44 3n9u h SER 137 Ca 0.30 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3n9u h SER 137 Cb 0.39 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3n9u h SER 137 CO -0.33 0.74 0.15 0.58 -1.14 0.00 0.00 176.83 176.84 3n9u h VAL 138 N 0.48 1.25 -0.49 2.27 2.07 -0.92 -0.57 116.25 120.34 3n9u h VAL 138 Ca 0.08 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3n9u h VAL 138 Cb 0.62 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3n9u h VAL 138 CO 0.04 0.35 0.30 0.45 0.02 0.00 0.00 177.57 178.73 3n9u h HIS 139 N 0.93 0.56 -0.36 1.57 3.86 -0.72 -1.30 115.15 119.69 3n9u h HIS 139 Ca 0.20 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3n9u h HIS 139 Cb 0.36 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3n9u h HIS 139 CO 0.03 0.33 0.16 0.87 0.86 0.00 0.00 177.93 180.17 3n9u h LYS 140 N 0.60 0.54 -0.36 2.45 1.57 -0.93 -1.82 116.57 118.62 3n9u h LYS 140 Ca 0.19 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3n9u h LYS 140 Cb 0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3n9u h LYS 140 CO -0.08 0.50 0.06 -0.07 -0.57 0.00 0.00 179.45 179.29 3n9u h LEU 141 N 0.44 -0.02 -1.20 2.94 3.38 -1.00 0.21 115.31 120.06 3n9u h LEU 141 Ca 0.12 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3n9u h LEU 141 Cb 0.16 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3n9u h LEU 141 CO -0.01 0.03 -0.22 -0.07 0.09 0.00 0.00 178.44 178.25 3n9u h LEU 142 N 0.17 0.27 0.12 1.67 3.38 -1.02 -2.33 115.31 117.58 3n9u h LEU 142 Ca 0.17 -0.08 -0.36 0.00 0.09 0.00 0.00 57.88 57.71 3n9u h LEU 142 Cb 0.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3n9u h LEU 142 CO -0.24 0.51 -1.94 1.21 0.09 0.00 0.00 178.44 178.07 3n9u n GLU 143 N -4.18 0.75 -0.06 1.13 2.13 -0.70 -4.56 120.64 115.15 3n9u n GLU 143 Ca -0.01 0.28 -0.03 0.00 0.66 0.00 0.00 57.16 58.06 3n9u n GLU 143 Cb 0.35 -1.72 -0.15 0.00 0.27 0.00 0.00 31.44 30.19 3n9u n GLU 143 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3n9u n LEU 144 N -3.55 0.15 0.11 4.31 4.77 0.71 -4.55 117.00 118.96 3n9u n LEU 144 Ca -0.32 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.50 3n9u n LEU 144 Cb 1.03 0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 42.29 3n9u n LEU 144 CO 0.42 0.33 -0.12 0.25 -1.33 0.00 0.00 177.39 176.93 3n9u h LEU 145 N 0.00 0.84 -9.66 2.23 5.85 -1.52 -3.44 115.31 109.62 3n9u h LEU 145 Ca -0.35 -0.82 -0.58 0.00 0.84 0.00 0.00 57.88 56.97 3n9u h LEU 145 Cb 1.85 -0.27 0.11 0.00 0.37 0.00 0.00 40.66 42.72 3n9u h LEU 145 CO 0.03 1.63 0.43 -2.65 -0.34 0.00 0.00 178.44 177.53 3n9u n PRO 146 N -3.75 1.92 0.00 5.25 -0.02 -1.26 -1.79 135.00 135.35 3n9u n PRO 146 Ca -0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3n9u n PRO 146 Cb 1.03 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3n9u n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n9u n GLY 147 N 1.07 3.10 3.72 -1.23 0.00 -0.65 -4.97 105.19 106.23 3n9u n GLY 147 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3n9u n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n9u s LYS 148 N -0.36 2.08 -0.15 1.61 -0.14 -0.74 -4.58 119.74 117.46 3n9u s LYS 148 Ca 0.00 1.72 -0.02 0.00 -1.36 0.00 0.00 55.97 56.31 3n9u s LYS 148 Cb 0.00 -1.83 -0.02 0.00 -1.68 0.00 0.00 37.83 34.30 3n9u s LYS 148 CO 0.00 -1.87 -0.08 0.08 -0.76 0.00 0.00 175.35 172.71 3n9u s VAL 149 N -2.07 3.48 -0.21 3.17 1.01 -1.26 -1.36 120.40 123.15 3n9u s VAL 149 Ca 0.73 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3n9u s VAL 149 Cb -0.28 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.64 3n9u s VAL 149 CO 0.46 0.51 -0.15 -0.76 0.00 0.00 0.00 175.10 175.16 3n9u s LEU 150 N 0.40 2.67 -1.29 3.92 1.43 0.10 -4.82 118.68 121.09 3n9u s LEU 150 Ca -0.07 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 3n9u s LEU 150 Cb -0.15 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3n9u s LEU 150 CO 0.04 -0.10 0.58 0.59 0.23 0.00 0.00 176.35 177.69 3n9u n ASN 151 N 4.56 -2.43 0.00 2.29 3.02 -1.26 -1.67 115.26 119.77 3n9u n ASN 151 Ca -0.17 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3n9u n ASN 151 Cb 0.46 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 3n9u n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n9u n GLY 152 N -1.87 2.20 3.61 7.41 0.00 -1.26 -4.90 105.19 110.38 3n9u n GLY 152 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3n9u n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n9u s GLU 153 N -0.03 2.77 -0.02 1.61 2.02 -0.67 -5.08 118.70 119.31 3n9u s GLU 153 Ca 0.00 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.20 3n9u s GLU 153 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 3n9u s GLU 153 CO 0.00 0.66 0.77 0.15 0.02 0.00 0.00 175.26 176.87 3n9u s LYS 154 N -0.94 4.48 0.21 1.61 1.02 -1.26 -0.72 119.74 124.14 3n9u s LYS 154 Ca 0.14 1.04 -0.07 0.00 0.02 0.00 0.00 55.97 57.10 3n9u s LYS 154 Cb -0.11 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 3n9u s LYS 154 CO 0.03 0.11 0.48 0.14 -0.92 0.00 0.00 175.35 175.20 3n9u s VAL 155 N 0.56 5.04 0.06 3.17 -7.23 -0.47 -4.62 120.40 116.93 3n9u s VAL 155 Ca 0.41 0.20 0.02 0.00 -1.81 0.00 0.00 61.98 60.80 3n9u s VAL 155 Cb -0.19 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 3n9u s VAL 155 CO 0.22 -0.09 0.10 -1.81 -0.31 0.00 0.00 175.10 173.21 3n9u s ASP 156 N -2.58 5.68 -0.02 4.85 1.01 0.13 -1.64 116.67 124.10 3n9u s ASP 156 Ca 0.44 0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.76 3n9u s ASP 156 Cb -0.11 -1.58 0.02 0.00 1.01 0.00 0.00 42.92 42.25 3n9u s ASP 156 CO 0.24 0.19 -0.01 -0.69 0.21 0.00 0.00 175.17 175.11 3n9u s VAL 157 N -1.38 0.20 0.04 -1.27 1.01 -1.26 -1.85 120.40 115.88 3n9u s VAL 157 Ca 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 3n9u s VAL 157 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3n9u s VAL 157 CO 0.22 0.12 -0.00 -0.13 0.00 0.00 0.00 175.10 175.31 3n9u s ARG 158 N 0.67 0.49 0.36 2.72 0.52 -0.53 -4.93 118.95 118.25 3n9u s ARG 158 Ca -0.07 -0.88 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 3n9u s ARG 158 Cb -0.10 0.18 -0.12 0.00 0.52 0.00 0.00 34.95 35.43 3n9u s ARG 158 CO -0.01 -0.10 1.17 -2.30 0.02 0.00 0.00 175.30 174.08 3n9u n PRO 159 N 0.83 1.76 -2.11 3.54 -0.02 -1.26 -0.23 135.00 137.52 3n9u n PRO 159 Ca -0.19 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 3n9u n PRO 159 Cb 0.58 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3n9u n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n9u n ALA 160 N 0.03 4.15 -2.57 3.55 0.00 -1.01 -4.57 120.51 120.09 3n9u n ALA 160 Ca 0.07 -3.75 -0.22 0.00 0.00 0.00 0.00 53.44 49.54 3n9u n ALA 160 Cb 0.37 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.19 3n9u n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3n9u s THR 161 N 4.47 3.45 0.30 0.00 -4.23 -1.26 -4.95 115.64 113.42 3n9u s THR 161 Ca 0.53 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3n9u s THR 161 Cb 0.08 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 71.10 3n9u s THR 161 CO 0.02 -0.22 1.92 0.03 -0.54 0.00 0.00 174.62 175.83 3n9u h ARG 162 N 1.47 1.03 -0.28 3.99 3.08 -1.99 -0.01 114.38 121.67 3n9u h ARG 162 Ca -0.45 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 3n9u h ARG 162 Cb 1.25 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3n9u h ARG 162 CO 0.61 0.68 0.08 0.37 -1.07 0.00 0.00 179.97 180.64 3n9u h GLN 163 N 1.06 0.44 -0.22 0.04 4.15 -1.95 -1.11 115.11 117.51 3n9u h GLN 163 Ca 0.38 -0.10 -0.10 0.00 0.77 0.00 0.00 58.65 59.60 3n9u h GLN 163 Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3n9u h GLN 163 CO -0.13 0.51 -0.30 -0.91 -1.93 0.00 0.00 178.83 176.07 3n9u h ASN 164 N 0.28 0.46 -0.39 -0.69 2.35 -1.69 -1.95 115.58 113.95 3n9u h ASN 164 Ca 0.09 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3n9u h ASN 164 Cb 0.27 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3n9u h ASN 164 CO -0.00 0.74 0.20 0.25 -1.65 0.00 0.00 177.43 176.97 3n9u h LEU 165 N 0.39 0.49 -0.70 1.61 5.85 -0.83 -0.93 115.31 121.19 3n9u h LEU 165 Ca 0.05 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3n9u h LEU 165 Cb 0.73 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3n9u h LEU 165 CO 0.06 0.46 0.37 0.28 -0.34 0.00 0.00 178.44 179.26 3n9u h SER 166 N 0.49 0.52 -0.37 1.25 0.02 -0.99 -0.83 113.55 113.64 3n9u h SER 166 Ca 0.13 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 3n9u h SER 166 Cb 0.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3n9u h SER 166 CO -0.02 0.32 -0.17 1.56 -1.14 0.00 0.00 176.83 177.38 3n9u h GLN 167 N 0.66 0.77 -0.58 3.45 4.20 -1.05 -1.45 115.11 121.10 3n9u h GLN 167 Ca 0.33 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3n9u h GLN 167 Cb 0.27 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3n9u h GLN 167 CO -0.22 0.95 0.23 0.74 -0.67 0.00 0.00 178.83 179.85 3n9u h PHE 168 N 0.56 0.88 -0.60 2.96 0.04 -0.98 -2.30 116.94 117.50 3n9u h PHE 168 Ca 0.08 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3n9u h PHE 168 Cb 0.71 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3n9u h PHE 168 CO 0.06 0.71 0.07 1.49 -0.60 0.00 0.00 178.31 180.04 3n9u h GLU 169 N 0.80 0.98 -0.71 1.51 4.57 -1.13 -0.95 114.58 119.65 3n9u h GLU 169 Ca 0.19 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3n9u h GLU 169 Cb 0.21 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3n9u h GLU 169 CO -0.02 0.92 0.18 0.00 -1.18 0.00 0.00 179.01 178.91 3n9u h ALA 170 N 1.15 0.93 -0.47 2.92 0.00 -1.20 0.99 119.26 123.58 3n9u h ALA 170 Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3n9u h ALA 170 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3n9u h ALA 170 CO 0.01 0.65 0.12 0.37 0.00 0.00 0.00 179.25 180.41 3n9u h GLN 171 N 1.07 0.75 -0.37 0.00 -0.00 -1.21 -1.11 115.11 114.24 3n9u h GLN 171 Ca 0.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 3n9u h GLN 171 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 3n9u h GLN 171 CO 0.00 0.73 0.19 0.00 0.00 0.00 0.00 178.83 179.75 3n9u h ALA 172 N 0.99 0.48 -0.50 3.38 0.00 -0.74 -1.23 119.26 121.64 3n9u h ALA 172 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3n9u h ALA 172 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3n9u h ALA 172 CO -0.00 0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.56 3n9u h ARG 173 N 0.47 0.67 0.00 0.00 3.08 -0.69 -1.39 114.38 116.51 3n9u h ARG 173 Ca 0.13 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3n9u h ARG 173 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3n9u h ARG 173 CO -0.02 0.47 -0.42 -0.22 -1.07 0.00 0.00 179.97 178.71 3n9u h LYS 174 N 0.68 0.00 0.10 0.04 3.64 -0.87 -3.10 116.57 117.06 3n9u h LYS 174 Ca 0.18 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.29 3n9u h LYS 174 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3n9u h LYS 174 CO -0.03 0.42 -1.17 0.00 -2.27 0.00 0.00 179.45 176.40 3n9u h ARG 175 N 0.00 0.43 -0.95 1.90 3.08 -0.63 -3.34 114.38 114.87 3n9u h ARG 175 Ca -0.00 -0.59 0.18 0.00 0.07 0.00 0.00 59.98 59.63 3n9u h ARG 175 Cb 1.00 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 3n9u h ARG 175 CO 0.05 1.24 0.61 0.93 -1.07 0.00 0.00 179.97 181.74 3n9u h GLU 176 N 0.18 0.64 0.00 0.04 5.08 -1.19 -3.51 114.58 115.82 3n9u h GLU 176 Ca -0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3n9u h GLU 176 Cb 1.85 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.95 3n9u h GLU 176 CO 0.21 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.64