#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bv4 s TYR 116 N 0.00 3.55 0.05 5.58 1.13 -0.06 -4.86 117.35 122.73 1bv4 s TYR 116 Ca 0.00 0.56 0.05 0.00 -1.41 0.00 0.00 57.07 56.27 1bv4 s TYR 116 Cb 0.00 -1.99 -0.04 0.00 -1.10 0.00 0.00 41.96 38.83 1bv4 s TYR 116 CO 0.00 0.55 -0.07 -0.06 -2.51 0.00 0.00 175.55 173.46 1bv4 s PHE 117 N -1.42 2.84 -0.05 -3.49 0.08 -1.26 -0.71 117.98 113.98 1bv4 s PHE 117 Ca 0.32 -0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.25 1bv4 s PHE 117 Cb -0.13 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1bv4 s PHE 117 CO 0.20 0.40 0.12 -1.64 -0.10 0.00 0.00 175.22 174.19 1bv4 s MET 118 N -1.77 0.12 0.07 0.44 -1.94 -0.17 -4.97 119.30 111.08 1bv4 s MET 118 Ca 0.19 0.21 0.03 0.00 -1.71 0.00 0.00 55.69 54.41 1bv4 s MET 118 Cb -0.11 0.00 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 1bv4 s MET 118 CO 0.11 -0.05 0.07 -1.54 -0.01 0.00 0.00 175.02 173.59 1bv4 s SER 119 N 0.33 5.46 0.75 3.03 1.04 -1.26 0.65 113.70 123.70 1bv4 s SER 119 Ca -0.02 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 1bv4 s SER 119 Cb -0.03 -1.45 0.04 0.00 0.10 0.00 0.00 66.02 64.68 1bv4 s SER 119 CO -0.01 0.18 1.08 -0.94 0.98 0.00 0.00 173.24 174.53 1bv4 s SER 120 N -2.33 4.93 0.03 7.02 1.04 0.14 -4.97 113.70 119.56 1bv4 s SER 120 Ca 0.28 1.42 0.08 0.00 0.48 0.00 0.00 55.95 58.22 1bv4 s SER 120 Cb -0.12 -2.22 -0.23 0.00 0.10 0.00 0.00 66.02 63.55 1bv4 s SER 120 CO 0.21 -1.70 0.93 -0.37 0.98 0.00 0.00 173.24 173.29 1bv4 h VAL 121 N -0.90 1.23 -1.83 5.02 -1.51 -1.99 -3.44 116.25 112.83 1bv4 h VAL 121 Ca -0.46 -3.00 -0.61 0.00 -1.23 0.00 0.00 66.70 61.40 1bv4 h VAL 121 Cb 1.24 2.63 -0.13 0.00 -2.13 0.00 0.00 31.29 32.90 1bv4 h VAL 121 CO 0.59 0.73 -0.62 -0.13 -1.23 0.00 0.00 177.57 176.90 1bv4 s ARG 122 N -2.65 1.90 0.34 5.19 0.52 -1.26 -5.10 118.95 117.89 1bv4 s ARG 122 Ca -0.03 -2.05 -0.03 0.00 -0.52 0.00 0.00 55.73 53.09 1bv4 s ARG 122 Cb 0.09 -1.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 1bv4 s ARG 122 CO 0.83 -0.02 0.59 1.03 0.02 0.00 0.00 175.30 177.75 1bv4 s ARG 123 N -3.71 3.57 0.05 3.54 0.52 -1.26 -4.35 118.95 117.32 1bv4 s ARG 123 Ca 0.35 -0.07 -0.28 0.00 -0.52 0.00 0.00 55.73 55.21 1bv4 s ARG 123 Cb 0.08 -2.60 0.09 0.00 0.52 0.00 0.00 34.95 33.04 1bv4 s ARG 123 CO 0.17 0.12 1.01 0.00 0.02 0.00 0.00 175.30 176.62 1bv4 s MET 124 N -4.01 0.89 0.90 3.54 0.23 0.19 -4.77 119.30 116.27 1bv4 s MET 124 Ca 0.43 -0.44 -0.12 0.00 -1.03 0.00 0.00 55.69 54.54 1bv4 s MET 124 Cb -0.10 0.34 0.13 0.00 -1.53 0.00 0.00 34.83 33.66 1bv4 s MET 124 CO 0.34 -0.40 1.09 -2.14 -2.03 0.00 0.00 175.02 171.89 1bv4 s PRO 125 N -3.03 1.25 0.34 3.16 0.02 -1.25 -2.17 135.00 133.32 1bv4 s PRO 125 Ca 0.10 0.74 0.02 0.00 0.02 0.00 0.00 61.00 61.88 1bv4 s PRO 125 Cb -0.00 -1.81 0.59 0.00 0.02 0.00 0.00 34.50 33.29 1bv4 s PRO 125 CO -0.03 -2.22 1.93 1.25 -0.33 0.00 0.00 177.00 177.61 1bv4 h LEU 126 N -1.53 0.65 0.08 -5.54 5.85 -1.68 -2.53 115.31 110.61 1bv4 h LEU 126 Ca -0.50 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1bv4 h LEU 126 Cb 1.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1bv4 h LEU 126 CO 0.56 0.58 -0.26 0.78 -0.34 0.00 0.00 178.44 179.75 1bv4 h ASN 127 N 0.72 -0.75 -0.29 1.25 -0.26 -1.93 0.49 115.58 114.82 1bv4 h ASN 127 Ca 0.18 0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.98 1bv4 h ASN 127 Cb 0.11 0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1bv4 h ASN 127 CO -0.02 -0.34 0.10 -0.09 -1.06 0.00 0.00 177.43 176.02 1bv4 h ARG 128 N -0.45 0.51 -0.22 0.81 2.43 -1.92 -1.56 114.38 113.98 1bv4 h ARG 128 Ca 0.04 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1bv4 h ARG 128 Cb 0.49 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1bv4 h ARG 128 CO -0.17 0.46 -0.03 0.00 -1.51 0.00 0.00 179.97 178.71 1bv4 h ALA 129 N 1.61 0.31 -0.60 2.80 0.00 -0.87 0.03 119.26 122.53 1bv4 h ALA 129 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1bv4 h ALA 129 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1bv4 h ALA 129 CO -0.01 0.07 0.13 1.57 0.00 0.00 0.00 179.25 181.01 1bv4 h LYS 130 N 0.16 0.94 -0.27 0.00 2.10 0.31 -1.86 116.57 117.96 1bv4 h LYS 130 Ca 0.06 -0.21 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 1bv4 h LYS 130 Cb 0.47 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1bv4 h LYS 130 CO 0.02 0.85 0.11 0.00 -2.00 0.00 0.00 179.45 178.42 1bv4 h ALA 131 N 1.24 0.36 0.25 0.07 0.00 -1.13 -1.48 119.26 118.57 1bv4 h ALA 131 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bv4 h ALA 131 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1bv4 h ALA 131 CO 0.00 -0.04 -0.27 1.25 0.00 0.00 0.00 179.25 180.19 1bv4 h LEU 132 N 0.29 -0.74 -0.82 0.00 5.85 -0.63 0.35 115.31 119.60 1bv4 h LEU 132 Ca 0.09 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1bv4 h LEU 132 Cb 0.19 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1bv4 h LEU 132 CO -0.01 -0.39 0.06 0.00 -0.34 0.00 0.00 178.44 177.76 1bv4 h SER 134 N 0.89 0.19 0.11 0.00 4.64 -1.13 0.59 113.55 118.85 1bv4 h SER 134 Ca 0.17 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1bv4 h SER 134 Cb 0.44 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1bv4 h SER 134 CO 0.02 0.73 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.55 1bv4 h GLU 135 N 0.13 0.00 -0.59 4.77 4.57 -0.74 -0.60 114.58 122.12 1bv4 h GLU 135 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bv4 h GLU 135 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1bv4 h GLU 135 CO 0.09 0.08 0.00 1.28 -1.18 0.00 0.00 179.01 179.28 1bv4 n LEU 136 N -4.21 5.44 -2.03 1.64 4.77 -1.08 -4.95 117.00 116.58 1bv4 n LEU 136 Ca -0.03 -2.79 -0.15 0.00 -0.03 0.00 0.00 56.01 53.01 1bv4 n LEU 136 Cb 0.16 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1bv4 n LEU 136 CO 0.33 0.69 -0.04 0.00 -1.33 0.00 0.00 177.39 177.04 1bv4 n GLN 137 N 0.75 -2.87 0.00 3.23 6.02 -0.23 -5.01 117.38 119.27 1bv4 n GLN 137 Ca 0.27 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 1bv4 n GLN 137 Cb 1.11 -4.93 0.00 0.00 1.02 0.00 0.00 30.24 27.44 1bv4 n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bv4 n GLY 138 N -1.22 6.34 3.55 1.08 0.00 0.18 -4.80 105.19 110.31 1bv4 n GLY 138 Ca -0.10 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1bv4 n GLY 138 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bv4 s THR 139 N 0.47 0.02 0.16 2.61 -1.32 -0.92 -3.38 115.64 113.28 1bv4 s THR 139 Ca 0.00 -1.07 -0.32 0.00 -1.21 0.00 0.00 61.69 59.09 1bv4 s THR 139 Cb 0.00 -1.84 -0.10 0.00 -1.51 0.00 0.00 72.50 69.05 1bv4 s THR 139 CO 0.00 -0.10 1.56 -0.69 -2.21 0.00 0.00 174.62 173.18 1bv4 s VAL 140 N -3.93 2.68 -0.19 5.08 1.01 -1.26 -0.59 120.40 123.20 1bv4 s VAL 140 Ca 0.14 0.48 -0.40 0.00 0.00 0.00 0.00 61.98 62.20 1bv4 s VAL 140 Cb -0.01 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.89 1bv4 s VAL 140 CO 0.02 0.04 1.55 0.00 0.00 0.00 0.00 175.10 176.71 1bv4 n ALA 141 N 4.01 -0.92 -4.04 5.51 0.00 0.76 -3.56 120.51 122.27 1bv4 n ALA 141 Ca 0.14 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 1bv4 n ALA 141 Cb 0.39 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 1bv4 n ALA 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bv4 s THR 142 N 2.31 1.99 0.10 0.00 2.01 -1.26 -1.21 115.64 119.59 1bv4 s THR 142 Ca 0.95 -1.46 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 1bv4 s THR 142 Cb -1.13 -2.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 1bv4 s THR 142 CO 0.63 0.00 1.62 -2.84 -0.69 0.00 0.00 174.62 173.34 1bv4 s PRO 143 N 1.20 4.20 -0.03 4.92 0.02 -1.26 -4.91 135.00 139.15 1bv4 s PRO 143 Ca -0.07 2.34 0.19 0.00 0.02 0.00 0.00 61.00 63.48 1bv4 s PRO 143 Cb -0.19 -3.44 -0.29 0.00 0.02 0.00 0.00 34.50 30.60 1bv4 s PRO 143 CO -0.06 -0.69 0.41 0.54 -0.33 0.00 0.00 177.00 176.87 1bv4 n ARG 144 N 5.03 0.57 -3.87 5.54 5.12 -1.26 -4.94 116.66 122.84 1bv4 n ARG 144 Ca 0.15 -0.17 -0.08 0.00 -1.93 0.00 0.00 57.85 55.82 1bv4 n ARG 144 Cb 0.40 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.24 1bv4 n ARG 144 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bv4 s ASN 145 N -4.17 -0.16 0.43 0.55 2.20 -1.26 -5.03 114.94 107.50 1bv4 s ASN 145 Ca -0.07 -0.77 0.13 0.00 -0.94 0.00 0.00 52.86 51.21 1bv4 s ASN 145 Cb 0.12 0.74 1.01 0.00 -2.00 0.00 0.00 41.25 41.12 1bv4 s ASN 145 CO 0.78 -1.39 1.98 0.00 -2.94 0.00 0.00 177.10 175.53 1bv4 h ALA 146 N 2.03 1.99 0.04 3.54 0.00 -1.99 -0.95 119.26 123.93 1bv4 h ALA 146 Ca -0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bv4 h ALA 146 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1bv4 h ALA 146 CO 0.28 -0.12 -0.02 0.93 0.00 0.00 0.00 179.25 180.32 1bv4 h GLU 147 N 0.43 -0.05 -0.46 0.00 5.08 -1.99 -1.64 114.58 115.96 1bv4 h GLU 147 Ca 0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1bv4 h GLU 147 Cb 0.51 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1bv4 h GLU 147 CO -0.08 0.21 0.08 0.93 -1.00 0.00 0.00 179.01 179.16 1bv4 h GLU 148 N -0.31 0.75 -0.86 2.33 5.08 -1.85 0.07 114.58 119.79 1bv4 h GLU 148 Ca -0.01 -0.20 0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1bv4 h GLU 148 Cb 0.29 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1bv4 h GLU 148 CO 0.01 0.77 0.48 -0.97 -1.00 0.00 0.00 179.01 178.30 1bv4 h ASN 149 N 0.62 0.66 -0.37 1.42 -1.24 -1.17 0.45 115.58 115.94 1bv4 h ASN 149 Ca 0.14 0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.14 1bv4 h ASN 149 Cb 0.37 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1bv4 h ASN 149 CO 0.01 0.34 -0.05 -0.09 -1.29 0.00 0.00 177.43 176.35 1bv4 h ARG 150 N 0.76 0.68 -0.63 6.67 2.43 -0.90 -1.41 114.38 121.98 1bv4 h ARG 150 Ca 0.44 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1bv4 h ARG 150 Cb 0.49 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1bv4 h ARG 150 CO -0.29 0.82 0.10 0.00 -1.51 0.00 0.00 179.97 179.09 1bv4 h ALA 151 N 0.84 0.83 -0.64 2.80 0.00 0.57 -1.41 119.26 122.26 1bv4 h ALA 151 Ca 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1bv4 h ALA 151 Cb 0.54 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1bv4 h ALA 151 CO 0.03 0.59 0.22 0.82 0.00 0.00 0.00 179.25 180.91 1bv4 h ILE 152 N 0.95 1.24 -0.35 0.00 2.04 -0.04 -2.11 117.51 119.25 1bv4 h ILE 152 Ca 0.19 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1bv4 h ILE 152 Cb 0.43 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1bv4 h ILE 152 CO 0.01 0.31 -0.09 -0.61 0.00 0.00 0.00 178.15 177.77 1bv4 h GLN 153 N 0.90 0.58 -0.36 2.37 -0.00 -1.02 -1.05 115.11 116.54 1bv4 h GLN 153 Ca 0.21 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1bv4 h GLN 153 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 1bv4 h GLN 153 CO -0.01 0.67 0.11 -0.97 0.00 0.00 0.00 178.83 178.63 1bv4 h ASN 154 N 0.54 0.48 0.16 -0.69 -1.24 -0.63 -2.64 115.58 111.56 1bv4 h ASN 154 Ca 0.10 -0.06 -0.29 0.00 0.71 0.00 0.00 56.30 56.77 1bv4 h ASN 154 Cb 0.48 -0.12 0.03 0.00 0.73 0.00 0.00 38.32 39.44 1bv4 h ASN 154 CO 0.03 0.47 -1.23 0.58 -1.29 0.00 0.00 177.43 175.99 1bv4 h VAL 155 N 0.52 1.32 -3.35 2.57 2.07 -0.90 -3.42 116.25 115.06 1bv4 h VAL 155 Ca 0.12 -2.52 -0.55 0.00 0.82 0.00 0.00 66.70 64.57 1bv4 h VAL 155 Cb 0.17 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1bv4 h VAL 155 CO -0.01 0.75 0.39 0.00 0.02 0.00 0.00 177.57 178.73 1bv4 s ALA 156 N -2.81 3.29 -0.37 1.67 0.00 -0.44 -4.71 121.76 118.39 1bv4 s ALA 156 Ca -0.10 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1bv4 s ALA 156 Cb 0.04 -3.31 0.61 0.00 0.00 0.00 0.00 23.12 20.47 1bv4 s ALA 156 CO 0.92 -0.36 1.72 1.63 0.00 0.00 0.00 175.76 179.66 1bv4 n LYS 157 N 4.34 2.26 -3.75 0.00 5.02 -1.26 -4.72 118.16 120.05 1bv4 n LYS 157 Ca 0.06 -3.08 0.02 0.00 -2.02 0.00 0.00 58.31 53.28 1bv4 n LYS 157 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1bv4 n LYS 157 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1bv4 s ASP 158 N -1.77 -0.03 0.20 4.39 2.15 -1.26 -5.10 116.67 115.25 1bv4 s ASP 158 Ca 0.52 -0.17 -0.32 0.00 0.43 0.00 0.00 52.55 53.01 1bv4 s ASP 158 Cb 0.44 0.16 -0.15 0.00 -0.30 0.00 0.00 42.92 43.07 1bv4 s ASP 158 CO 0.07 -0.30 1.14 0.52 -0.17 0.00 0.00 175.17 176.42 1bv4 n VAL 159 N -0.64 1.13 -3.84 1.11 0.31 -1.26 -4.87 118.33 110.27 1bv4 n VAL 159 Ca -0.04 -0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 1bv4 n VAL 159 Cb 0.61 -0.90 -0.09 0.00 -0.91 0.00 0.00 33.84 32.56 1bv4 n VAL 159 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bv4 s ALA 160 N -0.36 -0.40 0.62 3.52 0.00 -1.04 -2.80 121.76 121.30 1bv4 s ALA 160 Ca 0.70 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 1bv4 s ALA 160 Cb -0.81 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1bv4 s ALA 160 CO 0.54 -0.31 1.14 -0.06 0.00 0.00 0.00 175.76 177.06 1bv4 s PHE 161 N -2.12 2.56 0.31 0.00 0.08 -0.18 -0.53 117.98 118.09 1bv4 s PHE 161 Ca -0.09 1.55 0.10 0.00 0.12 0.00 0.00 56.93 58.61 1bv4 s PHE 161 Cb -0.03 -3.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.09 1bv4 s PHE 161 CO -0.02 -1.79 -0.07 -0.51 -0.10 0.00 0.00 175.22 172.74 1bv4 s LEU 162 N -4.41 2.89 -0.93 -0.37 1.43 0.28 -4.35 118.68 113.21 1bv4 s LEU 162 Ca 0.71 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1bv4 s LEU 162 Cb -0.24 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1bv4 s LEU 162 CO 0.36 -0.10 2.84 0.61 0.23 0.00 0.00 176.35 180.29 1bv4 n GLY 163 N -0.82 4.38 3.16 -3.19 0.00 -0.35 -4.60 105.19 103.77 1bv4 n GLY 163 Ca -0.05 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 1bv4 n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bv4 s ILE 164 N -0.28 0.99 0.00 -0.61 1.01 -1.26 -2.34 121.20 118.71 1bv4 s ILE 164 Ca 0.61 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1bv4 s ILE 164 Cb 0.26 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1bv4 s ILE 164 CO -0.10 -0.37 0.00 -0.62 0.00 0.00 0.00 174.94 173.85 1bv4 n GLU 174 N 1.01 0.00 -1.39 2.79 1.02 -1.26 -3.64 120.64 119.16 1bv4 n GLU 174 Ca -0.19 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.66 1bv4 n GLU 174 Cb 0.56 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.11 1bv4 n GLU 174 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1bv4 s ASP 175 N 0.00 3.54 0.00 1.62 1.47 -1.26 -4.84 116.67 117.20 1bv4 s ASP 175 Ca 0.00 1.20 0.00 0.00 1.18 0.00 0.00 52.55 54.93 1bv4 s ASP 175 Cb 0.00 -1.85 0.00 0.00 -0.34 0.00 0.00 42.92 40.73 1bv4 s ASP 175 CO 0.00 -2.56 0.60 0.18 0.68 0.00 0.00 175.17 174.07 1bv4 n LEU 176 N -3.80 0.00 -1.49 2.11 4.77 -0.99 -1.61 117.00 116.00 1bv4 n LEU 176 Ca 0.06 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 1bv4 n LEU 176 Cb 0.57 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1bv4 n LEU 176 CO 0.57 -0.18 0.09 0.35 -1.33 0.00 0.00 177.39 176.90 1bv4 n THR 177 N -1.10 0.40 -1.59 -5.08 -2.24 -1.26 -5.16 114.28 98.25 1bv4 n THR 177 Ca 0.00 -1.46 -0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1bv4 n THR 177 Cb 0.14 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1bv4 n THR 177 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bv4 n GLY 178 N 0.20 -0.24 2.59 3.38 0.00 -0.63 -5.20 105.19 105.29 1bv4 n GLY 178 Ca 0.08 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1bv4 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bv4 s VAL 201 N -2.26 0.81 0.08 0.00 1.01 -1.24 -1.81 120.40 116.99 1bv4 s VAL 201 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1bv4 s VAL 201 Cb -0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1bv4 s VAL 201 CO 0.01 0.24 -0.19 0.68 0.00 0.00 0.00 175.10 175.84 1bv4 s VAL 202 N -0.02 1.58 -0.25 2.92 -7.23 -0.92 -0.56 120.40 115.91 1bv4 s VAL 202 Ca 0.00 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 58.70 1bv4 s VAL 202 Cb -0.06 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 1bv4 s VAL 202 CO 0.00 0.00 0.16 -0.22 -0.31 0.00 0.00 175.10 174.74 1bv4 s LEU 203 N -1.61 4.04 0.69 1.32 2.96 0.31 -1.93 118.68 124.46 1bv4 s LEU 203 Ca 0.05 0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 1bv4 s LEU 203 Cb -0.09 -2.10 0.06 0.00 0.50 0.00 0.00 46.19 44.55 1bv4 s LEU 203 CO 0.03 0.02 1.00 -0.76 -1.32 0.00 0.00 176.35 175.32 1bv4 s LEU 204 N 1.33 2.86 0.61 -0.68 1.43 -0.36 -2.49 118.68 121.38 1bv4 s LEU 204 Ca 0.07 0.46 0.39 0.00 -1.03 0.00 0.00 54.13 54.02 1bv4 s LEU 204 Cb -0.15 -3.14 1.93 0.00 0.03 0.00 0.00 46.19 44.87 1bv4 s LEU 204 CO 0.07 -1.54 2.20 0.71 0.23 0.00 0.00 176.35 178.02 1bv4 h THR 205 N -0.54 0.08 -0.01 5.49 1.35 -1.89 0.16 112.91 117.55 1bv4 h THR 205 Ca -0.44 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1bv4 h THR 205 Cb 1.31 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1bv4 h THR 205 CO 0.60 0.01 -0.01 -0.46 -0.25 0.00 0.00 175.52 175.41 1bv4 n ASN 206 N -3.17 0.85 0.00 5.36 0.23 -1.26 -4.91 115.26 112.37 1bv4 n ASN 206 Ca -0.02 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 1bv4 n ASN 206 Cb 0.17 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1bv4 n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bv4 n GLY 207 N 1.12 1.67 3.89 4.83 0.00 0.55 -5.04 105.19 112.20 1bv4 n GLY 207 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1bv4 n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bv4 s LYS 208 N -0.31 3.57 -0.07 1.61 -0.14 -1.26 -4.69 119.74 118.46 1bv4 s LYS 208 Ca 0.00 0.46 -0.03 0.00 -1.36 0.00 0.00 55.97 55.05 1bv4 s LYS 208 Cb 0.00 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 1bv4 s LYS 208 CO 0.00 -0.37 0.06 -1.58 -0.76 0.00 0.00 175.35 172.69 1bv4 s TRP 209 N -2.94 3.30 0.10 3.18 0.52 -1.26 -1.22 118.94 120.61 1bv4 s TRP 209 Ca 0.51 0.27 0.09 0.00 0.02 0.00 0.00 56.10 57.00 1bv4 s TRP 209 Cb -0.11 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1bv4 s TRP 209 CO 0.49 0.56 -0.24 -0.80 0.02 0.00 0.00 176.95 176.98 1bv4 s ASN 210 N -1.19 2.87 -0.39 2.95 0.02 -0.81 -4.97 114.94 113.42 1bv4 s ASN 210 Ca 0.17 -0.67 -0.19 0.00 -1.02 0.00 0.00 52.86 51.14 1bv4 s ASN 210 Cb -0.12 -0.19 0.01 0.00 0.02 0.00 0.00 41.25 40.97 1bv4 s ASN 210 CO 0.06 0.14 0.56 -0.62 0.02 0.00 0.00 177.10 177.26 1bv4 s ASP 211 N -1.78 6.32 0.26 -1.22 -1.08 -1.26 -2.16 116.67 115.74 1bv4 s ASP 211 Ca 0.10 -0.20 0.05 0.00 -0.52 0.00 0.00 52.55 51.99 1bv4 s ASP 211 Cb -0.10 -2.29 -0.06 0.00 -1.46 0.00 0.00 42.92 39.02 1bv4 s ASP 211 CO 0.04 -0.61 -0.03 0.68 0.52 0.00 0.00 175.17 175.78 1bv4 s VAL 212 N 2.54 1.38 0.37 1.11 -7.23 -0.75 -4.95 120.40 112.87 1bv4 s VAL 212 Ca 0.20 -2.08 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 1bv4 s VAL 212 Cb -0.15 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 1bv4 s VAL 212 CO 0.15 -0.30 1.32 -2.16 -0.31 0.00 0.00 175.10 173.81 1bv4 s PRO 213 N -3.79 4.18 0.00 4.82 0.04 -1.26 -0.42 135.00 138.57 1bv4 s PRO 213 Ca 0.29 2.23 0.10 0.00 0.04 0.00 0.00 61.00 63.67 1bv4 s PRO 213 Cb 0.05 -2.94 0.49 0.00 0.04 0.00 0.00 34.50 32.14 1bv4 s PRO 213 CO 0.11 -0.34 1.27 0.00 0.04 0.00 0.00 177.00 178.07 1bv4 n SER 215 N -1.38 0.70 -4.90 0.00 3.41 -1.26 -2.62 113.62 107.57 1bv4 n SER 215 Ca 0.04 -0.54 -0.29 0.00 -0.26 0.00 0.00 58.87 57.83 1bv4 n SER 215 Cb 0.10 0.93 0.04 0.00 -0.26 0.00 0.00 64.21 65.02 1bv4 n SER 215 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bv4 s ASP 216 N -3.45 5.41 -0.17 4.04 1.01 -1.10 -4.69 116.67 117.72 1bv4 s ASP 216 Ca 0.05 0.93 -0.06 0.00 0.71 0.00 0.00 52.55 54.18 1bv4 s ASP 216 Cb 0.16 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 1bv4 s ASP 216 CO 0.83 -1.29 0.04 -0.44 0.21 0.00 0.00 175.17 174.51 1bv4 s SER 217 N -4.36 5.44 0.32 0.27 0.01 -1.26 -3.92 113.70 110.19 1bv4 s SER 217 Ca 0.57 0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.89 1bv4 s SER 217 Cb -0.11 -1.92 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 1bv4 s SER 217 CO 0.49 0.18 0.34 -0.36 0.41 0.00 0.00 173.24 174.30 1bv4 s PHE 218 N 0.34 1.42 0.80 2.43 0.40 -0.92 -4.64 117.98 117.80 1bv4 s PHE 218 Ca 0.01 -1.48 -0.10 0.00 -0.60 0.00 0.00 56.93 54.76 1bv4 s PHE 218 Cb -0.13 -0.44 0.07 0.00 0.51 0.00 0.00 43.02 43.03 1bv4 s PHE 218 CO 0.01 -0.96 1.10 -0.51 0.70 0.00 0.00 175.22 175.56 1bv4 s LEU 219 N -3.30 2.97 -0.03 -0.37 1.43 -1.12 -0.64 118.68 117.63 1bv4 s LEU 219 Ca 0.36 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.39 1bv4 s LEU 219 Cb 0.02 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.72 1bv4 s LEU 219 CO 0.23 -2.22 -0.21 -0.69 0.23 0.00 0.00 176.35 173.69 1bv4 s VAL 220 N -2.87 1.69 -0.17 -1.59 1.01 -1.26 -1.01 120.40 116.20 1bv4 s VAL 220 Ca 0.62 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1bv4 s VAL 220 Cb -0.18 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1bv4 s VAL 220 CO 0.56 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 175.25 1bv4 s VAL 221 N -0.31 2.02 -0.01 2.92 1.01 -1.26 0.27 120.40 125.04 1bv4 s VAL 221 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1bv4 s VAL 221 Cb -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1bv4 s VAL 221 CO 0.01 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.86 1bv4 s GLU 223 N -1.85 2.60 -0.01 0.00 -1.05 0.25 -1.00 118.70 117.64 1bv4 s GLU 223 Ca 0.27 -0.85 0.06 0.00 -0.15 0.00 0.00 54.97 54.29 1bv4 s GLU 223 Cb -0.13 -2.24 -0.01 0.00 -0.44 0.00 0.00 34.13 31.31 1bv4 s GLU 223 CO 0.17 0.41 -0.18 -0.06 0.95 0.00 0.00 175.26 176.56 1bv4 s PHE 224 N -0.23 1.60 -2.74 4.83 0.08 0.12 -2.16 117.98 119.48 1bv4 s PHE 224 Ca -0.01 -0.30 0.26 0.00 0.12 0.00 0.00 56.93 57.00 1bv4 s PHE 224 Cb -0.13 -1.03 0.63 0.00 -0.57 0.00 0.00 43.02 41.91 1bv4 s PHE 224 CO 0.03 -0.03 1.51 0.45 -0.10 0.00 0.00 175.22 177.08