#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2epu s SER 94 N 0.00 2.63 -0.06 1.61 0.15 -1.26 -5.06 113.70 111.70 2epu s SER 94 Ca 0.00 1.23 0.01 0.00 0.70 0.00 0.00 55.95 57.89 2epu s SER 94 Cb 0.00 -1.90 0.02 0.00 -1.71 0.00 0.00 66.02 62.43 2epu s SER 94 CO 0.00 -3.14 -0.09 -0.55 1.20 0.00 0.00 173.24 170.67 2epu s SER 95 N -3.42 1.56 0.57 5.45 0.15 -1.26 -5.13 113.70 111.62 2epu s SER 95 Ca 0.65 -0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.88 2epu s SER 95 Cb -0.19 -0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 2epu s SER 95 CO 0.58 -0.02 1.14 -0.83 1.20 0.00 0.00 173.24 175.31 2epu s GLY 96 N 0.91 2.58 -0.20 9.45 0.00 -1.26 -4.98 107.32 113.81 2epu s GLY 96 Ca -0.11 0.82 -0.10 0.00 0.00 0.00 0.00 44.72 45.34 2epu s GLY 96 CO 0.01 1.19 0.05 -1.14 0.00 0.00 0.00 173.10 173.21 2epu n SER 97 N -1.55 2.00 -4.11 1.64 3.41 -1.26 -4.94 113.62 108.80 2epu n SER 97 Ca 0.12 0.21 -0.19 0.00 -0.26 0.00 0.00 58.87 58.74 2epu n SER 97 Cb 0.51 -0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 63.55 2epu n SER 97 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2epu s SER 98 N -6.97 1.48 0.00 4.04 0.01 -1.26 -4.87 113.70 106.14 2epu s SER 98 Ca -0.30 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2epu s SER 98 Cb 0.09 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2epu s SER 98 CO 0.63 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.93 2epu n GLY 99 N 2.08 3.35 3.72 3.44 0.00 -1.26 -5.09 105.19 111.43 2epu n GLY 99 Ca -0.17 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2epu n GLY 99 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2epu n THR 100 N 0.00 1.29 0.00 2.61 5.66 -1.26 -4.94 114.28 117.64 2epu n THR 100 Ca 0.00 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2epu n THR 100 Cb 0.00 -1.75 0.00 0.00 -1.55 0.00 0.00 70.33 67.03 2epu n THR 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2epu n GLY 101 N 1.71 1.46 3.15 1.09 0.00 -1.26 -5.14 105.19 106.20 2epu n GLY 101 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2epu n GLY 101 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2epu s GLN 102 N 0.95 0.54 0.46 1.61 0.74 -1.26 -5.17 119.66 117.54 2epu s GLN 102 Ca 0.00 0.95 -0.05 0.00 0.05 0.00 0.00 55.36 56.31 2epu s GLN 102 Cb 0.00 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.60 2epu s GLN 102 CO 0.00 -0.60 0.76 0.15 -0.55 0.00 0.00 175.29 175.05 2epu s LYS 103 N 2.87 3.55 0.25 1.67 3.01 -1.26 -4.97 119.74 124.85 2epu s LYS 103 Ca 0.19 0.15 0.23 0.00 -1.01 0.00 0.00 55.97 55.53 2epu s LYS 103 Cb -0.14 -2.41 0.97 0.00 -1.01 0.00 0.00 37.83 35.23 2epu s LYS 103 CO -0.20 -0.16 1.70 -0.35 0.51 0.00 0.00 175.35 176.85 2epu n PRO 104 N -2.16 0.19 -3.46 -1.68 -0.04 -1.26 -4.43 135.00 122.16 2epu n PRO 104 Ca 0.00 0.42 -0.19 0.00 -0.04 0.00 0.00 63.50 63.69 2epu n PRO 104 Cb 0.55 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 2epu n PRO 104 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2epu s PHE 105 N -3.31 -0.30 0.05 0.54 0.08 -1.26 -4.95 117.98 108.84 2epu s PHE 105 Ca 0.04 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.14 2epu s PHE 105 Cb 0.09 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 42.07 2epu s PHE 105 CO 0.38 -0.76 -0.24 -2.00 -0.10 0.00 0.00 175.22 172.51 2epu s GLU 106 N 2.32 1.55 -1.25 0.44 2.12 -1.26 -0.33 118.70 122.29 2epu s GLU 106 Ca 0.08 -1.05 -0.12 0.00 0.36 0.00 0.00 54.97 54.24 2epu s GLU 106 Cb -0.15 -1.72 0.16 0.00 0.26 0.00 0.00 34.13 32.68 2epu s GLU 106 CO -0.23 0.44 1.63 0.00 -0.54 0.00 0.00 175.26 176.56 2epu h THR 108 N 4.33 0.02 0.36 0.00 1.03 -1.93 0.73 112.91 117.45 2epu h THR 108 Ca 0.36 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.76 2epu h THR 108 Cb 0.77 0.03 -0.03 0.00 -1.07 0.00 0.00 68.15 67.86 2epu h THR 108 CO 1.41 0.00 -0.47 0.45 -0.01 0.00 0.00 175.52 176.90 2epu h HIS 109 N 0.00 -1.30 0.00 0.00 3.86 -1.97 -3.39 115.15 112.35 2epu h HIS 109 Ca 0.62 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.68 2epu h HIS 109 Cb 3.11 0.52 -0.03 0.00 1.06 0.00 0.00 27.41 32.08 2epu h HIS 109 CO 0.00 -0.61 -1.58 0.00 0.86 0.00 0.00 177.93 176.60 2epu n GLY 111 N 2.81 0.47 3.63 0.00 0.00 0.23 -5.05 105.19 107.28 2epu n GLY 111 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2epu n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2epu s LYS 112 N 0.00 3.94 0.38 1.61 2.47 -1.24 -4.66 119.74 122.24 2epu s LYS 112 Ca 0.00 1.37 -0.02 0.00 -1.56 0.00 0.00 55.97 55.76 2epu s LYS 112 Cb 0.00 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.45 2epu s LYS 112 CO 0.00 -1.08 0.62 -1.54 0.16 0.00 0.00 175.35 173.51 2epu s SER 113 N 2.88 6.30 0.24 1.43 1.04 -1.26 0.27 113.70 124.61 2epu s SER 113 Ca 0.58 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 57.57 2epu s SER 113 Cb -0.19 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 2epu s SER 113 CO 0.23 -0.37 0.37 -0.36 0.98 0.00 0.00 173.24 174.08 2epu s PHE 114 N -2.42 0.69 -0.15 5.02 0.40 0.55 -4.95 117.98 117.11 2epu s PHE 114 Ca 0.43 -0.99 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 2epu s PHE 114 Cb -0.10 -0.08 -0.24 0.00 0.51 0.00 0.00 43.02 43.11 2epu s PHE 114 CO 0.38 -0.89 0.37 -0.09 0.70 0.00 0.00 175.22 175.68 2epu h ARG 115 N 2.36 0.15 -5.85 0.44 2.43 -1.99 -3.35 114.38 108.57 2epu h ARG 115 Ca -0.29 -0.26 -0.59 0.00 -0.81 0.00 0.00 59.98 58.03 2epu h ARG 115 Cb 1.25 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.79 2epu h ARG 115 CO 0.41 1.12 -0.55 0.00 -1.51 0.00 0.00 179.97 179.45 2epu s ALA 116 N -2.45 3.40 0.01 2.80 0.00 -1.26 -4.70 121.76 119.56 2epu s ALA 116 Ca -0.24 -2.14 -0.18 0.00 0.00 0.00 0.00 51.96 49.39 2epu s ALA 116 Cb 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.85 2epu s ALA 116 CO 0.70 -0.11 1.04 -0.22 0.00 0.00 0.00 175.76 177.16 2epu h LYS 117 N 1.59 -0.64 -0.64 0.00 3.64 -1.93 -3.20 116.57 115.39 2epu h LYS 117 Ca -0.43 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.05 2epu h LYS 117 Cb 1.25 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.14 2epu h LYS 117 CO 0.73 -0.43 -0.38 0.41 -2.27 0.00 0.00 179.45 177.51 2epu n GLY 118 N -0.65 -2.49 0.33 5.01 0.00 -1.26 -0.27 105.19 105.86 2epu n GLY 118 Ca -0.08 0.92 0.02 0.00 0.00 0.00 0.00 46.02 46.88 2epu n GLY 118 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2epu n ASN 119 N -4.49 -0.44 0.05 1.61 4.05 -1.25 -0.24 115.26 114.56 2epu n ASN 119 Ca 0.01 1.53 -0.13 0.00 0.45 0.00 0.00 54.58 56.44 2epu n ASN 119 Cb 0.17 -0.41 -0.09 0.00 1.23 0.00 0.00 39.78 40.68 2epu n ASN 119 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2epu h LEU 120 N 0.00 -0.12 -0.88 1.20 5.85 -0.63 -2.86 115.31 117.87 2epu h LEU 120 Ca 0.37 -0.30 0.23 0.00 0.84 0.00 0.00 57.88 59.02 2epu h LEU 120 Cb 0.59 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.51 2epu h LEU 120 CO -0.89 0.25 0.19 0.58 -0.34 0.00 0.00 178.44 178.23 2epu h VAL 121 N -0.51 0.28 -0.23 1.05 2.07 0.25 0.75 116.25 119.92 2epu h VAL 121 Ca -0.01 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2epu h VAL 121 Cb 0.42 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2epu h VAL 121 CO 0.02 0.03 -0.15 0.74 0.02 0.00 0.00 177.57 178.23 2epu h THR 122 N 0.17 1.22 -0.13 2.57 2.02 -0.80 -3.00 112.91 114.97 2epu h THR 122 Ca 0.54 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2epu h THR 122 Cb 1.09 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2epu h THR 122 CO -0.68 0.31 -0.04 -0.74 0.37 0.00 0.00 175.52 174.73 2epu h HIS 123 N 0.35 0.29 -0.91 3.16 -0.00 0.68 -2.97 115.15 115.75 2epu h HIS 123 Ca 0.07 -0.07 0.23 0.00 -0.00 0.00 0.00 60.37 60.60 2epu h HIS 123 Cb 0.48 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.76 2epu h HIS 123 CO 0.01 0.57 0.62 1.96 -0.00 0.00 0.00 177.93 181.09 2epu h GLN 124 N -0.08 0.23 -0.03 5.26 4.20 -0.99 0.25 115.11 123.95 2epu h GLN 124 Ca 0.03 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2epu h GLN 124 Cb 0.48 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2epu h GLN 124 CO 0.02 0.15 0.39 0.00 -0.67 0.00 0.00 178.83 178.72 2epu h ARG 125 N 0.23 0.00 -0.02 1.46 3.08 -1.45 0.46 114.38 118.14 2epu h ARG 125 Ca 0.46 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.36 2epu h ARG 125 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 2epu h ARG 125 CO -0.12 0.00 -0.69 -0.84 -1.07 0.00 0.00 179.97 177.26 2epu h ILE 126 N 0.00 1.45 0.03 2.04 3.07 -0.66 -3.30 117.51 120.14 2epu h ILE 126 Ca 0.02 -2.26 -0.00 0.00 1.55 0.00 0.00 64.86 64.17 2epu h ILE 126 Cb 0.80 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.55 2epu h ILE 126 CO -0.00 0.65 -0.01 0.45 -1.05 0.00 0.00 178.15 178.19 2epu h HIS 127 N 0.08 -0.04 -1.39 0.16 3.86 -0.24 -3.46 115.15 114.12 2epu h HIS 127 Ca -0.01 -0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.68 2epu h HIS 127 Cb 1.22 0.01 0.13 0.00 1.06 0.00 0.00 27.41 29.83 2epu h HIS 127 CO 0.01 0.67 -0.79 0.25 0.86 0.00 0.00 177.93 178.93 2epu n THR 128 N -4.73 0.55 -3.20 2.45 -2.24 -1.08 -4.95 114.28 101.09 2epu n THR 128 Ca -0.08 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 2epu n THR 128 Cb 0.35 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2epu n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2epu n GLY 129 N 1.95 2.24 3.36 3.38 0.00 -1.26 -5.02 105.19 109.83 2epu n GLY 129 Ca 0.09 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2epu n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2epu s GLU 130 N -0.55 2.80 -1.13 1.61 -1.05 -1.26 -4.65 118.70 114.47 2epu s GLU 130 Ca 0.34 -1.23 -0.12 0.00 -0.15 0.00 0.00 54.97 53.80 2epu s GLU 130 Cb 0.13 -3.85 0.12 0.00 -0.44 0.00 0.00 34.13 30.09 2epu s GLU 130 CO -0.15 -0.84 0.31 0.36 0.95 0.00 0.00 175.26 175.89 2epu n LYS 131 N 5.03 -0.85 0.22 -4.83 -0.00 -1.26 -4.78 118.16 111.70 2epu n LYS 131 Ca -0.11 0.08 -0.09 0.00 -0.00 0.00 0.00 58.31 58.18 2epu n LYS 131 Cb 0.45 -2.79 -0.05 0.00 -0.00 0.00 0.00 35.03 32.64 2epu n LYS 131 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2epu h SER 132 N -0.57 -0.52 0.00 -5.58 0.87 -1.96 -3.49 113.55 102.30 2epu h SER 132 Ca -0.38 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2epu h SER 132 Cb 0.86 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2epu h SER 132 CO 0.54 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2epu n GLY 133 N 0.08 1.58 3.56 5.77 0.00 -1.26 -5.08 105.19 109.84 2epu n GLY 133 Ca -0.08 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 2epu n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2epu s PRO 134 N -2.00 2.55 -0.29 1.61 0.04 -1.26 -4.73 135.00 130.92 2epu s PRO 134 Ca 0.00 -0.43 0.11 0.00 0.04 0.00 0.00 61.00 60.72 2epu s PRO 134 Cb 0.00 -5.09 0.47 0.00 0.04 0.00 0.00 34.50 29.92 2epu s PRO 134 CO 0.00 -3.47 1.16 -1.13 0.04 0.00 0.00 177.00 173.60 2epu n SER 135 N 14.03 4.05 -0.28 6.66 3.41 -1.26 -4.90 113.62 135.33 2epu n SER 135 Ca 0.41 -3.32 -0.12 0.00 -0.26 0.00 0.00 58.87 55.58 2epu n SER 135 Cb 0.47 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 2epu n SER 135 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2epu h SER 136 N 2.32 -1.99 0.00 4.04 0.87 -2.08 -3.56 113.55 113.15 2epu h SER 136 Ca 0.24 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2epu h SER 136 Cb 1.43 0.85 0.00 0.00 -0.44 0.00 0.00 62.40 64.25 2epu h SER 136 CO 0.62 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.21