#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2epu n SER 94 N 0.00 0.76 -4.77 1.61 3.41 -1.26 -4.86 113.62 108.52 2epu n SER 94 Ca 0.00 1.17 -0.39 0.00 -0.26 0.00 0.00 58.87 59.39 2epu n SER 94 Cb 0.00 -0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 2epu n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2epu s SER 95 N 1.58 6.66 0.00 4.04 1.04 -1.26 -4.95 113.70 120.81 2epu s SER 95 Ca 0.97 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.74 2epu s SER 95 Cb -1.35 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 62.16 2epu s SER 95 CO 0.68 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2epu n GLY 96 N 0.69 -0.16 3.01 7.32 0.00 -1.26 -5.15 105.19 109.65 2epu n GLY 96 Ca 0.03 0.48 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 2epu n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2epu s SER 97 N 0.00 3.30 1.00 1.61 0.15 -1.26 -5.12 113.70 113.38 2epu s SER 97 Ca 0.00 -0.82 -0.16 0.00 0.70 0.00 0.00 55.95 55.67 2epu s SER 97 Cb 0.00 -1.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.06 2epu s SER 97 CO 0.00 -0.12 -0.01 -1.54 1.20 0.00 0.00 173.24 172.77 2epu n SER 98 N 4.68 -2.85 -3.03 5.45 3.41 -1.26 -4.96 113.62 115.06 2epu n SER 98 Ca -0.16 0.17 -0.24 0.00 -0.26 0.00 0.00 58.87 58.39 2epu n SER 98 Cb 0.47 -1.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.35 2epu n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2epu n GLY 99 N 2.07 4.97 0.37 5.00 0.00 -1.26 -4.89 105.19 111.45 2epu n GLY 99 Ca 0.03 -2.44 0.14 0.00 0.00 0.00 0.00 46.02 43.75 2epu n GLY 99 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2epu h THR 100 N 2.36 0.82 -3.93 2.61 1.35 -2.03 -3.43 112.91 110.66 2epu h THR 100 Ca 0.12 -0.18 -0.49 0.00 -0.55 0.00 0.00 66.41 65.31 2epu h THR 100 Cb 0.65 0.24 0.20 0.00 -1.73 0.00 0.00 68.15 67.51 2epu h THR 100 CO 0.72 0.10 0.16 -0.83 -0.25 0.00 0.00 175.52 175.42 2epu s GLY 101 N -3.74 1.64 0.32 5.82 0.00 -1.26 -4.97 107.32 105.13 2epu s GLY 101 Ca -0.09 0.31 -0.27 0.00 0.00 0.00 0.00 44.72 44.68 2epu s GLY 101 CO 0.77 0.83 1.00 -0.86 0.00 0.00 0.00 173.10 174.85 2epu s GLN 102 N -4.61 4.52 0.20 2.90 -2.07 -1.26 -5.07 119.66 114.27 2epu s GLN 102 Ca 0.67 1.50 0.11 0.00 -1.82 0.00 0.00 55.36 55.82 2epu s GLN 102 Cb -0.23 -2.87 -0.04 0.00 -1.09 0.00 0.00 33.01 28.77 2epu s GLN 102 CO 0.60 0.18 -0.22 0.15 -1.32 0.00 0.00 175.29 174.68 2epu s LYS 103 N -1.93 1.58 0.03 9.60 3.01 -1.26 -5.02 119.74 125.75 2epu s LYS 103 Ca 0.50 -1.53 0.15 0.00 -1.01 0.00 0.00 55.97 54.08 2epu s LYS 103 Cb -0.23 -1.87 0.64 0.00 -1.01 0.00 0.00 37.83 35.36 2epu s LYS 103 CO 0.29 0.39 1.48 -0.35 0.51 0.00 0.00 175.35 177.68 2epu n PRO 104 N 0.15 0.02 -3.42 -1.68 -0.04 -1.26 -4.43 135.00 124.34 2epu n PRO 104 Ca -0.12 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 2epu n PRO 104 Cb 0.56 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.03 -0.50 0.00 0.54 0.08 -1.26 -4.95 117.98 108.87 2epu s PHE 105 Ca 0.07 0.25 0.07 0.00 0.12 0.00 0.00 56.93 57.44 2epu s PHE 105 Cb 0.09 -0.29 -0.02 0.00 -0.57 0.00 0.00 43.02 42.23 2epu s PHE 105 CO 0.27 -0.75 -0.23 -2.00 -0.10 0.00 0.00 175.22 172.41 2epu s GLU 106 N 2.40 1.75 -1.30 0.44 2.12 -1.26 -0.21 118.70 122.64 2epu s GLU 106 Ca 0.09 -0.88 -0.11 0.00 0.36 0.00 0.00 54.97 54.43 2epu s GLU 106 Cb -0.15 -1.76 0.15 0.00 0.26 0.00 0.00 34.13 32.63 2epu s GLU 106 CO -0.20 0.47 1.88 0.00 -0.54 0.00 0.00 175.26 176.87 2epu n THR 108 N 3.80 -0.11 -0.13 0.00 5.66 -1.26 0.58 114.28 122.81 2epu n THR 108 Ca 0.42 1.19 -0.07 0.00 -3.05 0.00 0.00 64.05 62.53 2epu n THR 108 Cb 0.38 -1.97 -0.01 0.00 -1.55 0.00 0.00 70.33 67.17 2epu n THR 108 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2epu h HIS 109 N 0.00 -0.94 0.00 1.09 3.86 -1.97 -3.36 115.15 113.83 2epu h HIS 109 Ca 0.64 0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.87 2epu h HIS 109 Cb 2.29 0.47 -0.01 0.00 1.06 0.00 0.00 27.41 31.22 2epu h HIS 109 CO -0.00 -0.39 -1.17 0.00 0.86 0.00 0.00 177.93 177.23 2epu n GLY 111 N 3.24 1.10 3.64 0.00 0.00 0.19 -5.04 105.19 108.32 2epu n GLY 111 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.02 0.49 1.61 2.47 -1.24 -4.67 119.74 122.41 2epu s LYS 112 Ca 0.00 1.15 -0.02 0.00 -1.56 0.00 0.00 55.97 55.54 2epu s LYS 112 Cb 0.00 -3.79 -0.01 0.00 -1.46 0.00 0.00 37.83 32.57 2epu s LYS 112 CO 0.00 -0.98 0.75 -1.54 0.16 0.00 0.00 175.35 173.74 2epu s SER 113 N 2.08 5.85 0.32 1.43 1.04 -1.26 0.32 113.70 123.48 2epu s SER 113 Ca 0.50 0.53 -0.10 0.00 0.48 0.00 0.00 55.95 57.35 2epu s SER 113 Cb -0.14 -1.73 0.01 0.00 0.10 0.00 0.00 66.02 64.26 2epu s SER 113 CO 0.18 -0.77 0.56 -0.36 0.98 0.00 0.00 173.24 173.84 2epu s PHE 114 N -2.70 0.55 -0.22 5.02 0.40 0.71 -4.94 117.98 116.81 2epu s PHE 114 Ca 0.49 -0.94 -0.09 0.00 -0.60 0.00 0.00 56.93 55.79 2epu s PHE 114 Cb -0.10 0.26 -0.19 0.00 0.51 0.00 0.00 43.02 43.50 2epu s PHE 114 CO 0.41 -1.20 -0.01 0.54 0.70 0.00 0.00 175.22 175.67 2epu n ARG 115 N -0.49 0.65 -4.40 0.44 3.00 -1.26 -3.99 116.66 110.61 2epu n ARG 115 Ca -0.02 0.30 -0.25 0.00 -0.01 0.00 0.00 57.85 57.86 2epu n ARG 115 Cb 0.61 -1.61 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 2epu n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2epu s ALA 116 N -2.49 2.79 0.11 7.54 0.00 -1.26 -4.75 121.76 123.70 2epu s ALA 116 Ca -0.31 -1.71 -0.26 0.00 0.00 0.00 0.00 51.96 49.67 2epu s ALA 116 Cb 0.09 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 2epu s ALA 116 CO 0.62 0.35 1.64 -0.22 0.00 0.00 0.00 175.76 178.15 2epu h LYS 117 N 2.57 -0.42 -0.25 0.00 1.63 -1.94 -3.00 116.57 115.17 2epu h LYS 117 Ca -0.44 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.43 2epu h LYS 117 Cb 1.23 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.90 2epu h LYS 117 CO 0.56 -0.28 -0.41 0.78 -3.45 0.00 0.00 179.45 176.65 2epu h GLY 118 N -0.43 -1.26 -0.90 5.01 0.00 -1.98 0.21 103.07 103.72 2epu h GLY 118 Ca 0.04 0.73 0.19 0.00 0.00 0.00 0.00 47.33 48.30 2epu h GLY 118 CO -0.17 -0.29 -0.18 0.70 0.00 0.00 0.00 176.54 176.60 2epu n ASN 119 N -4.65 -0.28 0.00 0.19 3.02 -1.16 0.13 115.26 112.51 2epu n ASN 119 Ca -0.03 1.55 -0.13 0.00 -0.03 0.00 0.00 54.58 55.94 2epu n ASN 119 Cb 0.26 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 2epu n ASN 119 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2epu h LEU 120 N 0.00 -0.01 -0.77 3.41 5.85 -1.10 -3.03 115.31 119.67 2epu h LEU 120 Ca 0.46 -0.37 0.17 0.00 0.84 0.00 0.00 57.88 58.98 2epu h LEU 120 Cb 0.75 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.65 2epu h LEU 120 CO -0.91 0.37 -0.04 0.58 -0.34 0.00 0.00 178.44 178.10 2epu h VAL 121 N -0.38 0.30 -0.32 1.05 2.07 0.28 0.61 116.25 119.86 2epu h VAL 121 Ca -0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2epu h VAL 121 Cb 0.38 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2epu h VAL 121 CO 0.00 0.01 0.18 0.74 0.02 0.00 0.00 177.57 178.53 2epu h THR 122 N 0.07 1.10 -0.09 2.57 2.02 -1.06 -2.65 112.91 114.89 2epu h THR 122 Ca 0.41 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 2epu h THR 122 Cb 0.72 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2epu h THR 122 CO -0.70 0.11 -0.11 -0.74 0.37 0.00 0.00 175.52 174.44 2epu h HIS 123 N 0.44 0.28 -0.95 3.16 -0.00 0.27 -3.11 115.15 115.24 2epu h HIS 123 Ca 0.12 -0.09 0.24 0.00 -0.00 0.00 0.00 60.37 60.63 2epu h HIS 123 Cb 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 27.29 2epu h HIS 123 CO 0.00 0.69 0.64 1.96 -0.00 0.00 0.00 177.93 181.22 2epu h GLN 124 N -0.21 0.29 -0.04 5.26 4.20 -0.71 0.26 115.11 124.16 2epu h GLN 124 Ca 0.01 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2epu h GLN 124 Cb 0.65 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2epu h GLN 124 CO 0.03 0.19 0.45 0.00 -0.67 0.00 0.00 178.83 178.83 2epu h ARG 125 N 0.30 0.00 -0.02 1.46 3.08 -1.44 0.58 114.38 118.34 2epu h ARG 125 Ca 0.50 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.39 2epu h ARG 125 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 2epu h ARG 125 CO -0.16 0.00 -0.70 -0.84 -1.07 0.00 0.00 179.97 177.19 2epu h ILE 126 N 0.00 1.46 0.02 2.04 3.07 -0.65 -3.30 117.51 120.15 2epu h ILE 126 Ca 0.02 -2.30 -0.00 0.00 1.55 0.00 0.00 64.86 64.13 2epu h ILE 126 Cb 0.92 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.70 2epu h ILE 126 CO -0.00 0.67 -0.01 0.45 -1.05 0.00 0.00 178.15 178.21 2epu h HIS 127 N 0.08 -0.03 -0.83 0.16 3.86 0.02 -3.30 115.15 115.11 2epu h HIS 127 Ca -0.02 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.43 2epu h HIS 127 Cb 1.25 0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.57 2epu h HIS 127 CO 0.01 0.68 0.03 0.25 0.86 0.00 0.00 177.93 179.77 2epu n THR 128 N -4.74 -0.35 -3.43 2.45 -2.24 -1.11 -4.83 114.28 100.04 2epu n THR 128 Ca -0.09 1.82 -0.23 0.00 -2.27 0.00 0.00 64.05 63.28 2epu n THR 128 Cb 0.35 -2.67 0.01 0.00 -2.10 0.00 0.00 70.33 65.93 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 -1.41 -0.80 0.40 3.38 0.00 -1.25 -4.95 105.19 100.56 2epu n GLY 129 Ca 0.20 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.10 2epu n GLY 129 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2epu n GLU 130 N -1.29 0.00 -2.64 1.61 0.28 -1.26 -5.04 120.64 112.30 2epu n GLU 130 Ca -0.12 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.48 2epu n GLU 130 Cb 0.62 -0.79 -0.05 0.00 1.43 0.00 0.00 31.44 32.65 2epu n GLU 130 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2epu s LYS 131 N -1.99 4.76 -0.50 3.44 0.00 -1.26 -4.91 119.74 119.28 2epu s LYS 131 Ca 0.00 1.61 -0.47 0.00 0.00 0.00 0.00 55.97 57.11 2epu s LYS 131 Cb 0.00 -3.26 -0.20 0.00 0.00 0.00 0.00 37.83 34.37 2epu s LYS 131 CO 0.00 0.37 1.61 0.45 0.00 0.00 0.00 175.35 177.78 2epu n SER 132 N 1.54 1.22 -3.49 0.03 2.88 -1.26 -4.87 113.62 109.68 2epu n SER 132 Ca -0.01 1.18 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 2epu n SER 132 Cb 0.46 -0.88 0.14 0.00 -0.75 0.00 0.00 64.21 63.18 2epu n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2epu n GLY 133 N 4.04 -1.89 0.23 0.46 0.00 -1.26 -4.84 105.19 101.92 2epu n GLY 133 Ca 0.31 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.82 2epu n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2epu h PRO 134 N 0.00 0.00 -7.06 1.61 0.13 -2.06 -3.46 132.00 121.15 2epu h PRO 134 Ca -0.19 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.34 2epu h PRO 134 Cb 0.63 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.47 2epu h PRO 134 CO 0.11 0.21 -0.92 0.45 -0.23 0.00 0.00 178.00 177.63 2epu n SER 135 N -3.47 -1.13 0.10 1.44 2.88 -1.26 -4.85 113.62 107.33 2epu n SER 135 Ca -0.00 -1.21 -0.05 0.00 -1.33 0.00 0.00 58.87 56.28 2epu n SER 135 Cb 0.39 -1.85 -0.02 0.00 -0.75 0.00 0.00 64.21 61.97 2epu n SER 135 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2epu h SER 136 N -1.29 -0.26 0.00 -3.46 0.02 -2.02 -3.56 113.55 102.97 2epu h SER 136 Ca -0.62 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2epu h SER 136 Cb 1.39 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2epu h SER 136 CO 0.81 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.17