#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkx h GLN 91 N 0.00 0.75 -0.90 1.43 7.50 -1.98 -3.36 115.11 118.55 2kkx h GLN 91 Ca 0.00 -0.64 0.13 0.00 0.50 0.00 0.00 58.65 58.63 2kkx h GLN 91 Cb 0.00 0.14 -0.09 0.00 0.05 0.00 0.00 27.48 27.59 2kkx h GLN 91 CO 0.00 1.25 0.53 1.05 -1.50 0.00 0.00 178.83 180.15 2kkx h GLU 92 N 0.46 0.79 -0.25 1.46 9.09 -1.99 -0.09 114.58 124.04 2kkx h GLU 92 Ca -0.06 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.26 2kkx h GLU 92 Cb 1.43 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2kkx h GLU 92 CO 0.16 0.52 0.02 1.03 0.05 0.00 0.00 179.01 180.79 2kkx h SER 93 N 0.81 0.42 -0.69 3.06 0.87 -2.01 -2.77 113.55 113.25 2kkx h SER 93 Ca 0.46 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2kkx h SER 93 Cb 0.53 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2kkx h SER 93 CO -0.30 0.60 0.24 0.40 -0.53 0.00 0.00 176.83 177.24 2kkx h ILE 94 N 0.23 1.25 -0.75 2.23 2.04 -1.26 -1.39 117.51 119.86 2kkx h ILE 94 Ca 0.07 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2kkx h ILE 94 Cb 0.37 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2kkx h ILE 94 CO 0.01 0.33 0.49 1.56 0.00 0.00 0.00 178.15 180.54 2kkx h GLN 95 N 0.99 0.97 -0.60 2.37 1.08 -1.04 0.64 115.11 119.52 2kkx h GLN 95 Ca 0.22 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2kkx h GLN 95 Cb 0.27 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2kkx h GLN 95 CO -0.01 0.64 0.32 -0.91 -0.95 0.00 0.00 178.83 177.92 2kkx h ASN 96 N 1.00 0.76 0.09 1.46 2.35 -1.17 -2.49 115.58 117.59 2kkx h ASN 96 Ca 0.28 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2kkx h ASN 96 Cb -0.10 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2kkx h ASN 96 CO -0.07 0.65 -0.16 0.11 -1.65 0.00 0.00 177.43 176.32 2kkx h LYS 97 N 0.81 0.15 -0.33 0.81 6.56 -0.17 -0.59 116.57 123.82 2kkx h LYS 97 Ca 0.21 -0.03 -0.16 0.00 -1.06 0.00 0.00 60.65 59.60 2kkx h LYS 97 Cb 0.07 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2kkx h LYS 97 CO -0.03 0.32 -0.43 0.82 -2.06 0.00 0.00 179.45 178.07 2kkx h ILE 98 N 0.15 1.28 -0.22 1.86 2.04 -0.73 0.65 117.51 122.53 2kkx h ILE 98 Ca 0.03 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 2kkx h ILE 98 Cb 0.37 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2kkx h ILE 98 CO 0.02 0.53 -0.16 -1.28 0.00 0.00 0.00 178.15 177.26 2kkx h SER 99 N 0.66 0.37 -0.02 1.72 0.87 -0.95 -2.37 113.55 113.83 2kkx h SER 99 Ca 0.04 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2kkx h SER 99 Cb 1.03 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 2kkx h SER 99 CO 0.10 0.55 -0.31 1.56 -0.53 0.00 0.00 176.83 178.21 2kkx h GLN 100 N 0.35 0.24 0.00 2.24 1.08 -0.98 -3.37 115.11 114.68 2kkx h GLN 100 Ca 0.06 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2kkx h GLN 100 Cb 0.49 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2kkx h GLN 100 CO 0.03 0.93 -0.20 0.00 -0.95 0.00 0.00 178.83 178.64 2kkx s LYS 102 N -3.18 1.25 0.13 0.00 -2.85 -0.90 -4.44 119.74 109.76 2kkx s LYS 102 Ca 0.07 0.75 -0.19 0.00 -1.00 0.00 0.00 55.97 55.60 2kkx s LYS 102 Cb 0.09 -1.81 0.05 0.00 -2.06 0.00 0.00 37.83 34.10 2kkx s LYS 102 CO 0.66 -2.22 0.49 -0.59 0.10 0.00 0.00 175.35 173.79 2kkx s PHE 103 N -2.98 -0.35 -0.51 1.78 -0.71 -0.55 -4.95 117.98 109.71 2kkx s PHE 103 Ca 0.63 0.11 -0.27 0.00 -1.04 0.00 0.00 56.93 56.36 2kkx s PHE 103 Cb -0.17 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 2kkx s PHE 103 CO 0.57 -0.76 1.98 -1.12 -1.34 0.00 0.00 175.22 174.55 2kkx s SER 104 N -2.73 5.23 -0.64 1.98 0.01 -1.26 -1.70 113.70 114.60 2kkx s SER 104 Ca 0.02 0.77 -0.27 0.00 1.31 0.00 0.00 55.95 57.77 2kkx s SER 104 Cb 0.01 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.73 2kkx s SER 104 CO -0.12 -2.32 1.41 -0.69 0.41 0.00 0.00 173.24 171.93 2kkx s VAL 105 N 9.24 3.71 -0.35 3.43 1.01 -0.31 -4.95 120.40 132.19 2kkx s VAL 105 Ca 0.78 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 2kkx s VAL 105 Cb -0.16 -4.57 0.07 0.00 0.00 0.00 0.00 36.38 31.71 2kkx s VAL 105 CO 0.25 -1.41 0.10 0.00 0.00 0.00 0.00 175.10 174.05 2kkx h PRO 107 N 8.10 0.00 -0.16 0.00 0.13 -1.93 -1.21 132.00 136.93 2kkx h PRO 107 Ca -0.20 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.77 2kkx h PRO 107 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2kkx h PRO 107 CO 0.61 0.00 -0.58 1.05 -0.23 0.00 0.00 178.00 178.85 2kkx h GLU 108 N 0.00 0.52 0.01 0.86 4.11 -1.94 -2.66 114.58 115.48 2kkx h GLU 108 Ca 0.00 -0.34 -0.10 0.00 0.07 0.00 0.00 59.36 58.99 2kkx h GLU 108 Cb 0.01 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2kkx h GLU 108 CO 0.00 0.95 -0.54 -0.09 0.07 0.00 0.00 179.01 179.40 2kkx h ARG 109 N 0.39 0.02 0.00 1.06 2.43 -1.69 -3.36 114.38 113.23 2kkx h ARG 109 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2kkx h ARG 109 Cb 1.13 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2kkx h ARG 109 CO 0.11 1.02 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.40 2kkx h LEU 110 N -0.94 0.00 1.17 3.80 3.38 -1.44 -3.46 115.31 117.83 2kkx h LEU 110 Ca -0.14 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.53 2kkx h LEU 110 Cb 1.17 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 2kkx h LEU 110 CO -0.06 0.12 -0.28 0.00 0.09 0.00 0.00 178.44 178.30 2kkx n GLN 111 N -3.41 -1.40 -4.11 1.13 1.13 -1.00 -4.97 117.38 104.75 2kkx n GLN 111 Ca -0.01 0.85 -0.35 0.00 -1.94 0.00 0.00 57.00 55.55 2kkx n GLN 111 Cb 0.30 -5.16 -0.08 0.00 0.11 0.00 0.00 30.24 25.40 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx n PRO 113 N 2.52 0.36 -0.23 0.00 -0.04 -1.26 -4.79 135.00 131.57 2kkx n PRO 113 Ca -0.18 0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2kkx n PRO 113 Cb 0.54 -2.17 0.15 0.00 -0.04 0.00 0.00 33.50 31.98 2kkx n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkx h LEU 114 N -0.47 -0.03 -0.95 1.53 3.38 -1.97 -1.02 115.31 115.78 2kkx h LEU 114 Ca -0.47 0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2kkx h LEU 114 Cb 1.33 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 2kkx h LEU 114 CO 0.45 -0.04 0.60 1.05 0.09 0.00 0.00 178.44 180.60 2kkx h GLU 115 N 0.25 1.02 0.00 1.13 4.11 -1.95 0.42 114.58 119.56 2kkx h GLU 115 Ca 0.38 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.66 2kkx h GLU 115 Cb 0.62 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kkx h GLU 115 CO -0.49 0.67 -0.40 0.00 0.07 0.00 0.00 179.01 178.87 2kkx h ALA 116 N 1.47 1.19 -0.16 1.06 0.00 -1.52 -2.83 119.26 118.47 2kkx h ALA 116 Ca 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kkx h ALA 116 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kkx h ALA 116 CO -0.20 0.50 0.00 0.44 0.00 0.00 0.00 179.25 179.98 2kkx n ILE 117 N -3.84 0.77 -2.16 0.00 -5.35 -0.98 -4.70 119.36 103.10 2kkx n ILE 117 Ca -0.01 -0.88 -0.41 0.00 -0.27 0.00 0.00 62.75 61.17 2kkx n ILE 117 Cb 0.46 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 38.98 2kkx n ILE 117 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kkx s GLN 118 N -0.89 4.36 -0.33 6.28 0.74 0.14 -4.34 119.66 125.62 2kkx s GLN 118 Ca 0.12 2.14 -0.28 0.00 0.05 0.00 0.00 55.36 57.39 2kkx s GLN 118 Cb 0.07 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 31.02 2kkx s GLN 118 CO 0.09 -0.26 1.72 0.00 -0.55 0.00 0.00 175.29 176.29 2kkx n PRO 120 N 8.32 0.61 -0.08 0.00 -0.04 -1.26 -0.90 135.00 141.65 2kkx n PRO 120 Ca 0.22 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2kkx n PRO 120 Cb 0.47 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2kkx n PRO 120 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kkx h ILE 121 N 0.00 1.01 -0.00 0.52 2.04 -1.93 -3.40 117.51 115.75 2kkx h ILE 121 Ca 0.00 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.95 2kkx h ILE 121 Cb 0.04 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2kkx h ILE 121 CO 0.00 0.34 -0.84 0.35 0.00 0.00 0.00 178.15 178.01 2kkx n THR 122 N -4.58 0.00 -3.20 -0.27 -2.24 -1.15 -4.99 114.28 97.86 2kkx n THR 122 Ca -0.15 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 2kkx n THR 122 Cb 0.44 0.87 0.05 0.00 -2.10 0.00 0.00 70.33 69.59 2kkx n THR 122 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkx n LEU 123 N -1.33 -2.90 -3.86 3.22 7.99 -0.08 -5.01 117.00 115.02 2kkx n LEU 123 Ca 0.05 -0.36 -0.11 0.00 -0.01 0.00 0.00 56.01 55.57 2kkx n LEU 123 Cb 0.35 -2.78 -0.09 0.00 -0.11 0.00 0.00 43.42 40.78 2kkx n LEU 123 CO 0.40 0.39 -0.14 -1.83 -1.51 0.00 0.00 177.39 174.69 2kkx s GLU 124 N -5.87 0.55 -0.16 3.23 -1.05 -1.20 -4.99 118.70 109.21 2kkx s GLU 124 Ca 0.39 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.48 2kkx s GLU 124 Cb -0.17 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.72 2kkx s GLU 124 CO 0.49 -0.14 1.49 -1.14 0.95 0.00 0.00 175.26 176.91 2kkx s GLN 125 N -1.67 4.06 0.76 -4.83 -0.44 -1.26 -0.96 119.66 115.33 2kkx s GLN 125 Ca -0.12 1.80 -0.11 0.00 -2.50 0.00 0.00 55.36 54.42 2kkx s GLN 125 Cb -0.06 -3.92 0.05 0.00 -1.64 0.00 0.00 33.01 27.44 2kkx s GLN 125 CO 0.01 -0.95 1.08 -1.25 0.50 0.00 0.00 175.29 174.67 2kkx s PRO 126 N 4.07 2.36 0.06 1.67 0.04 -1.26 -4.91 135.00 137.02 2kkx s PRO 126 Ca 0.66 0.83 0.04 0.00 0.04 0.00 0.00 61.00 62.56 2kkx s PRO 126 Cb -0.26 -1.93 -0.24 0.00 0.04 0.00 0.00 34.50 32.11 2kkx s PRO 126 CO 0.24 -1.48 1.07 1.05 0.04 0.00 0.00 177.00 177.92 2kkx h GLU 127 N -0.99 0.10 -3.12 4.56 4.11 -1.95 -3.42 114.58 113.87 2kkx h GLU 127 Ca -0.46 -0.18 -0.15 0.00 0.07 0.00 0.00 59.36 58.65 2kkx h GLU 127 Cb 1.24 0.07 -0.23 0.00 0.50 0.00 0.00 28.75 30.33 2kkx h GLU 127 CO 0.57 0.99 -0.38 -1.59 0.07 0.00 0.00 179.01 178.67 2kkx s LYS 128 N -2.66 0.42 0.06 1.06 -2.85 -1.26 -1.16 119.74 113.35 2kkx s LYS 128 Ca -0.03 0.14 -0.27 0.00 -1.00 0.00 0.00 55.97 54.82 2kkx s LYS 128 Cb 0.08 0.19 0.09 0.00 -2.06 0.00 0.00 37.83 36.14 2kkx s LYS 128 CO 0.84 -0.08 0.79 0.20 0.10 0.00 0.00 175.35 177.20 2kkx s GLY 129 N -0.40 -0.50 0.15 0.59 0.00 -0.69 -1.73 107.32 104.74 2kkx s GLY 129 Ca -0.05 0.78 0.08 0.00 0.00 0.00 0.00 44.72 45.53 2kkx s GLY 129 CO 0.01 0.26 -0.11 -0.26 0.00 0.00 0.00 173.10 173.00 2kkx s ILE 130 N -3.35 3.17 -0.26 0.90 -4.36 0.33 -1.49 121.20 116.15 2kkx s ILE 130 Ca 0.04 -1.52 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 2kkx s ILE 130 Cb -0.01 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 2kkx s ILE 130 CO -0.10 -0.01 0.46 -0.36 0.24 0.00 0.00 174.94 175.17 2kkx s PHE 131 N -1.46 3.27 -0.18 1.37 0.08 -1.23 -1.25 117.98 118.57 2kkx s PHE 131 Ca 0.23 0.56 0.01 0.00 0.12 0.00 0.00 56.93 57.84 2kkx s PHE 131 Cb -0.10 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2kkx s PHE 131 CO 0.14 -0.24 -0.19 0.08 -0.10 0.00 0.00 175.22 174.90 2kkx s VAL 132 N 2.15 2.03 -0.11 -0.44 1.01 -0.77 -0.90 120.40 123.38 2kkx s VAL 132 Ca 0.19 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2kkx s VAL 132 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2kkx s VAL 132 CO 0.09 0.51 1.57 -1.59 0.00 0.00 0.00 175.10 175.68 2kkx s LYS 133 N 1.30 4.10 -1.16 2.72 -2.85 0.30 -1.99 119.74 122.16 2kkx s LYS 133 Ca 0.04 1.97 -0.23 0.00 -1.00 0.00 0.00 55.97 56.76 2kkx s LYS 133 Cb -0.13 -3.96 -0.08 0.00 -2.06 0.00 0.00 37.83 31.60 2kkx s LYS 133 CO -0.12 -0.93 1.93 1.21 0.10 0.00 0.00 175.35 177.54 2kkx s ASN 134 N 3.31 5.11 0.00 0.03 3.84 0.22 -4.80 114.94 122.65 2kkx s ASN 134 Ca 0.70 -1.58 -0.24 0.00 0.21 0.00 0.00 52.86 51.94 2kkx s ASN 134 Cb -0.29 -2.59 -0.15 0.00 -0.55 0.00 0.00 41.25 37.67 2kkx s ASN 134 CO 0.27 -2.97 1.14 -1.28 -2.79 0.00 0.00 177.10 171.46 2kkx h SER 135 N 9.82 -0.47 0.41 -4.21 0.87 -1.88 0.15 113.55 118.24 2kkx h SER 135 Ca 0.21 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2kkx h SER 135 Cb 0.94 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2kkx h SER 135 CO 1.23 -0.08 -0.30 -0.78 -0.53 0.00 0.00 176.83 176.37 2kkx h ASP 136 N -0.92 0.00 0.13 6.23 3.58 -1.99 -2.80 116.42 120.65 2kkx h ASP 136 Ca -0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2kkx h ASP 136 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2kkx h ASP 136 CO 0.09 0.30 -0.06 1.23 -2.88 0.00 0.00 179.24 177.92 2kkx h GLY 137 N 1.11 -0.18 -0.10 -0.78 0.00 -1.96 -3.46 103.07 97.70 2kkx h GLY 137 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2kkx h GLY 137 CO 0.04 -0.07 -0.02 1.44 0.00 0.00 0.00 176.54 177.93 2kkx n SER 138 N -3.30 0.00 -0.48 0.19 7.64 -1.01 -5.00 113.62 111.65 2kkx n SER 138 Ca -0.02 -1.04 -0.06 0.00 1.01 0.00 0.00 58.87 58.76 2kkx n SER 138 Cb 0.07 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 2kkx n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kkx n ASP 139 N 0.00 -4.90 -4.67 6.43 2.03 0.48 -4.98 116.55 110.94 2kkx n ASP 139 Ca 0.00 0.16 -0.40 0.00 0.52 0.00 0.00 54.79 55.07 2kkx n ASP 139 Cb 0.51 -2.96 -0.06 0.00 -0.72 0.00 0.00 41.12 37.89 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kkx s VAL 140 N -1.85 5.04 0.01 5.18 1.01 -1.05 -3.70 120.40 125.04 2kkx s VAL 140 Ca 0.00 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 2kkx s VAL 140 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2kkx s VAL 140 CO 0.00 0.15 0.78 0.00 0.00 0.00 0.00 175.10 176.03 2kkx s THR 142 N 0.30 2.04 -0.52 0.00 2.01 -0.84 -4.67 115.64 113.96 2kkx s THR 142 Ca 0.40 -1.50 -0.20 0.00 0.31 0.00 0.00 61.69 60.70 2kkx s THR 142 Cb -0.20 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.59 2kkx s THR 142 CO 0.22 0.19 0.69 -0.22 -0.69 0.00 0.00 174.62 174.81 2kkx s LEU 143 N -1.58 4.84 -0.12 4.42 2.96 -1.26 -1.84 118.68 126.10 2kkx s LEU 143 Ca 0.11 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 2kkx s LEU 143 Cb -0.10 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2kkx s LEU 143 CO 0.04 -0.97 0.15 -0.36 -1.32 0.00 0.00 176.35 173.89 2kkx s PHE 144 N 2.87 3.60 0.40 5.38 0.08 -0.38 -3.45 117.98 126.48 2kkx s PHE 144 Ca 0.17 0.54 -0.27 0.00 0.12 0.00 0.00 56.93 57.50 2kkx s PHE 144 Cb -0.18 -1.95 -0.10 0.00 -0.57 0.00 0.00 43.02 40.21 2kkx s PHE 144 CO 0.13 0.74 1.45 0.34 -0.10 0.00 0.00 175.22 177.78 2kkx s ASP 145 N -1.04 6.24 0.13 1.36 -1.08 -1.26 -0.51 116.67 120.51 2kkx s ASP 145 Ca 0.15 2.98 -0.19 0.00 -0.52 0.00 0.00 52.55 54.97 2kkx s ASP 145 Cb -0.12 -2.66 -0.02 0.00 -1.46 0.00 0.00 42.92 38.66 2kkx s ASP 145 CO 0.04 -0.94 1.72 0.00 0.52 0.00 0.00 175.17 176.52 2kkx h ALA 146 N 2.83 0.19 -0.09 3.66 0.00 -1.64 -1.46 119.26 122.75 2kkx h ALA 146 Ca -0.51 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2kkx h ALA 146 Cb 1.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2kkx h ALA 146 CO 0.63 -0.43 -0.64 0.00 0.00 0.00 0.00 179.25 178.81 2kkx h ALA 147 N 1.19 0.74 -0.07 0.00 0.00 -1.92 -2.64 119.26 116.56 2kkx h ALA 147 Ca 0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kkx h ALA 147 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kkx h ALA 147 CO -0.18 0.74 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 2kkx h ALA 148 N 1.08 0.11 -0.29 0.00 0.00 -1.86 -1.31 119.26 116.98 2kkx h ALA 148 Ca -0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2kkx h ALA 148 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kkx h ALA 148 CO 0.11 -0.08 -0.54 0.35 0.00 0.00 0.00 179.25 179.09 2kkx h PHE 149 N -0.25 1.08 -0.54 0.00 3.57 -1.38 -2.47 116.94 116.94 2kkx h PHE 149 Ca 0.01 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2kkx h PHE 149 Cb 0.59 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2kkx h PHE 149 CO 0.09 1.20 0.34 1.03 -2.23 0.00 0.00 178.31 178.75 2kkx h SER 150 N 0.66 0.63 0.31 0.41 0.87 -1.50 -1.72 113.55 113.22 2kkx h SER 150 Ca 0.02 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2kkx h SER 150 Cb 1.14 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2kkx h SER 150 CO 0.12 0.47 -0.15 -0.09 -0.53 0.00 0.00 176.83 176.65 2kkx h ARG 151 N 0.74 -0.40 -0.64 2.24 2.43 -1.08 -2.01 114.38 115.66 2kkx h ARG 151 Ca 0.20 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 2kkx h ARG 151 Cb -0.06 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 2kkx h ARG 151 CO -0.04 -0.19 0.21 -0.07 -1.51 0.00 0.00 179.97 178.37 2kkx h LEU 152 N -0.53 0.17 -0.03 3.80 3.38 -0.91 0.15 115.31 121.33 2kkx h LEU 152 Ca -0.04 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kkx h LEU 152 Cb 0.39 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kkx h LEU 152 CO 0.07 0.09 0.02 0.58 0.09 0.00 0.00 178.44 179.28 2kkx h VAL 153 N 0.37 1.08 0.00 1.22 2.07 -1.37 -0.12 116.25 119.49 2kkx h VAL 153 Ca 0.33 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2kkx h VAL 153 Cb 0.46 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kkx h VAL 153 CO -0.36 0.06 0.00 1.23 0.02 0.00 0.00 177.57 178.53 2kkx h GLY 154 N -0.05 0.00 1.75 2.17 0.00 -0.49 -1.07 103.07 105.39 2kkx h GLY 154 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.13 2kkx h GLY 154 CO -0.00 0.00 -1.09 0.83 0.00 0.00 0.00 176.54 176.28 2kkx h GLU 155 N 0.00 0.00 0.00 4.80 4.39 -0.52 -3.48 114.58 119.76 2kkx h GLU 155 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkx h GLU 155 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2kkx h GLU 155 CO 0.00 0.80 0.00 0.41 -1.16 0.00 0.00 179.01 179.06 2kkx n GLY 156 N 1.37 1.19 3.87 -3.84 0.00 -0.41 -5.10 105.19 102.28 2kkx n GLY 156 Ca -0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2kkx n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkx s LEU 157 N 0.00 4.25 0.00 0.99 1.43 -0.13 -5.03 118.68 120.19 2kkx s LEU 157 Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2kkx s LEU 157 Cb 0.00 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2kkx s LEU 157 CO 0.00 0.02 0.00 -0.81 0.23 0.00 0.00 176.35 175.79 2kkx n PRO 158 N 0.27 0.24 -1.83 1.29 -0.04 -1.26 -4.31 135.00 129.36 2kkx n PRO 158 Ca -0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 2kkx n PRO 158 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2kkx n PRO 158 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kkx s HIS 159 N -0.70 2.48 -0.98 0.54 5.65 -0.19 -4.89 115.29 117.20 2kkx s HIS 159 Ca 0.00 0.24 0.12 0.00 0.25 0.00 0.00 55.06 55.68 2kkx s HIS 159 Cb 0.00 -4.06 0.52 0.00 -1.18 0.00 0.00 32.58 27.86 2kkx s HIS 159 CO 0.00 -4.22 1.39 -0.35 -0.65 0.00 0.00 174.74 170.91 2kkx n PRO 160 N 5.18 0.01 -0.04 2.88 -0.04 -1.26 -1.00 135.00 140.73 2kkx n PRO 160 Ca 0.16 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.89 2kkx n PRO 160 Cb 0.39 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2kkx n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkx n LEU 161 N -1.53 0.93 -0.43 1.53 4.77 -1.26 -4.81 117.00 116.20 2kkx n LEU 161 Ca 0.03 0.16 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 2kkx n LEU 161 Cb 0.14 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 2kkx n LEU 161 CO 0.11 -0.41 0.36 1.07 -1.33 0.00 0.00 177.39 177.19 2kkx n THR 162 N -3.44 0.00 -1.66 -5.08 5.66 -1.23 -4.96 114.28 103.57 2kkx n THR 162 Ca -0.06 -0.22 -0.18 0.00 -3.05 0.00 0.00 64.05 60.53 2kkx n THR 162 Cb 0.23 1.07 -0.07 0.00 -1.55 0.00 0.00 70.33 70.02 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkx n ARG 163 N -0.21 -1.30 -2.70 1.09 5.12 -0.17 -4.97 116.66 113.52 2kkx n ARG 163 Ca 0.10 1.10 -0.33 0.00 -1.93 0.00 0.00 57.85 56.79 2kkx n ARG 163 Cb 0.44 -5.41 -0.06 0.00 -1.16 0.00 0.00 32.46 26.27 2kkx n ARG 163 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkx s GLU 164 N -3.77 4.12 -0.03 5.56 0.41 -1.26 -4.56 118.70 119.17 2kkx s GLU 164 Ca 0.00 1.03 -0.30 0.00 -0.41 0.00 0.00 54.97 55.29 2kkx s GLU 164 Cb 0.00 -2.18 -0.07 0.00 -1.78 0.00 0.00 34.13 30.10 2kkx s GLU 164 CO 0.00 -0.10 1.85 -1.25 -0.49 0.00 0.00 175.26 175.28 2kkx s PRO 165 N -3.47 4.06 0.25 0.39 0.04 -1.26 -1.02 135.00 133.99 2kkx s PRO 165 Ca 0.60 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.70 2kkx s PRO 165 Cb -0.09 -4.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.24 2kkx s PRO 165 CO 0.19 -1.03 1.45 0.42 0.04 0.00 0.00 177.00 178.08 2kkx s ILE 166 N 4.66 2.61 0.14 0.56 1.01 -1.26 -4.91 121.20 124.01 2kkx s ILE 166 Ca 0.83 0.51 -0.10 0.00 0.00 0.00 0.00 60.65 61.89 2kkx s ILE 166 Cb -0.37 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2kkx s ILE 166 CO 0.36 0.08 0.29 0.28 0.00 0.00 0.00 174.94 175.96 2kkx s THR 167 N -0.00 0.08 0.32 2.92 -1.32 -1.26 -4.98 115.64 111.40 2kkx s THR 167 Ca 0.60 -1.20 0.27 0.00 -1.21 0.00 0.00 61.69 60.15 2kkx s THR 167 Cb -0.42 -1.62 0.28 0.00 -1.51 0.00 0.00 72.50 69.23 2kkx s THR 167 CO 0.44 -0.37 2.00 0.00 -2.21 0.00 0.00 174.62 174.48 2kkx h ALA 168 N 2.55 1.18 -0.29 11.08 0.00 -1.94 -3.11 119.26 128.72 2kkx h ALA 168 Ca -0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kkx h ALA 168 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kkx h ALA 168 CO 0.49 0.18 0.07 0.77 0.00 0.00 0.00 179.25 180.76 2kkx h SER 169 N 0.00 0.45 0.80 0.00 0.02 -1.99 -3.20 113.55 109.64 2kkx h SER 169 Ca -0.00 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2kkx h SER 169 Cb 0.46 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2kkx h SER 169 CO 0.02 0.57 -0.04 2.30 -1.14 0.00 0.00 176.83 178.54 2kkx n ILE 170 N -4.66 0.00 -3.58 3.27 -5.35 -1.18 -4.74 119.36 103.12 2kkx n ILE 170 Ca -0.02 -0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.09 2kkx n ILE 170 Cb 0.19 -0.42 -0.07 0.00 -1.74 0.00 0.00 39.64 37.60 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -2.84 5.33 0.33 7.28 2.07 -1.21 -0.54 121.20 131.61 2kkx s ILE 171 Ca 0.19 0.48 0.03 0.00 -1.41 0.00 0.00 60.65 59.94 2kkx s ILE 171 Cb 0.19 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.14 2kkx s ILE 171 CO 0.52 0.41 0.12 0.68 -1.91 0.00 0.00 174.94 174.76 2kkx s VAL 172 N 0.40 0.59 0.42 4.00 -7.23 -0.07 -4.96 120.40 113.54 2kkx s VAL 172 Ca 0.15 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2kkx s VAL 172 Cb -0.13 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2kkx s VAL 172 CO 0.03 0.00 0.52 -0.54 -0.31 0.00 0.00 175.10 174.80 2kkx s LYS 173 N -3.84 2.77 0.54 4.82 1.02 -1.26 -3.54 119.74 120.26 2kkx s LYS 173 Ca 0.33 -1.30 0.21 0.00 0.02 0.00 0.00 55.97 55.23 2kkx s LYS 173 Cb 0.05 -2.68 1.45 0.00 -0.52 0.00 0.00 37.83 36.13 2kkx s LYS 173 CO 0.16 -0.24 2.16 1.25 -0.92 0.00 0.00 175.35 177.75 2kkx h HIS 174 N 0.73 0.00 0.05 3.18 -0.00 -1.87 -2.43 115.15 114.82 2kkx h HIS 174 Ca -0.40 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 59.73 2kkx h HIS 174 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.68 2kkx h HIS 174 CO 0.43 0.00 -1.06 0.93 -0.00 0.00 0.00 177.93 178.23 2kkx h GLU 175 N 0.00 0.18 0.00 5.26 3.07 -1.96 -3.32 114.58 117.81 2kkx h GLU 175 Ca 0.03 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2kkx h GLU 175 Cb 0.14 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2kkx h GLU 175 CO -0.00 1.08 -0.43 1.49 -1.40 0.00 0.00 179.01 179.75 2kkx h GLU 176 N 0.07 0.00 -6.47 2.33 4.81 -1.84 -3.44 114.58 110.04 2kkx h GLU 176 Ca -0.07 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.49 2kkx h GLU 176 Cb 1.76 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.97 2kkx h GLU 176 CO 0.16 0.00 -0.74 0.00 -0.73 0.00 0.00 179.01 177.70 2kkx s ILE 178 N -1.08 0.74 0.23 0.00 -0.00 -0.28 -4.81 121.20 116.00 2kkx s ILE 178 Ca 0.18 -1.48 -0.30 0.00 -0.00 0.00 0.00 60.65 59.05 2kkx s ILE 178 Cb -0.11 -1.14 -0.09 0.00 -0.00 0.00 0.00 42.46 41.12 2kkx s ILE 178 CO 0.10 -0.55 1.36 -0.72 -0.00 0.00 0.00 174.94 175.13 2kkx s TYR 179 N -2.26 3.15 -0.10 1.37 1.13 -1.26 -0.93 117.35 118.44 2kkx s TYR 179 Ca 0.01 1.16 0.00 0.00 -1.41 0.00 0.00 57.07 56.83 2kkx s TYR 179 Cb -0.04 -3.69 -0.02 0.00 -1.10 0.00 0.00 41.96 37.11 2kkx s TYR 179 CO -0.01 -2.19 -0.11 0.34 -2.51 0.00 0.00 175.55 171.07 2kkx s ASP 180 N 0.29 4.22 -0.05 -0.18 -1.08 -0.29 -4.88 116.67 114.71 2kkx s ASP 180 Ca 0.57 -0.22 -0.27 0.00 -0.52 0.00 0.00 52.55 52.12 2kkx s ASP 180 Cb -0.39 -1.38 -0.22 0.00 -1.46 0.00 0.00 42.92 39.48 2kkx s ASP 180 CO 0.41 0.24 1.16 -0.78 0.52 0.00 0.00 175.17 176.72 2kkx h ASP 181 N 6.14 0.00 0.88 -0.34 3.58 -1.96 -0.30 116.42 124.41 2kkx h ASP 181 Ca -0.35 -0.60 -0.05 0.00 0.42 0.00 0.00 57.03 56.45 2kkx h ASP 181 Cb 1.19 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2kkx h ASP 181 CO 0.55 0.60 -0.26 0.00 -2.88 0.00 0.00 179.24 177.25 2kkx h THR 182 N -0.59 0.64 0.08 2.25 1.03 -1.96 -2.55 112.91 111.81 2kkx h THR 182 Ca -0.00 -1.19 -0.29 0.00 -0.01 0.00 0.00 66.41 64.92 2kkx h THR 182 Cb 0.60 1.79 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 2kkx h THR 182 CO 0.00 0.25 -1.50 0.03 -0.01 0.00 0.00 175.52 174.30 2kkx h ARG 183 N 0.00 0.17 -1.54 0.00 2.47 -2.00 -3.48 114.38 109.99 2kkx h ARG 183 Ca -0.00 -0.29 -0.25 0.00 -1.26 0.00 0.00 59.98 58.18 2kkx h ARG 183 Cb 0.77 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.16 2kkx h ARG 183 CO 0.03 0.99 -0.30 0.41 0.56 0.00 0.00 179.97 181.67 2kkx n GLY 184 N 1.61 0.13 3.18 0.04 0.00 -0.16 -5.02 105.19 104.97 2kkx n GLY 184 Ca -0.15 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2kkx n GLY 184 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kkx s ASN 185 N -2.52 -0.24 -0.18 1.61 0.02 -1.01 -4.97 114.94 107.65 2kkx s ASN 185 Ca 0.00 0.37 -0.29 0.00 -1.02 0.00 0.00 52.86 51.91 2kkx s ASN 185 Cb 0.00 0.48 -0.03 0.00 0.02 0.00 0.00 41.25 41.71 2kkx s ASN 185 CO 0.00 -0.22 1.65 -0.36 0.02 0.00 0.00 177.10 178.19 2kkx s PHE 186 N -0.40 2.04 0.48 2.20 0.40 -1.26 -1.13 117.98 120.31 2kkx s PHE 186 Ca -0.05 0.46 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 2kkx s PHE 186 Cb -0.03 -3.96 -0.02 0.00 0.51 0.00 0.00 43.02 39.52 2kkx s PHE 186 CO 0.02 -3.20 0.04 0.96 0.70 0.00 0.00 175.22 173.74 2kkx s ILE 187 N 5.04 0.99 0.46 0.64 -4.36 -0.11 -1.01 121.20 122.85 2kkx s ILE 187 Ca 0.73 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 59.00 2kkx s ILE 187 Cb -0.27 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.17 2kkx s ILE 187 CO 0.29 0.00 0.86 -0.63 0.24 0.00 0.00 174.94 175.70 2kkx s ILE 188 N -2.97 4.71 0.78 8.37 -1.09 -1.24 -1.12 121.20 128.64 2kkx s ILE 188 Ca 0.10 0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 59.21 2kkx s ILE 188 Cb 0.02 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 2kkx s ILE 188 CO 0.06 -0.65 1.11 -0.54 -1.23 0.00 0.00 174.94 173.69 2kkx s LYS 189 N -4.10 2.10 0.00 2.79 1.02 -0.59 -4.77 119.74 116.18 2kkx s LYS 189 Ca 0.54 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.79 2kkx s LYS 189 Cb -0.10 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 2kkx s LYS 189 CO 0.34 -1.77 0.00 0.41 -0.92 0.00 0.00 175.35 173.41 2kkx n GLY 190 N -0.87 -0.88 0.00 -3.33 0.00 -1.26 -5.06 105.19 93.79 2kkx n GLY 190 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31