#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 0.22 -0.28 1.43 7.50 -1.98 -3.41 115.11 118.59 2kkx h GLN 91 Ca 0.00 -0.36 0.06 0.00 0.50 0.00 0.00 58.65 58.85 2kkx h GLN 91 Cb 0.00 0.13 -0.08 0.00 0.05 0.00 0.00 27.48 27.58 2kkx h GLN 91 CO 0.00 1.16 -0.36 1.05 -1.50 0.00 0.00 178.83 179.18 2kkx h GLU 92 N 0.07 -0.34 -0.29 1.46 4.11 -1.99 0.20 114.58 117.80 2kkx h GLU 92 Ca -0.10 0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 2kkx h GLU 92 Cb 1.89 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 2kkx h GLU 92 CO 0.18 -0.22 -0.17 1.03 0.07 0.00 0.00 179.01 179.90 2kkx h SER 93 N -0.35 0.51 -0.19 3.06 0.87 -2.01 -2.46 113.55 112.98 2kkx h SER 93 Ca 0.13 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 2kkx h SER 93 Cb 0.56 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kkx h SER 93 CO -0.47 0.70 -0.18 0.40 -0.53 0.00 0.00 176.83 176.75 2kkx h ILE 94 N 0.47 1.33 -0.64 2.23 2.04 -1.52 -2.59 117.51 118.83 2kkx h ILE 94 Ca 0.08 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.65 2kkx h ILE 94 Cb 0.56 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 2kkx h ILE 94 CO 0.04 0.40 0.38 1.56 0.00 0.00 0.00 178.15 180.53 2kkx h GLN 95 N 0.13 0.70 -0.51 2.37 1.08 -0.73 0.97 115.11 119.12 2kkx h GLN 95 Ca 0.03 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2kkx h GLN 95 Cb 0.71 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2kkx h GLN 95 CO 0.04 0.46 0.29 -0.91 -0.95 0.00 0.00 178.83 177.77 2kkx h ASN 96 N 0.72 0.45 -0.04 1.46 2.35 -1.46 -2.43 115.58 116.62 2kkx h ASN 96 Ca 0.27 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2kkx h ASN 96 Cb 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2kkx h ASN 96 CO -0.13 0.31 -0.23 0.11 -1.65 0.00 0.00 177.43 175.84 2kkx h LYS 97 N 0.57 0.44 -0.44 0.81 6.56 -0.85 -2.11 116.57 121.54 2kkx h LYS 97 Ca 0.22 -0.15 -0.06 0.00 -1.06 0.00 0.00 60.65 59.59 2kkx h LYS 97 Cb 0.07 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 2kkx h LYS 97 CO -0.12 0.64 0.03 0.82 -2.06 0.00 0.00 179.45 178.76 2kkx h ILE 98 N 0.39 1.26 -0.27 1.86 2.04 -0.64 0.89 117.51 123.04 2kkx h ILE 98 Ca 0.06 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 2kkx h ILE 98 Cb 0.62 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2kkx h ILE 98 CO 0.04 0.34 -0.10 -1.28 0.00 0.00 0.00 178.15 177.15 2kkx h SER 99 N 0.61 0.43 0.06 1.72 0.87 -1.23 -2.44 113.55 113.57 2kkx h SER 99 Ca 0.13 -0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 2kkx h SER 99 Cb 0.45 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2kkx h SER 99 CO 0.02 0.57 -0.63 1.56 -0.53 0.00 0.00 176.83 177.82 2kkx h GLN 100 N 0.42 0.32 0.00 2.24 1.08 -1.18 -3.37 115.11 114.62 2kkx h GLN 100 Ca 0.08 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 56.84 2kkx h GLN 100 Cb 0.44 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2kkx h GLN 100 CO 0.02 1.14 -0.08 0.00 -0.95 0.00 0.00 178.83 178.96 2kkx s LYS 102 N -3.34 0.84 0.16 0.00 -2.85 -0.92 -3.77 119.74 109.85 2kkx s LYS 102 Ca 0.04 0.55 -0.22 0.00 -1.00 0.00 0.00 55.97 55.35 2kkx s LYS 102 Cb 0.07 -1.78 0.06 0.00 -2.06 0.00 0.00 37.83 34.12 2kkx s LYS 102 CO 0.64 -2.46 0.57 -0.59 0.10 0.00 0.00 175.35 173.61 2kkx s PHE 103 N -3.03 -0.45 -0.63 1.78 -0.71 -0.56 -4.89 117.98 109.49 2kkx s PHE 103 Ca 0.64 0.21 -0.26 0.00 -1.04 0.00 0.00 56.93 56.48 2kkx s PHE 103 Cb -0.17 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2kkx s PHE 103 CO 0.56 -0.84 1.91 -1.12 -1.34 0.00 0.00 175.22 174.39 2kkx s SER 104 N -2.77 5.19 -0.09 1.98 0.01 -1.26 -1.83 113.70 114.94 2kkx s SER 104 Ca 0.02 0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.29 2kkx s SER 104 Cb -0.01 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2kkx s SER 104 CO -0.12 -2.45 1.54 -0.69 0.41 0.00 0.00 173.24 171.94 2kkx s VAL 105 N 9.41 3.78 -0.29 3.43 1.01 0.45 -4.92 120.40 133.27 2kkx s VAL 105 Ca 0.70 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 2kkx s VAL 105 Cb -0.12 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.74 2kkx s VAL 105 CO 0.19 -0.09 0.09 0.00 0.00 0.00 0.00 175.10 175.29 2kkx h PRO 107 N 8.17 0.00 -0.14 0.00 0.13 -1.94 -0.77 132.00 137.45 2kkx h PRO 107 Ca -0.15 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.77 2kkx h PRO 107 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kkx h PRO 107 CO 0.44 0.00 -0.73 1.05 -0.23 0.00 0.00 178.00 178.53 2kkx h GLU 108 N 0.00 0.66 0.00 0.86 4.11 -1.95 -2.18 114.58 116.08 2kkx h GLU 108 Ca 0.12 -0.52 -0.05 0.00 0.07 0.00 0.00 59.36 58.97 2kkx h GLU 108 Cb 0.99 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2kkx h GLU 108 CO -0.00 1.14 -1.44 0.54 0.07 0.00 0.00 179.01 179.32 2kkx n ARG 109 N -3.91 0.63 0.13 1.06 1.74 -0.58 -3.97 116.66 111.76 2kkx n ARG 109 Ca -0.06 0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.16 2kkx n ARG 109 Cb 0.72 -1.72 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 2kkx n ARG 109 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kkx h LEU 110 N 0.00 0.00 1.84 0.55 3.38 -1.28 -3.48 115.31 116.32 2kkx h LEU 110 Ca -0.06 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.49 2kkx h LEU 110 Cb 1.19 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 2kkx h LEU 110 CO 0.01 0.09 -0.45 0.00 0.09 0.00 0.00 178.44 178.18 2kkx n GLN 111 N -2.83 -1.56 -4.58 1.13 3.00 -0.82 -5.00 117.38 106.71 2kkx n GLN 111 Ca -0.00 1.13 -0.34 0.00 -0.01 0.00 0.00 57.00 57.78 2kkx n GLN 111 Cb 0.59 -5.63 -0.12 0.00 0.00 0.00 0.00 30.24 25.08 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kkx s PRO 113 N -0.49 0.93 0.20 0.00 0.04 -1.26 -4.62 135.00 129.80 2kkx s PRO 113 Ca 0.07 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 2kkx s PRO 113 Cb -0.12 -1.74 0.23 0.00 0.04 0.00 0.00 34.50 32.91 2kkx s PRO 113 CO 0.02 -2.58 1.74 -0.07 0.04 0.00 0.00 177.00 176.15 2kkx h LEU 114 N -1.81 0.18 -0.88 -3.56 3.38 -1.96 -1.51 115.31 109.15 2kkx h LEU 114 Ca -0.48 0.07 0.10 0.00 0.09 0.00 0.00 57.88 57.67 2kkx h LEU 114 Cb 1.28 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.01 2kkx h LEU 114 CO 0.47 0.12 0.52 1.05 0.09 0.00 0.00 178.44 180.69 2kkx h GLU 115 N 0.37 0.83 0.00 1.13 4.11 -1.97 -0.74 114.58 118.31 2kkx h GLU 115 Ca 0.28 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.61 2kkx h GLU 115 Cb 0.33 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kkx h GLU 115 CO -0.29 0.55 -0.22 0.00 0.07 0.00 0.00 179.01 179.12 2kkx h ALA 116 N 1.48 1.44 -0.05 1.06 0.00 -1.63 -2.74 119.26 118.82 2kkx h ALA 116 Ca 0.42 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2kkx h ALA 116 Cb 0.38 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2kkx h ALA 116 CO -0.25 0.27 -0.60 0.44 0.00 0.00 0.00 179.25 179.12 2kkx n ILE 117 N -3.99 1.91 -2.66 0.00 -5.35 -0.98 -4.91 119.36 103.39 2kkx n ILE 117 Ca -0.02 -2.99 -0.41 0.00 -0.27 0.00 0.00 62.75 59.06 2kkx n ILE 117 Cb 0.30 -0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.05 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 -2.82 4.67 -0.24 6.28 0.74 -0.32 -4.21 119.66 123.76 2kkx s GLN 118 Ca 0.38 1.53 -0.29 0.00 0.05 0.00 0.00 55.36 57.03 2kkx s GLN 118 Cb 0.37 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 2kkx s GLN 118 CO -0.08 0.17 1.52 0.00 -0.55 0.00 0.00 175.29 176.36 2kkx n PRO 120 N 7.56 0.35 -0.06 0.00 -0.04 -1.26 -0.99 135.00 140.55 2kkx n PRO 120 Ca 0.18 0.08 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2kkx n PRO 120 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.21 0.00 0.52 2.04 -1.92 -3.39 117.51 115.97 2kkx h ILE 121 Ca 0.00 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.94 2kkx h ILE 121 Cb 0.16 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2kkx h ILE 121 CO 0.00 0.41 -0.83 0.35 0.00 0.00 0.00 178.15 178.08 2kkx n THR 122 N -4.66 0.03 -3.22 -0.27 -2.24 -1.18 -4.98 114.28 97.76 2kkx n THR 122 Ca -0.07 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 2kkx n THR 122 Cb 0.33 0.55 0.05 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.60 -2.94 -3.74 3.22 7.99 -0.16 -5.01 117.00 114.76 2kkx n LEU 123 Ca 0.04 -0.38 -0.14 0.00 -0.01 0.00 0.00 56.01 55.53 2kkx n LEU 123 Cb 0.36 -2.94 -0.09 0.00 -0.11 0.00 0.00 43.42 40.64 2kkx n LEU 123 CO 0.39 0.39 0.06 -1.83 -1.51 0.00 0.00 177.39 174.89 2kkx s GLU 124 N -5.91 0.67 -0.16 3.23 -1.05 -1.17 -4.98 118.70 109.34 2kkx s GLU 124 Ca 0.40 -0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.85 2kkx s GLU 124 Cb -0.18 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2kkx s GLU 124 CO 0.50 -0.18 1.44 -1.14 0.95 0.00 0.00 175.26 176.82 2kkx s GLN 125 N -1.15 4.11 0.62 -4.83 -0.44 -1.26 -1.06 119.66 115.65 2kkx s GLN 125 Ca -0.12 1.77 -0.10 0.00 -2.50 0.00 0.00 55.36 54.41 2kkx s GLN 125 Cb -0.05 -3.88 -0.02 0.00 -1.64 0.00 0.00 33.01 27.42 2kkx s GLN 125 CO 0.04 -0.89 1.00 -1.25 0.50 0.00 0.00 175.29 174.70 2kkx s PRO 126 N 3.92 3.29 0.10 1.67 0.04 -1.26 -4.91 135.00 137.85 2kkx s PRO 126 Ca 0.63 0.50 0.24 0.00 0.04 0.00 0.00 61.00 62.42 2kkx s PRO 126 Cb -0.25 -2.12 0.41 0.00 0.04 0.00 0.00 34.50 32.58 2kkx s PRO 126 CO 0.22 -0.67 1.37 -0.85 0.04 0.00 0.00 177.00 177.11 2kkx n GLU 127 N -2.74 0.25 -3.71 4.56 0.28 -1.26 -4.64 120.64 113.37 2kkx n GLU 127 Ca 0.05 0.08 -0.12 0.00 -0.16 0.00 0.00 57.16 57.02 2kkx n GLU 127 Cb 0.55 -1.66 -0.10 0.00 1.43 0.00 0.00 31.44 31.66 2kkx n GLU 127 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2kkx s LYS 128 N -3.14 0.44 0.07 3.44 0.00 -1.26 -0.41 119.74 118.88 2kkx s LYS 128 Ca 0.07 0.71 -0.27 0.00 0.00 0.00 0.00 55.97 56.48 2kkx s LYS 128 Cb 0.14 0.09 0.08 0.00 0.00 0.00 0.00 37.83 38.14 2kkx s LYS 128 CO 0.71 -0.12 0.94 0.20 0.00 0.00 0.00 175.35 177.08 2kkx s GLY 129 N 0.91 -0.34 0.25 0.59 0.00 -0.76 -2.82 107.32 105.15 2kkx s GLY 129 Ca -0.06 0.55 0.10 0.00 0.00 0.00 0.00 44.72 45.32 2kkx s GLY 129 CO -0.07 0.16 -0.05 -0.26 0.00 0.00 0.00 173.10 172.87 2kkx s ILE 130 N -3.18 3.24 -0.25 0.90 -4.36 0.36 -1.50 121.20 116.41 2kkx s ILE 130 Ca 0.09 -1.95 -0.11 0.00 -0.26 0.00 0.00 60.65 58.43 2kkx s ILE 130 Cb -0.01 -2.71 -0.05 0.00 1.25 0.00 0.00 42.46 40.94 2kkx s ILE 130 CO -0.03 -0.33 0.17 -0.36 0.24 0.00 0.00 174.94 174.63 2kkx s PHE 131 N -2.24 3.29 -0.19 1.37 0.08 -1.21 -1.12 117.98 117.96 2kkx s PHE 131 Ca 0.30 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.55 2kkx s PHE 131 Cb -0.07 -2.30 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2kkx s PHE 131 CO 0.18 0.00 -0.18 0.08 -0.10 0.00 0.00 175.22 175.21 2kkx s VAL 132 N 1.25 2.25 -0.31 -0.44 1.01 -0.43 -0.78 120.40 122.95 2kkx s VAL 132 Ca 0.07 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2kkx s VAL 132 Cb -0.14 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 2kkx s VAL 132 CO 0.06 0.52 1.36 -1.59 0.00 0.00 0.00 175.10 175.46 2kkx s LYS 133 N 1.32 3.84 -1.05 2.72 -2.85 0.61 -1.60 119.74 122.73 2kkx s LYS 133 Ca 0.05 1.25 -0.20 0.00 -1.00 0.00 0.00 55.97 56.07 2kkx s LYS 133 Cb -0.13 -3.93 -0.08 0.00 -2.06 0.00 0.00 37.83 31.63 2kkx s LYS 133 CO -0.12 -1.22 1.97 0.09 0.10 0.00 0.00 175.35 176.18 2kkx n ASN 134 N 7.95 3.17 0.16 0.03 3.02 0.10 -4.78 115.26 124.90 2kkx n ASN 134 Ca 0.16 -2.74 -0.13 0.00 -0.03 0.00 0.00 54.58 51.84 2kkx n ASN 134 Cb 0.47 -1.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.14 2kkx n ASN 134 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2kkx h SER 135 N 7.80 -0.37 -0.54 6.41 0.87 -1.90 0.17 113.55 125.99 2kkx h SER 135 Ca 0.42 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2kkx h SER 135 Cb 0.73 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2kkx h SER 135 CO 1.75 0.03 0.36 -0.78 -0.53 0.00 0.00 176.83 177.66 2kkx h ASP 136 N -0.85 0.48 0.08 6.23 3.58 -2.00 -2.04 116.42 121.91 2kkx h ASP 136 Ca -0.04 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kkx h ASP 136 Cb 0.52 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kkx h ASP 136 CO 0.07 0.32 -0.04 1.23 -2.88 0.00 0.00 179.24 177.95 2kkx h GLY 137 N 0.55 -0.11 0.00 -0.78 0.00 -1.97 -3.45 103.07 97.31 2kkx h GLY 137 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2kkx h GLY 137 CO -0.06 -0.04 0.00 -1.26 0.00 0.00 0.00 176.54 175.18 2kkx n SER 138 N -4.18 0.00 -3.51 0.19 2.88 -1.09 -5.04 113.62 102.87 2kkx n SER 138 Ca -0.01 -1.00 -0.19 0.00 -1.33 0.00 0.00 58.87 56.33 2kkx n SER 138 Cb 0.04 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.58 2kkx n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kkx n ASP 139 N 0.00 -3.14 -4.31 -3.46 2.03 0.58 -4.98 116.55 103.28 2kkx n ASP 139 Ca 0.00 -0.62 -0.34 0.00 0.52 0.00 0.00 54.79 54.35 2kkx n ASP 139 Cb 0.35 -4.99 -0.14 0.00 -0.72 0.00 0.00 41.12 35.62 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 -3.37 3.04 -0.07 5.18 1.01 -1.08 -4.78 120.40 120.32 2kkx s VAL 140 Ca 0.17 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 2kkx s VAL 140 Cb -0.07 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2kkx s VAL 140 CO 0.74 0.49 0.81 0.00 0.00 0.00 0.00 175.10 177.13 2kkx s THR 142 N 1.14 1.83 -0.52 0.00 2.01 -0.63 -4.48 115.64 114.99 2kkx s THR 142 Ca 0.42 -1.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 2kkx s THR 142 Cb -0.18 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.81 2kkx s THR 142 CO 0.20 0.33 0.83 -0.22 -0.69 0.00 0.00 174.62 175.07 2kkx s LEU 143 N -1.02 4.37 0.07 4.42 2.96 -1.26 -1.32 118.68 126.91 2kkx s LEU 143 Ca 0.09 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2kkx s LEU 143 Cb -0.09 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2kkx s LEU 143 CO 0.01 -1.08 0.23 -0.36 -1.32 0.00 0.00 176.35 173.83 2kkx s PHE 144 N 3.47 3.51 0.29 5.38 0.40 -0.27 -3.80 117.98 126.97 2kkx s PHE 144 Ca 0.26 0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 56.59 2kkx s PHE 144 Cb -0.14 -1.79 -0.10 0.00 0.51 0.00 0.00 43.02 41.49 2kkx s PHE 144 CO 0.18 0.57 1.38 0.34 0.70 0.00 0.00 175.22 178.39 2kkx s ASP 145 N -2.49 6.68 0.11 1.36 -1.08 -1.26 -0.49 116.67 119.50 2kkx s ASP 145 Ca 0.36 2.70 -0.25 0.00 -0.52 0.00 0.00 52.55 54.83 2kkx s ASP 145 Cb -0.13 -2.64 -0.09 0.00 -1.46 0.00 0.00 42.92 38.61 2kkx s ASP 145 CO 0.27 -0.64 1.67 0.00 0.52 0.00 0.00 175.17 176.99 2kkx h ALA 146 N 4.17 -0.28 0.00 3.66 0.00 -1.81 -1.28 119.26 123.71 2kkx h ALA 146 Ca -0.48 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2kkx h ALA 146 Cb 1.22 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2kkx h ALA 146 CO 0.71 -0.70 -0.61 0.00 0.00 0.00 0.00 179.25 178.66 2kkx h ALA 147 N 0.51 0.74 -0.01 0.00 0.00 -1.93 -1.71 119.26 116.86 2kkx h ALA 147 Ca 0.03 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 2kkx h ALA 147 Cb 0.37 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kkx h ALA 147 CO -0.11 0.76 -0.94 0.00 0.00 0.00 0.00 179.25 178.96 2kkx h ALA 148 N 1.39 0.34 -0.15 0.00 0.00 -1.92 0.01 119.26 118.93 2kkx h ALA 148 Ca -0.01 -0.69 -0.21 0.00 0.00 0.00 0.00 54.91 54.00 2kkx h ALA 148 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kkx h ALA 148 CO 0.08 0.78 -0.73 0.35 0.00 0.00 0.00 179.25 179.73 2kkx h PHE 149 N 0.28 0.92 -0.14 0.00 3.57 -1.25 -2.74 116.94 117.58 2kkx h PHE 149 Ca -0.08 -0.40 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 2kkx h PHE 149 Cb 1.57 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2kkx h PHE 149 CO 0.07 1.20 0.01 1.03 -2.23 0.00 0.00 178.31 178.39 2kkx h SER 150 N 0.48 0.17 0.36 0.41 0.87 -1.24 -1.21 113.55 113.40 2kkx h SER 150 Ca -0.04 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2kkx h SER 150 Cb 1.34 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2kkx h SER 150 CO 0.15 0.20 -0.18 -0.09 -0.53 0.00 0.00 176.83 176.38 2kkx h ARG 151 N 0.19 -0.47 -0.48 2.24 9.65 -0.86 -1.02 114.38 123.63 2kkx h ARG 151 Ca 0.05 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 2kkx h ARG 151 Cb 0.12 0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 2kkx h ARG 151 CO 0.00 -0.22 0.15 -0.07 2.80 0.00 0.00 179.97 182.62 2kkx h LEU 152 N -0.65 0.11 0.05 3.80 3.38 -1.12 -0.28 115.31 120.60 2kkx h LEU 152 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kkx h LEU 152 Cb 0.47 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kkx h LEU 152 CO 0.08 0.09 -0.02 0.58 0.09 0.00 0.00 178.44 179.26 2kkx h VAL 153 N 0.30 0.98 -0.29 1.22 2.07 -1.28 0.12 116.25 119.37 2kkx h VAL 153 Ca 0.24 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2kkx h VAL 153 Cb 0.27 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2kkx h VAL 153 CO -0.27 0.02 0.19 1.23 0.02 0.00 0.00 177.57 178.77 2kkx h GLY 154 N -0.10 0.40 1.93 2.17 0.00 -0.58 -1.43 103.07 105.46 2kkx h GLY 154 Ca -0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 2kkx h GLY 154 CO 0.01 0.15 -0.82 0.83 0.00 0.00 0.00 176.54 176.71 2kkx h GLU 155 N 0.39 0.07 0.00 4.80 4.39 -0.87 -3.48 114.58 119.88 2kkx h GLU 155 Ca 0.11 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kkx h GLU 155 Cb -0.04 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kkx h GLU 155 CO -0.02 0.84 0.00 0.41 -1.16 0.00 0.00 179.01 179.08 2kkx n GLY 156 N 0.78 0.96 3.76 -3.84 0.00 -0.54 -5.10 105.19 101.22 2kkx n GLY 156 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 4.56 0.00 0.99 1.43 0.33 -5.00 118.68 120.99 2kkx s LEU 157 Ca 0.00 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2kkx s LEU 157 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2kkx s LEU 157 CO 0.00 -0.13 0.00 -0.81 0.23 0.00 0.00 176.35 175.64 2kkx n PRO 158 N 1.28 0.34 -1.82 1.29 -0.04 -1.26 -4.12 135.00 130.67 2kkx n PRO 158 Ca -0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 2kkx n PRO 158 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.46 2.93 0.17 0.54 5.65 -0.33 -4.88 115.29 118.92 2kkx s HIS 159 Ca 0.00 0.55 0.23 0.00 0.25 0.00 0.00 55.06 56.08 2kkx s HIS 159 Cb 0.00 -4.04 0.90 0.00 -1.18 0.00 0.00 32.58 28.26 2kkx s HIS 159 CO 0.00 -3.82 1.82 -1.00 -0.65 0.00 0.00 174.74 171.09 2kkx h PRO 160 N 6.33 0.00 0.00 2.88 0.13 -1.94 -0.31 132.00 139.09 2kkx h PRO 160 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2kkx h PRO 160 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kkx h PRO 160 CO 0.90 0.26 -0.29 -0.07 -0.23 0.00 0.00 178.00 178.57 2kkx h LEU 161 N 0.00 0.00 -0.33 1.56 3.38 -1.94 -3.42 115.31 114.56 2kkx h LEU 161 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kkx h LEU 161 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2kkx h LEU 161 CO 0.03 0.68 -0.46 1.07 0.09 0.00 0.00 178.44 179.85 2kkx n THR 162 N -4.68 0.00 -1.39 0.22 5.66 -1.25 -4.99 114.28 107.85 2kkx n THR 162 Ca -0.05 -0.27 -0.14 0.00 -3.05 0.00 0.00 64.05 60.54 2kkx n THR 162 Cb 0.17 1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.96 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 -0.85 -1.07 -2.34 1.09 5.12 -0.13 -4.99 116.66 113.50 2kkx n ARG 163 Ca 0.04 0.96 -0.38 0.00 -1.93 0.00 0.00 57.85 56.54 2kkx n ARG 163 Cb 0.23 -5.09 -0.02 0.00 -1.16 0.00 0.00 32.46 26.42 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 -3.10 4.07 -0.11 5.56 0.41 -1.26 -4.47 118.70 119.80 2kkx s GLU 164 Ca 0.00 1.78 -0.29 0.00 -0.41 0.00 0.00 54.97 56.05 2kkx s GLU 164 Cb 0.00 -2.65 -0.06 0.00 -1.78 0.00 0.00 34.13 29.64 2kkx s GLU 164 CO 0.00 -0.29 1.85 -1.25 -0.49 0.00 0.00 175.26 175.08 2kkx s PRO 165 N -2.33 3.84 0.25 0.39 0.04 -1.26 -1.19 135.00 134.75 2kkx s PRO 165 Ca 0.57 2.13 -0.31 0.00 0.04 0.00 0.00 61.00 63.43 2kkx s PRO 165 Cb -0.29 -4.13 -0.11 0.00 0.04 0.00 0.00 34.50 30.00 2kkx s PRO 165 CO 0.36 -1.27 1.62 0.42 0.04 0.00 0.00 177.00 178.18 2kkx s ILE 166 N 5.37 2.16 0.16 0.56 1.01 -1.26 -4.92 121.20 124.27 2kkx s ILE 166 Ca 0.83 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.52 2kkx s ILE 166 Cb -0.34 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 2kkx s ILE 166 CO 0.34 0.02 0.26 0.28 0.00 0.00 0.00 174.94 175.84 2kkx s THR 167 N 0.50 0.07 0.39 2.92 -1.32 -1.26 -5.03 115.64 111.91 2kkx s THR 167 Ca 0.67 -1.39 0.27 0.00 -1.21 0.00 0.00 61.69 60.03 2kkx s THR 167 Cb -0.48 -1.81 0.29 0.00 -1.51 0.00 0.00 72.50 69.00 2kkx s THR 167 CO 0.41 -0.33 2.05 0.00 -2.21 0.00 0.00 174.62 174.53 2kkx h ALA 168 N 2.58 1.25 0.00 11.08 0.00 -1.92 -2.98 119.26 129.27 2kkx h ALA 168 Ca -0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2kkx h ALA 168 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kkx h ALA 168 CO 0.49 0.16 -0.28 1.03 0.00 0.00 0.00 179.25 180.65 2kkx h SER 169 N 0.00 0.00 -0.01 0.00 0.87 -1.98 -3.03 113.55 109.40 2kkx h SER 169 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kkx h SER 169 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kkx h SER 169 CO 0.02 0.28 -0.59 2.30 -0.53 0.00 0.00 176.83 178.31 2kkx n ILE 170 N -3.64 0.00 -3.87 2.23 -5.35 -1.13 -4.93 119.36 102.67 2kkx n ILE 170 Ca -0.01 -0.21 -0.36 0.00 -0.27 0.00 0.00 62.75 61.90 2kkx n ILE 170 Cb 0.41 1.19 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 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 -2.54 5.35 0.24 7.28 2.07 -1.15 -0.28 121.20 132.18 2kkx s ILE 171 Ca 0.15 0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.56 2kkx s ILE 171 Cb 0.17 -3.37 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 2kkx s ILE 171 CO 0.63 0.55 0.14 0.68 -1.91 0.00 0.00 174.94 175.03 2kkx s VAL 172 N -0.48 0.18 0.45 4.00 -7.23 0.04 -4.94 120.40 112.42 2kkx s VAL 172 Ca 0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2kkx s VAL 172 Cb -0.12 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 2kkx s VAL 172 CO 0.02 0.00 0.68 -0.54 -0.31 0.00 0.00 175.10 174.94 2kkx s LYS 173 N -4.01 3.09 0.32 4.82 1.02 -1.26 -3.32 119.74 120.40 2kkx s LYS 173 Ca 0.38 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2kkx s LYS 173 Cb 0.06 -2.55 0.55 0.00 -0.52 0.00 0.00 37.83 35.38 2kkx s LYS 173 CO 0.15 -0.27 1.80 1.25 -0.92 0.00 0.00 175.35 177.36 2kkx h HIS 174 N 0.39 0.42 0.00 3.18 -0.00 -1.87 -1.96 115.15 115.31 2kkx h HIS 174 Ca -0.46 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 59.83 2kkx h HIS 174 Cb 1.25 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2kkx h HIS 174 CO 0.46 0.56 -0.05 0.93 -0.00 0.00 0.00 177.93 179.83 2kkx h GLU 175 N 0.35 0.00 0.00 5.26 3.07 -1.95 -3.30 114.58 118.02 2kkx h GLU 175 Ca 0.06 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.72 2kkx h GLU 175 Cb 0.55 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2kkx h GLU 175 CO 0.04 0.02 -1.16 1.49 -1.40 0.00 0.00 179.01 178.00 2kkx h GLU 176 N 0.00 0.00 -6.19 2.33 4.81 -1.86 -3.45 114.58 110.21 2kkx h GLU 176 Ca -0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.61 2kkx h GLU 176 Cb 1.02 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.31 2kkx h GLU 176 CO 0.00 0.60 -0.59 0.00 -0.73 0.00 0.00 179.01 178.30 2kkx s ILE 178 N -1.51 0.57 0.17 0.00 -0.00 -0.22 -4.80 121.20 115.41 2kkx s ILE 178 Ca 0.30 -1.82 -0.31 0.00 -0.00 0.00 0.00 60.65 58.82 2kkx s ILE 178 Cb -0.11 -1.53 -0.10 0.00 -0.00 0.00 0.00 42.46 40.72 2kkx s ILE 178 CO 0.22 -0.85 1.55 -0.72 -0.00 0.00 0.00 174.94 175.14 2kkx s TYR 179 N -3.45 3.07 -0.12 1.37 1.13 -1.26 -1.40 117.35 116.68 2kkx s TYR 179 Ca 0.08 0.67 -0.04 0.00 -1.41 0.00 0.00 57.07 56.38 2kkx s TYR 179 Cb 0.04 -3.91 -0.03 0.00 -1.10 0.00 0.00 41.96 36.96 2kkx s TYR 179 CO -0.05 -3.32 0.02 0.34 -2.51 0.00 0.00 175.55 170.02 2kkx s ASP 180 N 1.09 5.32 -0.13 -0.18 -1.08 -0.63 -4.90 116.67 116.16 2kkx s ASP 180 Ca 0.69 0.10 -0.27 0.00 -0.52 0.00 0.00 52.55 52.55 2kkx s ASP 180 Cb -0.43 -1.69 -0.24 0.00 -1.46 0.00 0.00 42.92 39.10 2kkx s ASP 180 CO 0.32 0.29 0.77 -0.78 0.52 0.00 0.00 175.17 176.29 2kkx h ASP 181 N 5.82 -0.00 0.84 -0.34 3.58 -1.95 -0.48 116.42 123.88 2kkx h ASP 181 Ca -0.44 -0.88 -0.08 0.00 0.42 0.00 0.00 57.03 56.05 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 0.60 0.91 -0.40 0.00 -2.88 0.00 0.00 179.24 177.48 2kkx h THR 182 N -0.95 0.93 0.00 2.25 1.03 -1.96 -2.92 112.91 111.28 2kkx h THR 182 Ca -0.00 -1.58 -0.27 0.00 -0.01 0.00 0.00 66.41 64.55 2kkx h THR 182 Cb 0.89 1.96 -0.05 0.00 -1.07 0.00 0.00 68.15 69.87 2kkx h THR 182 CO 0.00 0.39 -1.82 0.54 -0.01 0.00 0.00 175.52 174.62 2kkx n ARG 183 N -3.55 0.64 -1.74 0.00 1.74 -1.26 -5.02 116.66 107.47 2kkx n ARG 183 Ca -0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2kkx n ARG 183 Cb 0.52 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2kkx n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kkx n GLY 184 N 1.56 0.46 3.56 -0.13 0.00 -0.25 -5.04 105.19 105.34 2kkx n GLY 184 Ca -0.19 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 2kkx n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kkx s ASN 185 N -2.94 -0.26 0.11 1.61 3.84 -0.82 -4.93 114.94 111.55 2kkx s ASN 185 Ca 0.00 -0.06 -0.31 0.00 0.21 0.00 0.00 52.86 52.71 2kkx s ASN 185 Cb 0.00 0.32 -0.10 0.00 -0.55 0.00 0.00 41.25 40.91 2kkx s ASN 185 CO 0.00 -0.53 1.86 -0.36 -2.79 0.00 0.00 177.10 175.28 2kkx s PHE 186 N -2.90 2.00 0.32 0.43 0.08 -1.26 -1.60 117.98 115.05 2kkx s PHE 186 Ca 0.08 -0.10 0.06 0.00 0.12 0.00 0.00 56.93 57.09 2kkx s PHE 186 Cb -0.01 -4.19 -0.03 0.00 -0.57 0.00 0.00 43.02 38.22 2kkx s PHE 186 CO -0.06 -5.00 0.25 0.96 -0.10 0.00 0.00 175.22 171.26 2kkx s ILE 187 N 3.01 0.05 0.38 0.64 -5.25 -0.49 -0.82 121.20 118.72 2kkx s ILE 187 Ca 0.82 -2.00 -0.24 0.00 -0.99 0.00 0.00 60.65 58.24 2kkx s ILE 187 Cb -0.46 -2.49 -0.09 0.00 2.95 0.00 0.00 42.46 42.37 2kkx s ILE 187 CO 0.37 0.00 1.01 -0.63 -1.79 0.00 0.00 174.94 173.90 2kkx s ILE 188 N -3.52 3.94 0.95 8.37 -1.09 -1.26 -1.06 121.20 127.53 2kkx s ILE 188 Ca 0.39 1.48 -0.11 0.00 -2.23 0.00 0.00 60.65 60.19 2kkx s ILE 188 Cb 0.03 -3.77 0.16 0.00 -1.58 0.00 0.00 42.46 37.31 2kkx s ILE 188 CO 0.25 0.01 1.11 -0.54 -1.23 0.00 0.00 174.94 174.54 2kkx s LYS 189 N -2.45 0.79 -1.11 2.79 1.02 -0.89 -4.85 119.74 115.03 2kkx s LYS 189 Ca 0.56 1.33 -0.04 0.00 0.02 0.00 0.00 55.97 57.84 2kkx s LYS 189 Cb -0.19 -1.72 0.28 0.00 -0.52 0.00 0.00 37.83 35.68 2kkx s LYS 189 CO 0.25 -2.72 1.68 0.41 -0.92 0.00 0.00 175.35 174.05 2kkx n GLY 190 N 0.09 5.36 3.10 -3.33 0.00 -1.26 -5.10 105.19 104.06 2kkx n GLY 190 Ca 0.10 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.59 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31