#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz h PRO 85 N 0.00 0.57 -1.64 3.17 0.13 -2.08 -3.45 132.00 128.70 2kkz h PRO 85 Ca 0.00 -0.18 0.05 0.00 -0.87 0.00 0.00 66.00 65.00 2kkz h PRO 85 Cb 0.00 -0.05 -0.24 0.00 0.13 0.00 0.00 31.00 30.84 2kkz h PRO 85 CO 0.00 0.70 0.45 0.00 -0.23 0.00 0.00 178.00 178.92 2kkz s ALA 86 N -4.71 -1.93 0.02 -0.56 0.00 -1.26 -5.19 121.76 108.13 2kkz s ALA 86 Ca -0.08 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2kkz s ALA 86 Cb 0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2kkz s ALA 86 CO 0.79 -0.28 -0.02 0.45 0.00 0.00 0.00 175.76 176.70 2kkz s SER 87 N -0.38 0.20 -0.29 0.00 0.15 -1.26 -4.93 113.70 107.19 2kkz s SER 87 Ca 0.00 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 2kkz s SER 87 Cb -0.03 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 2kkz s SER 87 CO -0.02 -0.22 0.17 -0.60 1.20 0.00 0.00 173.24 173.77 2kkz s ARG 88 N -1.09 3.67 -0.58 5.44 3.52 -0.72 -4.87 118.95 124.32 2kkz s ARG 88 Ca -0.12 -0.50 -0.20 0.00 -0.13 0.00 0.00 55.73 54.79 2kkz s ARG 88 Cb -0.07 -3.60 0.08 0.00 -1.56 0.00 0.00 34.95 29.80 2kkz s ARG 88 CO -0.01 -0.28 0.75 0.71 -0.81 0.00 0.00 175.30 175.66 2kkz s TYR 89 N 1.69 2.94 -0.36 5.12 2.02 -1.26 -0.43 117.35 127.07 2kkz s TYR 89 Ca 0.06 -0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 55.77 2kkz s TYR 89 Cb -0.16 -3.94 0.02 0.00 -0.40 0.00 0.00 41.96 37.48 2kkz s TYR 89 CO 0.08 -1.29 1.15 0.42 -1.57 0.00 0.00 175.55 174.34 2kkz s ILE 90 N 3.02 4.33 -1.06 2.71 -1.09 -0.21 -4.95 121.20 123.95 2kkz s ILE 90 Ca 0.16 1.49 -0.03 0.00 -2.23 0.00 0.00 60.65 60.04 2kkz s ILE 90 Cb -0.21 -4.40 0.31 0.00 -1.58 0.00 0.00 42.46 36.58 2kkz s ILE 90 CO 0.09 -0.62 1.57 0.35 -1.23 0.00 0.00 174.94 175.10 2kkz n THR 91 N 6.23 5.53 0.06 2.92 -2.24 -1.26 -2.69 114.28 122.82 2kkz n THR 91 Ca 0.13 -5.95 -0.13 0.00 -2.27 0.00 0.00 64.05 55.82 2kkz n THR 91 Cb 0.47 -1.93 -0.14 0.00 -2.10 0.00 0.00 70.33 66.63 2kkz n THR 91 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kkz h ASP 92 N 5.09 0.24 -3.19 3.42 3.58 -1.92 -3.43 116.42 120.20 2kkz h ASP 92 Ca 0.29 -0.31 -0.61 0.00 0.42 0.00 0.00 57.03 56.82 2kkz h ASP 92 Cb 0.54 -0.08 -0.11 0.00 1.72 0.00 0.00 39.33 41.40 2kkz h ASP 92 CO 1.29 1.25 -0.47 -0.32 -2.88 0.00 0.00 179.24 178.12 2kkz s MET 93 N -2.64 4.10 0.60 0.28 1.75 -1.17 -4.80 119.30 117.42 2kkz s MET 93 Ca -0.05 -0.16 -0.17 0.00 -1.25 0.00 0.00 55.69 54.06 2kkz s MET 93 Cb 0.08 -3.39 -0.03 0.00 2.84 0.00 0.00 34.83 34.33 2kkz s MET 93 CO 0.84 0.36 1.11 0.99 -0.65 0.00 0.00 175.02 177.67 2kkz s THR 94 N 0.19 3.32 0.38 10.11 2.01 -1.26 -4.78 115.64 125.62 2kkz s THR 94 Ca 0.10 0.69 0.05 0.00 0.31 0.00 0.00 61.69 62.84 2kkz s THR 94 Cb -0.11 -3.22 0.25 0.00 0.01 0.00 0.00 72.50 69.43 2kkz s THR 94 CO -0.00 -0.31 2.03 0.40 -0.69 0.00 0.00 174.62 176.04 2kkz h ILE 95 N 0.53 1.13 -0.91 1.82 5.03 -1.98 -0.34 117.51 122.80 2kkz h ILE 95 Ca -0.48 -0.29 0.11 0.00 -0.12 0.00 0.00 64.86 64.09 2kkz h ILE 95 Cb 1.25 0.46 -0.08 0.00 -3.03 0.00 0.00 36.82 35.42 2kkz h ILE 95 CO 0.56 0.14 0.54 -0.33 -0.68 0.00 0.00 178.15 178.37 2kkz h GLU 96 N 0.64 0.83 0.20 2.37 5.08 -1.96 -1.34 114.58 120.41 2kkz h GLU 96 Ca 0.17 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.20 2kkz h GLU 96 Cb -0.03 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 29.06 2kkz h GLU 96 CO -0.03 0.55 -1.24 0.93 -1.00 0.00 0.00 179.01 178.21 2kkz h GLU 97 N 0.85 0.43 -0.39 2.33 5.08 -1.66 -3.11 114.58 118.12 2kkz h GLU 97 Ca 0.45 -0.73 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2kkz h GLU 97 Cb 0.47 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2kkz h GLU 97 CO -0.27 1.35 0.21 1.25 -1.00 0.00 0.00 179.01 180.55 2kkz h LEU 98 N -0.08 0.32 -3.51 1.33 6.46 -0.88 -2.63 115.31 116.32 2kkz h LEU 98 Ca -0.22 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2kkz h LEU 98 Cb 1.95 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 2kkz h LEU 98 CO 0.21 0.24 0.00 -0.24 -0.62 0.00 0.00 178.44 178.03 2kkz n SER 99 N -4.90 5.62 -4.70 1.25 2.88 -0.52 -4.93 113.62 108.32 2kkz n SER 99 Ca 0.01 -2.87 -0.41 0.00 -1.33 0.00 0.00 58.87 54.27 2kkz n SER 99 Cb 0.08 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 62.82 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kkz s ARG 100 N -2.65 4.42 0.19 -1.46 3.52 -0.99 -5.03 118.95 116.95 2kkz s ARG 100 Ca 0.54 1.02 -0.09 0.00 -0.13 0.00 0.00 55.73 57.07 2kkz s ARG 100 Cb 0.41 -3.49 -0.07 0.00 -1.56 0.00 0.00 34.95 30.24 2kkz s ARG 100 CO 0.17 -0.07 0.51 -0.51 -0.81 0.00 0.00 175.30 174.59 2kkz s ASP 101 N 0.95 6.63 0.19 -2.12 1.01 -1.26 -5.03 116.67 117.03 2kkz s ASP 101 Ca 0.40 0.87 -0.22 0.00 0.71 0.00 0.00 52.55 54.31 2kkz s ASP 101 Cb -0.18 -2.21 0.06 0.00 1.01 0.00 0.00 42.92 41.60 2kkz s ASP 101 CO 0.18 -0.01 0.62 -1.66 0.21 0.00 0.00 175.17 174.51 2kkz s TRP 102 N -1.72 -0.43 0.14 4.23 1.48 -1.26 -5.09 118.94 116.30 2kkz s TRP 102 Ca 0.44 0.15 0.08 0.00 -1.06 0.00 0.00 56.10 55.71 2kkz s TRP 102 Cb -0.12 0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 32.73 2kkz s TRP 102 CO 0.21 -0.94 -0.09 -0.59 -4.06 0.00 0.00 176.95 171.49 2kkz s PHE 103 N -3.80 2.70 -0.23 1.66 -0.71 -1.26 -5.13 117.98 111.22 2kkz s PHE 103 Ca 0.04 -0.18 -0.08 0.00 -1.04 0.00 0.00 56.93 55.67 2kkz s PHE 103 Cb -0.02 -1.36 -0.03 0.00 -1.21 0.00 0.00 43.02 40.39 2kkz s PHE 103 CO -0.08 0.47 0.08 -1.64 -1.34 0.00 0.00 175.22 172.71 2kkz s MET 104 N -2.56 3.78 0.07 1.99 -1.94 -1.26 -4.97 119.30 114.42 2kkz s MET 104 Ca 0.23 -0.42 -0.14 0.00 -1.71 0.00 0.00 55.69 53.65 2kkz s MET 104 Cb -0.10 -3.32 -0.24 0.00 2.01 0.00 0.00 34.83 33.18 2kkz s MET 104 CO 0.15 -0.04 1.18 1.25 -0.01 0.00 0.00 175.02 177.55 2kkz h LEU 105 N 7.76 0.89 -6.76 -0.03 5.85 -1.98 -3.37 115.31 117.67 2kkz h LEU 105 Ca -0.37 -0.74 -0.61 0.00 0.84 0.00 0.00 57.88 57.00 2kkz h LEU 105 Cb 1.18 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 41.53 2kkz h LEU 105 CO 0.61 1.52 -0.77 -0.04 -0.34 0.00 0.00 178.44 179.43 2kkz s MET 106 N -3.29 1.67 -0.25 1.25 -1.94 -1.26 -4.96 119.30 110.52 2kkz s MET 106 Ca -0.10 -2.68 -0.29 0.00 -1.71 0.00 0.00 55.69 50.92 2kkz s MET 106 Cb 0.07 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 2kkz s MET 106 CO 0.92 -1.32 1.69 -1.25 -0.01 0.00 0.00 175.02 175.05 2kkz s PRO 107 N -0.62 3.65 -0.49 2.03 0.04 -1.26 -1.63 135.00 136.73 2kkz s PRO 107 Ca 0.28 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 2kkz s PRO 107 Cb -0.03 -4.09 0.09 0.00 0.04 0.00 0.00 34.50 30.51 2kkz s PRO 107 CO -0.16 -1.47 0.42 0.21 0.04 0.00 0.00 177.00 176.04 2kkz s LYS 108 N 4.99 2.96 -0.59 4.56 2.20 -0.16 -4.99 119.74 128.72 2kkz s LYS 108 Ca 0.75 -1.47 -0.24 0.00 -0.36 0.00 0.00 55.97 54.65 2kkz s LYS 108 Cb -0.25 -4.16 0.05 0.00 -1.51 0.00 0.00 37.83 31.96 2kkz s LYS 108 CO 0.31 -1.12 0.98 -1.14 -0.36 0.00 0.00 175.35 174.03 2kkz s GLN 109 N 1.62 3.28 -0.02 4.03 -0.44 -1.26 -2.78 119.66 124.08 2kkz s GLN 109 Ca 0.04 -0.37 0.05 0.00 -2.50 0.00 0.00 55.36 52.57 2kkz s GLN 109 Cb -0.26 -4.10 -0.03 0.00 -1.64 0.00 0.00 33.01 26.98 2kkz s GLN 109 CO 0.05 -1.62 -0.14 0.21 0.50 0.00 0.00 175.29 174.29 2kkz s LYS 110 N 4.15 2.39 -0.10 1.67 2.47 -1.12 -5.07 119.74 124.13 2kkz s LYS 110 Ca 0.29 -0.78 0.02 0.00 -1.56 0.00 0.00 55.97 53.94 2kkz s LYS 110 Cb -0.13 -2.34 0.01 0.00 -1.46 0.00 0.00 37.83 33.91 2kkz s LYS 110 CO 0.17 0.60 -0.15 0.08 0.16 0.00 0.00 175.35 176.21 2kkz s VAL 111 N -0.83 1.44 -0.73 4.02 1.01 -1.26 -0.82 120.40 123.24 2kkz s VAL 111 Ca 0.13 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2kkz s VAL 111 Cb -0.11 -1.31 0.18 0.00 0.00 0.00 0.00 36.38 35.14 2kkz s VAL 111 CO 0.03 0.43 0.55 -0.70 0.00 0.00 0.00 175.10 175.40 2kkz s GLU 112 N 0.91 2.70 6.99 2.72 2.56 -0.22 -4.91 118.70 129.46 2kkz s GLU 112 Ca -0.08 -3.04 0.00 0.00 0.00 0.00 0.00 54.97 51.84 2kkz s GLU 112 Cb -0.15 -3.66 0.00 0.00 2.00 0.00 0.00 34.13 32.31 2kkz s GLU 112 CO -0.00 -1.23 0.00 0.41 -0.56 0.00 0.00 175.26 173.88 2kkz n GLY 113 N 2.59 2.75 0.30 -1.50 0.00 -1.26 -2.05 105.19 106.02 2kkz n GLY 113 Ca 0.16 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.47 2kkz n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kkz n PRO 114 N 6.82 1.39 -3.76 1.61 -0.04 -1.26 -4.75 135.00 135.01 2kkz n PRO 114 Ca 0.00 -0.59 -0.27 0.00 -0.04 0.00 0.00 63.50 62.60 2kkz n PRO 114 Cb 0.00 -1.28 -0.17 0.00 -0.04 0.00 0.00 33.50 32.01 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 115 N -1.41 1.18 -0.08 1.53 1.43 -0.87 -0.86 118.68 119.61 2kkz s LEU 115 Ca 0.25 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 2kkz s LEU 115 Cb 0.13 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 2kkz s LEU 115 CO 0.19 -0.28 0.81 0.00 0.23 0.00 0.00 176.35 177.31 2kkz s ILE 117 N 1.29 4.98 -0.28 0.00 -1.09 0.00 -1.20 121.20 124.90 2kkz s ILE 117 Ca 0.41 0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.78 2kkz s ILE 117 Cb -0.18 -3.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.52 2kkz s ILE 117 CO 0.19 0.57 0.08 -0.13 -1.23 0.00 0.00 174.94 174.41 2kkz s ARG 118 N -0.60 3.30 -0.21 2.79 1.81 -0.23 -2.79 118.95 123.03 2kkz s ARG 118 Ca 0.11 -0.71 -0.03 0.00 -1.72 0.00 0.00 55.73 53.38 2kkz s ARG 118 Cb -0.12 -3.35 -0.00 0.00 -0.45 0.00 0.00 34.95 31.03 2kkz s ARG 118 CO 0.02 -0.35 -0.08 0.42 -0.68 0.00 0.00 175.30 174.64 2kkz s ILE 119 N 1.54 3.06 -0.31 1.52 -1.09 -1.12 -3.77 121.20 121.03 2kkz s ILE 119 Ca 0.04 -0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 57.76 2kkz s ILE 119 Cb -0.16 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 2kkz s ILE 119 CO 0.03 0.45 0.17 -0.62 -1.23 0.00 0.00 174.94 173.74 2kkz s ASP 120 N 1.43 5.69 0.43 3.58 -1.08 -1.24 -0.99 116.67 124.49 2kkz s ASP 120 Ca 0.06 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 51.89 2kkz s ASP 120 Cb -0.14 -2.04 0.64 0.00 -1.46 0.00 0.00 42.92 39.92 2kkz s ASP 120 CO -0.06 -0.18 1.71 1.56 0.52 0.00 0.00 175.17 178.72 2kkz h GLN 121 N 8.38 0.00 -0.03 4.34 4.20 -1.68 -3.32 115.11 126.99 2kkz h GLN 121 Ca -0.33 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 2kkz h GLN 121 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2kkz h GLN 121 CO 0.61 0.17 -0.26 0.00 -0.67 0.00 0.00 178.83 178.68 2kkz h ALA 122 N 1.83 0.07 -1.78 3.87 0.00 -1.93 -3.43 119.26 117.89 2kkz h ALA 122 Ca -0.00 -0.44 -0.56 0.00 0.00 0.00 0.00 54.91 53.91 2kkz h ALA 122 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2kkz h ALA 122 CO 0.02 0.11 1.20 0.42 0.00 0.00 0.00 179.25 181.00 2kkz s ILE 123 N -3.43 3.63 0.17 0.00 1.09 -1.25 -4.97 121.20 116.43 2kkz s ILE 123 Ca -0.15 0.62 0.05 0.00 -1.10 0.00 0.00 60.65 60.07 2kkz s ILE 123 Cb 0.02 -3.93 -0.05 0.00 -1.06 0.00 0.00 42.46 37.44 2kkz s ILE 123 CO 0.75 -0.64 -0.10 -0.04 -0.10 0.00 0.00 174.94 174.81 2kkz s MET 124 N 5.54 1.14 -1.16 2.79 -1.94 -1.26 -4.91 119.30 119.50 2kkz s MET 124 Ca 0.70 -1.50 -0.06 0.00 -1.71 0.00 0.00 55.69 53.11 2kkz s MET 124 Cb -0.17 -0.72 0.01 0.00 2.01 0.00 0.00 34.83 35.95 2kkz s MET 124 CO 0.31 0.08 0.83 -3.47 -0.01 0.00 0.00 175.02 172.76 2kkz n ASP 125 N -0.26 -5.51 -4.33 3.03 2.03 -0.43 -4.97 116.55 106.11 2kkz n ASP 125 Ca -0.09 -0.38 -0.25 0.00 0.52 0.00 0.00 54.79 54.59 2kkz n ASP 125 Cb 0.61 -4.18 -0.12 0.00 -0.72 0.00 0.00 41.12 36.70 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kkz s LYS 126 N -5.90 1.24 -0.62 -0.67 -0.14 -1.26 -4.96 119.74 107.43 2kkz s LYS 126 Ca 0.41 -1.28 -0.25 0.00 -1.36 0.00 0.00 55.97 53.50 2kkz s LYS 126 Cb -0.18 -1.52 0.05 0.00 -1.68 0.00 0.00 37.83 34.49 2kkz s LYS 126 CO 0.51 0.34 1.04 -0.80 -0.76 0.00 0.00 175.35 175.68 2kkz s ASN 127 N -2.15 6.27 -0.16 2.83 0.01 -1.26 -1.34 114.94 119.14 2kkz s ASN 127 Ca 0.11 -0.51 -0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2kkz s ASN 127 Cb -0.09 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 2kkz s ASN 127 CO 0.06 -1.43 -0.01 -0.63 -1.51 0.00 0.00 177.10 173.57 2kkz s ILE 128 N 4.41 4.13 -0.24 0.60 1.01 -0.67 -0.46 121.20 129.98 2kkz s ILE 128 Ca 0.30 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 2kkz s ILE 128 Cb -0.12 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2kkz s ILE 128 CO 0.16 0.49 0.28 -0.32 0.00 0.00 0.00 174.94 175.55 2kkz s MET 129 N 0.36 4.07 -0.53 2.79 -2.45 -0.11 -2.61 119.30 120.81 2kkz s MET 129 Ca -0.02 -0.08 -0.19 0.00 -1.25 0.00 0.00 55.69 54.15 2kkz s MET 129 Cb -0.14 -3.58 0.07 0.00 1.25 0.00 0.00 34.83 32.44 2kkz s MET 129 CO 0.02 -0.07 0.64 -0.51 1.05 0.00 0.00 175.02 176.14 2kkz s LEU 130 N 1.45 5.14 0.15 4.11 2.01 -0.74 -2.22 118.68 128.58 2kkz s LEU 130 Ca 0.12 -1.10 0.09 0.00 0.01 0.00 0.00 54.13 53.25 2kkz s LEU 130 Cb -0.15 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.63 2kkz s LEU 130 CO 0.08 -0.95 -0.20 -0.54 1.01 0.00 0.00 176.35 175.75 2kkz s LYS 131 N 2.59 1.25 0.10 1.70 1.02 -0.44 -1.10 119.74 124.85 2kkz s LYS 131 Ca 0.13 -1.34 -0.09 0.00 0.02 0.00 0.00 55.97 54.70 2kkz s LYS 131 Cb -0.21 -1.41 -0.00 0.00 -0.52 0.00 0.00 37.83 35.68 2kkz s LYS 131 CO 0.10 0.30 0.20 0.00 -0.92 0.00 0.00 175.35 175.03 2kkz s ALA 132 N -1.71 -0.20 -0.13 5.17 0.00 -1.26 -0.69 121.76 122.95 2kkz s ALA 132 Ca 0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2kkz s ALA 132 Cb -0.07 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2kkz s ALA 132 CO 0.06 -0.53 -0.10 -0.80 0.00 0.00 0.00 175.76 174.40 2kkz s ASN 133 N -2.87 4.33 0.04 0.00 0.01 -0.54 -3.02 114.94 112.88 2kkz s ASN 133 Ca 0.07 -0.22 -0.27 0.00 -0.71 0.00 0.00 52.86 51.72 2kkz s ASN 133 Cb 0.05 -1.57 0.07 0.00 0.41 0.00 0.00 41.25 40.21 2kkz s ASN 133 CO -0.10 0.20 0.65 0.72 -1.51 0.00 0.00 177.10 177.06 2kkz s PHE 134 N 0.16 -0.60 0.39 2.20 -0.71 -1.10 -1.61 117.98 116.72 2kkz s PHE 134 Ca -0.05 0.74 -0.11 0.00 -1.04 0.00 0.00 56.93 56.47 2kkz s PHE 134 Cb -0.15 0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 42.08 2kkz s PHE 134 CO 0.04 -0.71 0.76 0.45 -1.34 0.00 0.00 175.22 174.42 2kkz s SER 135 N -1.92 6.58 -0.01 1.98 0.15 -0.26 -1.04 113.70 119.18 2kkz s SER 135 Ca -0.05 1.16 0.02 0.00 0.70 0.00 0.00 55.95 57.78 2kkz s SER 135 Cb -0.00 -2.33 -0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2kkz s SER 135 CO -0.01 -0.35 -0.07 -0.69 1.20 0.00 0.00 173.24 173.32 2kkz s VAL 136 N -2.28 0.52 -0.05 4.45 1.01 0.43 -0.77 120.40 123.71 2kkz s VAL 136 Ca 0.52 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 2kkz s VAL 136 Cb -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2kkz s VAL 136 CO 0.28 0.15 0.14 -0.51 0.00 0.00 0.00 175.10 175.16 2kkz s ILE 137 N -0.13 -0.00 -1.76 2.22 1.10 -0.72 -1.76 121.20 120.14 2kkz s ILE 137 Ca 0.02 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.17 2kkz s ILE 137 Cb -0.03 -0.21 0.00 0.00 0.15 0.00 0.00 42.46 42.37 2kkz s ILE 137 CO -0.00 0.01 0.00 0.49 -2.11 0.00 0.00 174.94 173.32 2kkz n PHE 138 N 3.09 -0.70 -2.37 3.50 3.72 -1.26 -1.88 117.46 121.55 2kkz n PHE 138 Ca -0.13 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 2kkz n PHE 138 Cb 0.59 -3.66 -0.01 0.00 -0.94 0.00 0.00 39.48 35.46 2kkz n PHE 138 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kkz n ASP 139 N -1.58 -5.68 -4.16 4.37 8.00 -1.26 -5.01 116.55 111.23 2kkz n ASP 139 Ca -0.22 -0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.15 2kkz n ASP 139 Cb 0.67 -4.70 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkz s ARG 140 N -4.98 0.81 -0.14 -1.24 1.04 -0.79 -4.48 118.95 109.17 2kkz s ARG 140 Ca 0.00 -1.25 -0.29 0.00 -1.04 0.00 0.00 55.73 53.15 2kkz s ARG 140 Cb 0.00 -0.27 -0.06 0.00 -2.04 0.00 0.00 34.95 32.58 2kkz s ARG 140 CO 0.00 0.01 2.05 -1.17 -0.04 0.00 0.00 175.30 176.15 2kkz s LEU 141 N -2.80 3.83 -0.05 -1.89 0.20 -1.01 -1.76 118.68 115.20 2kkz s LEU 141 Ca 0.09 2.10 -0.07 0.00 0.69 0.00 0.00 54.13 56.93 2kkz s LEU 141 Cb 0.02 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 2kkz s LEU 141 CO -0.03 -1.57 0.35 -0.08 -0.29 0.00 0.00 176.35 174.73 2kkz h GLU 142 N 13.00 -0.26 -2.97 1.98 4.81 -1.23 -3.40 114.58 126.51 2kkz h GLU 142 Ca -0.43 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 58.63 2kkz h GLU 142 Cb 1.23 0.06 -0.30 0.00 0.63 0.00 0.00 28.75 30.37 2kkz h GLU 142 CO 0.96 -0.17 -0.47 0.99 -0.73 0.00 0.00 179.01 179.59 2kkz s THR 143 N -2.40 -0.08 -0.19 0.32 2.01 -1.18 -4.69 115.64 109.43 2kkz s THR 143 Ca -0.04 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2kkz s THR 143 Cb 0.00 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.10 2kkz s THR 143 CO 0.12 0.06 1.12 -0.22 -0.69 0.00 0.00 174.62 175.01 2kkz s LEU 144 N 1.39 4.15 -0.07 4.42 2.96 -1.26 -1.10 118.68 129.16 2kkz s LEU 144 Ca -0.08 1.52 -0.25 0.00 -0.22 0.00 0.00 54.13 55.10 2kkz s LEU 144 Cb -0.10 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.79 2kkz s LEU 144 CO -0.09 -0.68 0.93 0.40 -1.32 0.00 0.00 176.35 175.58 2kkz h ILE 145 N 5.42 1.61 -1.64 6.68 5.03 -1.66 -3.45 117.51 129.50 2kkz h ILE 145 Ca -0.23 -2.19 0.05 0.00 -0.12 0.00 0.00 64.86 62.37 2kkz h ILE 145 Cb 1.09 3.04 -0.23 0.00 -3.03 0.00 0.00 36.82 37.68 2kkz h ILE 145 CO 0.96 0.60 0.47 -0.22 -0.68 0.00 0.00 178.15 179.28 2kkz s LEU 146 N -8.29 -0.44 0.13 1.44 2.96 -0.94 -4.54 118.68 109.01 2kkz s LEU 146 Ca -0.16 0.58 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 2kkz s LEU 146 Cb -0.00 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.62 2kkz s LEU 146 CO 0.75 -0.33 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.06 2kkz s LEU 147 N -0.77 2.40 -0.09 -0.68 0.20 -0.77 -1.47 118.68 117.49 2kkz s LEU 147 Ca -0.02 -0.81 -0.14 0.00 0.69 0.00 0.00 54.13 53.85 2kkz s LEU 147 Cb -0.02 -0.71 0.03 0.00 -0.43 0.00 0.00 46.19 45.07 2kkz s LEU 147 CO 0.01 -0.07 0.37 -0.60 -0.29 0.00 0.00 176.35 175.77 2kkz s ARG 148 N -2.57 0.54 -0.26 1.98 3.52 0.13 -1.24 118.95 121.05 2kkz s ARG 148 Ca 0.11 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 2kkz s ARG 148 Cb -0.06 0.25 0.05 0.00 -1.56 0.00 0.00 34.95 33.63 2kkz s ARG 148 CO 0.05 -0.11 -0.07 0.00 -0.81 0.00 0.00 175.30 174.36 2kkz s ALA 149 N -0.38 2.66 0.01 6.12 0.00 -0.32 -1.33 121.76 128.52 2kkz s ALA 149 Ca -0.05 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.29 2kkz s ALA 149 Cb -0.03 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2kkz s ALA 149 CO 0.02 -1.08 -0.12 -0.59 0.00 0.00 0.00 175.76 174.00 2kkz s PHE 150 N 1.21 1.02 1.13 0.00 -0.71 -0.94 -1.37 117.98 118.33 2kkz s PHE 150 Ca -0.05 -0.26 -0.13 0.00 -1.04 0.00 0.00 56.93 55.46 2kkz s PHE 150 Cb -0.19 -0.63 0.27 0.00 -1.21 0.00 0.00 43.02 41.26 2kkz s PHE 150 CO -0.04 -0.00 1.04 0.95 -1.34 0.00 0.00 175.22 175.83 2kkz s THR 151 N -0.52 2.02 0.55 -4.49 -4.23 -0.53 -0.93 115.64 107.51 2kkz s THR 151 Ca 0.02 0.01 0.30 0.00 -1.18 0.00 0.00 61.69 60.84 2kkz s THR 151 Cb -0.06 -2.16 0.44 0.00 1.34 0.00 0.00 72.50 72.06 2kkz s THR 151 CO 0.00 -0.01 1.90 1.05 -0.54 0.00 0.00 174.62 177.02 2kkz h GLU 152 N -2.49 0.00 0.00 3.99 4.11 -1.12 -0.13 114.58 118.94 2kkz h GLU 152 Ca -0.60 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.60 2kkz h GLU 152 Cb 1.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 2kkz h GLU 152 CO 0.52 0.00 -1.25 0.93 0.07 0.00 0.00 179.01 179.28 2kkz h GLU 153 N 0.00 0.00 0.00 1.06 4.39 -1.90 -3.48 114.58 114.64 2kkz h GLU 153 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2kkz h GLU 153 Cb 1.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2kkz h GLU 153 CO -0.00 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 179.01 2kkz n GLY 154 N 1.42 1.27 3.63 -3.84 0.00 -0.06 -5.10 105.19 102.51 2kkz n GLY 154 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2kkz n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkz s ALA 155 N -2.00 3.38 -0.03 4.61 0.00 -1.26 -4.73 121.76 121.74 2kkz s ALA 155 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 2kkz s ALA 155 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 2kkz s ALA 155 CO 0.00 -1.75 1.39 0.42 0.00 0.00 0.00 175.76 175.82 2kkz s ILE 156 N 3.94 3.81 0.00 0.00 1.01 -1.26 -1.45 121.20 127.25 2kkz s ILE 156 Ca 0.46 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.27 2kkz s ILE 156 Cb -0.11 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2kkz s ILE 156 CO 0.21 -0.02 0.16 1.33 0.00 0.00 0.00 174.94 176.62 2kkz n VAL 157 N 4.81 0.00 -3.66 2.92 0.24 -0.59 -4.85 118.33 117.20 2kkz n VAL 157 Ca 0.13 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 2kkz n VAL 157 Cb 0.44 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 2kkz n VAL 157 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kkz s GLY 158 N -0.43 -0.29 -0.15 7.63 0.00 -0.47 -3.62 107.32 109.99 2kkz s GLY 158 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 2kkz s GLY 158 CO 0.00 -0.04 0.98 1.85 0.00 0.00 0.00 173.10 175.89 2kkz s GLU 159 N -3.84 0.63 -0.30 2.90 2.12 -1.25 -1.17 118.70 117.78 2kkz s GLU 159 Ca 0.07 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.56 2kkz s GLU 159 Cb -0.03 0.30 0.08 0.00 0.26 0.00 0.00 34.13 34.74 2kkz s GLU 159 CO -0.03 -0.20 -0.00 0.42 -0.54 0.00 0.00 175.26 174.91 2kkz s ILE 160 N -1.21 2.03 -0.46 -3.70 1.01 -0.37 -1.06 121.20 117.44 2kkz s ILE 160 Ca -0.02 -1.92 -0.18 0.00 0.00 0.00 0.00 60.65 58.53 2kkz s ILE 160 Cb -0.00 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 40.14 2kkz s ILE 160 CO 0.02 -0.38 0.50 -0.55 0.00 0.00 0.00 174.94 174.53 2kkz s SER 161 N 1.08 6.21 -0.15 3.58 0.15 -0.34 -1.84 113.70 122.38 2kkz s SER 161 Ca 0.03 -0.82 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 2kkz s SER 161 Cb -0.19 -2.25 -0.07 0.00 -1.71 0.00 0.00 66.02 61.80 2kkz s SER 161 CO -0.08 -0.70 2.12 -2.65 1.20 0.00 0.00 173.24 173.13 2kkz n PRO 162 N 5.76 2.12 -2.19 5.44 -0.02 -1.26 -1.33 135.00 143.53 2kkz n PRO 162 Ca -0.07 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 2kkz n PRO 162 Cb 0.46 -3.04 -0.03 0.00 -0.02 0.00 0.00 33.50 30.88 2kkz n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 163 N 6.80 4.30 0.16 2.45 1.43 -0.04 -4.91 118.68 128.87 2kkz s LEU 163 Ca 0.98 2.09 0.18 0.00 -1.03 0.00 0.00 54.13 56.35 2kkz s LEU 163 Cb -0.45 -3.55 0.79 0.00 0.03 0.00 0.00 46.19 43.00 2kkz s LEU 163 CO 0.40 -0.79 1.55 -0.81 0.23 0.00 0.00 176.35 176.93 2kkz n PRO 164 N 6.06 0.10 0.26 1.29 -0.04 -1.26 -1.88 135.00 139.54 2kkz n PRO 164 Ca 0.14 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2kkz n PRO 164 Cb 0.43 -1.73 0.72 0.00 -0.04 0.00 0.00 33.50 32.89 2kkz n PRO 164 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kkz h SER 165 N 0.00 0.00 -3.55 3.54 0.02 -1.96 -3.41 113.55 108.19 2kkz h SER 165 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2kkz h SER 165 Cb 0.24 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.50 2kkz h SER 165 CO 0.00 0.12 -0.67 -0.36 -1.14 0.00 0.00 176.83 174.78 2kkz s PHE 166 N -4.18 3.09 -0.09 3.45 0.40 -0.79 -5.01 117.98 114.85 2kkz s PHE 166 Ca -0.03 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 2kkz s PHE 166 Cb 0.13 -2.18 0.09 0.00 0.51 0.00 0.00 43.02 41.57 2kkz s PHE 166 CO 0.59 -0.59 1.66 -0.35 0.70 0.00 0.00 175.22 177.23 2kkz n PRO 167 N 4.81 1.24 0.00 0.24 -0.04 -1.26 -4.83 135.00 135.16 2kkz n PRO 167 Ca -0.16 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 2kkz n PRO 167 Cb 0.49 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2kkz n PRO 167 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kkz n GLY 168 N 0.76 3.19 3.33 0.55 0.00 -1.26 -5.17 105.19 106.60 2kkz n GLY 168 Ca 0.10 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2kkz n GLY 168 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kkz s HIS 169 N -2.00 -0.47 0.32 1.61 -3.43 -1.26 -4.90 115.29 105.16 2kkz s HIS 169 Ca 0.00 1.14 -0.10 0.00 -0.80 0.00 0.00 55.06 55.30 2kkz s HIS 169 Cb 0.00 0.16 -0.07 0.00 -1.43 0.00 0.00 32.58 31.24 2kkz s HIS 169 CO 0.00 -0.24 0.67 0.99 -2.00 0.00 0.00 174.74 174.16 2kkz s THR 170 N 0.16 4.84 0.36 -5.38 2.01 -1.26 -4.83 115.64 111.54 2kkz s THR 170 Ca -0.01 0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.60 2kkz s THR 170 Cb -0.03 -3.67 0.28 0.00 0.01 0.00 0.00 72.50 69.08 2kkz s THR 170 CO 0.01 -0.29 2.00 -0.29 -0.69 0.00 0.00 174.62 175.36 2kkz h ILE 171 N 1.58 1.10 -0.14 1.82 2.10 -1.84 -0.50 117.51 121.63 2kkz h ILE 171 Ca -0.47 -0.27 -0.05 0.00 1.08 0.00 0.00 64.86 65.15 2kkz h ILE 171 Cb 1.18 0.26 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 2kkz h ILE 171 CO 0.66 0.14 -0.13 -0.33 -1.08 0.00 0.00 178.15 177.41 2kkz h GLU 172 N 0.77 0.22 0.00 2.19 5.08 -1.93 -1.17 114.58 119.75 2kkz h GLU 172 Ca 0.25 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.32 2kkz h GLU 172 Cb 0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2kkz h GLU 172 CO -0.07 0.36 -1.25 0.22 -1.00 0.00 0.00 179.01 177.28 2kkz h ASP 173 N 0.21 0.00 -0.76 1.42 3.58 -1.65 -3.21 116.42 116.01 2kkz h ASP 173 Ca 0.04 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2kkz h ASP 173 Cb 0.37 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 2kkz h ASP 173 CO 0.02 1.00 0.37 0.58 -2.88 0.00 0.00 179.24 178.34 2kkz h VAL 174 N 0.00 1.24 -0.81 2.25 2.07 -0.72 -2.28 116.25 118.00 2kkz h VAL 174 Ca -0.11 -0.67 0.14 0.00 0.82 0.00 0.00 66.70 66.89 2kkz h VAL 174 Cb 1.86 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.78 2kkz h VAL 174 CO 0.11 0.29 0.39 0.11 0.02 0.00 0.00 177.57 178.48 2kkz h LYS 175 N 1.09 0.54 -0.29 1.57 1.57 -1.23 -0.70 116.57 119.12 2kkz h LYS 175 Ca 0.27 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2kkz h LYS 175 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2kkz h LYS 175 CO -0.03 0.36 0.00 -0.91 -0.57 0.00 0.00 179.45 178.29 2kkz h ASN 176 N 0.56 0.50 -0.31 0.86 2.35 -1.44 -1.14 115.58 116.96 2kkz h ASN 176 Ca 0.44 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2kkz h ASN 176 Cb 0.64 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 2kkz h ASN 176 CO -0.37 0.69 0.14 0.00 -1.65 0.00 0.00 177.43 176.24 2kkz h ALA 177 N 0.83 0.40 -0.50 -0.83 0.00 -0.89 -1.63 119.26 116.64 2kkz h ALA 177 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kkz h ALA 177 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kkz h ALA 177 CO 0.01 -0.04 0.13 0.82 0.00 0.00 0.00 179.25 180.18 2kkz h ILE 178 N 0.36 1.21 -0.47 0.00 2.04 -1.12 -2.39 117.51 117.15 2kkz h ILE 178 Ca 0.11 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2kkz h ILE 178 Cb 0.13 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2kkz h ILE 178 CO -0.01 0.28 0.17 1.23 0.00 0.00 0.00 178.15 179.81 2kkz h GLY 179 N 0.92 0.73 0.64 5.37 0.00 -0.76 -1.15 103.07 108.83 2kkz h GLY 179 Ca 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2kkz h GLY 179 CO -0.00 0.35 -0.03 -2.08 0.00 0.00 0.00 176.54 174.78 2kkz h VAL 180 N 0.67 1.33 0.03 4.60 2.07 -0.83 -1.18 116.25 122.95 2kkz h VAL 180 Ca 0.16 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2kkz h VAL 180 Cb 0.17 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2kkz h VAL 180 CO -0.01 0.28 -0.02 0.25 0.02 0.00 0.00 177.57 178.09 2kkz h LEU 181 N -0.28 -0.05 -0.22 2.57 5.85 -1.29 -1.20 115.31 120.69 2kkz h LEU 181 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kkz h LEU 181 Cb 0.46 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kkz h LEU 181 CO 0.01 -0.03 0.11 0.40 -0.34 0.00 0.00 178.44 178.59 2kkz h ILE 182 N -0.05 1.13 -0.59 4.05 2.04 -1.30 -2.79 117.51 120.00 2kkz h ILE 182 Ca 0.00 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2kkz h ILE 182 Cb 0.05 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2kkz h ILE 182 CO -0.00 0.13 0.39 1.23 0.00 0.00 0.00 178.15 179.89 2kkz h GLY 183 N 0.24 0.76 1.28 5.37 0.00 -1.03 -0.79 103.07 108.91 2kkz h GLY 183 Ca 0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 2kkz h GLY 183 CO -0.01 0.22 -0.36 -1.33 0.00 0.00 0.00 176.54 175.05 2kkz h GLY 184 N 0.65 0.86 1.78 4.60 0.00 -1.10 -3.05 103.07 106.83 2kkz h GLY 184 Ca 0.24 -0.85 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 2kkz h GLY 184 CO -0.07 0.77 -0.57 1.41 0.00 0.00 0.00 176.54 178.09 2kkz h LEU 185 N 0.66 0.26 -0.50 3.11 4.07 -1.05 -2.95 115.31 118.90 2kkz h LEU 185 Ca 0.06 -0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.73 2kkz h LEU 185 Cb 0.92 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 2kkz h LEU 185 CO 0.08 0.77 -0.41 -0.33 -1.08 0.00 0.00 178.44 177.47 2kkz h GLU 186 N 0.17 0.78 0.00 1.13 5.08 -1.14 -1.31 114.58 119.30 2kkz h GLU 186 Ca -0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2kkz h GLU 186 Cb 1.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kkz h GLU 186 CO 0.09 1.04 0.00 0.07 -1.00 0.00 0.00 179.01 179.21 2kkz h ARG 187 N 0.63 0.00 0.00 2.33 0.11 -1.59 -1.62 114.38 114.25 2kkz h ARG 187 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2kkz h ARG 187 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 2kkz h ARG 187 CO 0.09 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.25 2kkz n ASN 188 N -2.56 0.24 -2.77 0.08 4.13 -1.07 -4.96 115.26 108.35 2kkz n ASN 188 Ca 0.05 0.53 -0.11 0.00 1.68 0.00 0.00 54.58 56.73 2kkz n ASN 188 Cb 0.44 -0.59 0.05 0.00 -1.54 0.00 0.00 39.78 38.14 2kkz n ASN 188 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kkz n ASP 189 N -1.74 -5.35 -4.65 6.41 2.03 -0.61 -4.04 116.55 108.61 2kkz n ASP 189 Ca 0.05 -0.52 -0.29 0.00 0.52 0.00 0.00 54.79 54.56 2kkz n ASP 189 Cb 0.30 -3.94 -0.08 0.00 -0.72 0.00 0.00 41.12 36.68 2kkz n ASP 189 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kkz s ASN 190 N -3.29 4.77 -0.64 1.67 0.01 -0.53 -1.31 114.94 115.62 2kkz s ASN 190 Ca 0.33 -0.30 -0.26 0.00 -0.71 0.00 0.00 52.86 51.92 2kkz s ASN 190 Cb -0.04 -1.04 0.04 0.00 0.41 0.00 0.00 41.25 40.62 2kkz s ASN 190 CO 0.54 0.15 1.11 -0.89 -1.51 0.00 0.00 177.10 176.50 2kkz s THR 191 N -1.40 4.08 0.11 1.60 2.01 -0.45 -4.54 115.64 117.05 2kkz s THR 191 Ca 0.25 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 2kkz s THR 191 Cb -0.11 -4.73 -0.07 0.00 0.01 0.00 0.00 72.50 67.60 2kkz s THR 191 CO 0.17 -1.48 0.61 0.68 -0.69 0.00 0.00 174.62 173.91 2kkz s VAL 192 N 4.75 4.68 -0.09 3.82 -7.23 -1.26 -1.68 120.40 123.39 2kkz s VAL 192 Ca 0.32 1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 61.72 2kkz s VAL 192 Cb -0.11 -3.92 0.05 0.00 0.56 0.00 0.00 36.38 32.96 2kkz s VAL 192 CO 0.17 0.50 0.20 -0.60 -0.31 0.00 0.00 175.10 175.06 2kkz s ARG 193 N -1.26 0.13 0.15 4.82 3.52 -1.07 -4.97 118.95 120.28 2kkz s ARG 193 Ca 0.32 0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 56.24 2kkz s ARG 193 Cb -0.19 -0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 32.97 2kkz s ARG 193 CO 0.20 -0.20 0.64 0.08 -0.81 0.00 0.00 175.30 175.21 2kkz s VAL 194 N 1.53 4.68 0.55 7.11 1.01 -1.26 -1.78 120.40 132.23 2kkz s VAL 194 Ca -0.06 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 2kkz s VAL 194 Cb -0.11 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2kkz s VAL 194 CO -0.07 0.34 1.27 -0.55 0.00 0.00 0.00 175.10 176.09 2kkz s SER 195 N -1.48 5.36 0.39 3.32 0.15 -0.26 -4.79 113.70 116.40 2kkz s SER 195 Ca 0.37 2.55 0.13 0.00 0.70 0.00 0.00 55.95 59.70 2kkz s SER 195 Cb -0.18 -2.62 0.94 0.00 -1.71 0.00 0.00 66.02 62.46 2kkz s SER 195 CO 0.20 -1.49 1.90 0.11 1.20 0.00 0.00 173.24 175.16 2kkz h LYS 196 N 1.32 0.53 0.23 5.44 1.57 -1.96 0.91 116.57 124.60 2kkz h LYS 196 Ca -0.50 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 2kkz h LYS 196 Cb 1.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kkz h LYS 196 CO 0.57 0.35 -0.11 1.79 -0.57 0.00 0.00 179.45 181.47 2kkz h THR 197 N 0.54 0.83 0.00 -0.16 1.35 -1.97 -2.41 112.91 111.10 2kkz h THR 197 Ca 0.41 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2kkz h THR 197 Cb 0.79 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2kkz h THR 197 CO -0.16 0.11 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.06 2kkz h LEU 198 N -0.58 0.00 -0.01 3.87 3.38 -1.60 -0.76 115.31 119.60 2kkz h LEU 198 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2kkz h LEU 198 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 2kkz h LEU 198 CO 0.05 0.09 -0.33 1.56 0.09 0.00 0.00 178.44 179.90 2kkz h GLN 199 N 0.00 0.24 0.00 1.13 4.20 -0.79 0.39 115.11 120.29 2kkz h GLN 199 Ca -0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2kkz h GLN 199 Cb 0.22 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2kkz h GLN 199 CO 0.01 0.96 -0.44 2.89 -0.67 0.00 0.00 178.83 181.57 2kkz n ARG 200 N -4.44 0.13 -0.09 1.46 -4.01 -0.92 -0.17 116.66 108.63 2kkz n ARG 200 Ca -0.10 0.05 -0.16 0.00 -1.04 0.00 0.00 57.85 56.60 2kkz n ARG 200 Cb 0.54 -1.60 -0.07 0.00 -3.04 0.00 0.00 32.46 28.29 2kkz n ARG 200 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2kkz n PHE 201 N -1.80 0.00 -0.03 2.89 3.72 -0.32 -4.81 117.46 117.12 2kkz n PHE 201 Ca 0.05 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 2kkz n PHE 201 Cb 0.38 -0.68 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 2kkz n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kkz n ALA 202 N -3.45 1.86 -0.10 4.37 0.00 -0.50 -2.39 120.51 120.30 2kkz n ALA 202 Ca -0.34 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 2kkz n ALA 202 Cb 0.80 0.27 -0.13 0.00 0.00 0.00 0.00 19.45 20.38 2kkz n ALA 202 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kkz n TRP 203 N -2.51 0.20 -1.70 0.00 -0.00 0.13 -4.65 117.44 108.92 2kkz n TRP 203 Ca -0.11 0.05 -0.29 0.00 -0.00 0.00 0.00 57.50 57.15 2kkz n TRP 203 Cb 0.64 -1.03 0.13 0.00 -0.00 0.00 0.00 31.31 31.05 2kkz n TRP 203 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 2kkz s GLY 204 N -6.16 1.61 -1.63 5.87 0.00 0.77 -3.90 107.32 103.87 2kkz s GLY 204 Ca -0.28 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2kkz s GLY 204 CO 0.67 -0.10 0.00 1.44 0.00 0.00 0.00 173.10 175.11 2kkz n SER 205 N -3.65 -5.34 -0.19 1.64 7.64 -1.26 -4.90 113.62 107.55 2kkz n SER 205 Ca 0.08 0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 2kkz n SER 205 Cb 0.60 -4.49 0.01 0.00 -1.01 0.00 0.00 64.21 59.32 2kkz n SER 205 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2kkz h SER 206 N 0.00 0.94 -4.28 6.43 0.87 -1.94 -3.43 113.55 112.14 2kkz h SER 206 Ca -0.44 -0.30 -0.51 0.00 -1.23 0.00 0.00 61.79 59.32 2kkz h SER 206 Cb 1.32 -0.25 0.09 0.00 -0.44 0.00 0.00 62.40 63.12 2kkz h SER 206 CO 0.53 1.01 0.36 0.20 -0.53 0.00 0.00 176.83 178.40 2kkz s ASN 207 N -6.44 5.37 0.25 6.23 -0.87 -1.26 -5.02 114.94 113.20 2kkz s ASN 207 Ca -0.12 1.73 -0.30 0.00 -1.57 0.00 0.00 52.86 52.60 2kkz s ASN 207 Cb 0.13 -2.51 -0.10 0.00 -0.02 0.00 0.00 41.25 38.74 2kkz s ASN 207 CO 0.84 -1.45 1.43 -1.83 -2.57 0.00 0.00 177.10 173.51 2kkz s GLU 208 N -4.67 4.28 0.19 -0.60 1.03 -1.26 -5.01 118.70 112.66 2kkz s GLU 208 Ca 0.61 2.29 -0.15 0.00 0.03 0.00 0.00 54.97 57.75 2kkz s GLU 208 Cb -0.15 -3.11 0.01 0.00 -0.80 0.00 0.00 34.13 30.08 2kkz s GLU 208 CO 0.49 -0.40 0.46 0.54 -1.33 0.00 0.00 175.26 175.01 2kkz s ASN 209 N 0.31 -0.16 0.69 0.83 2.20 -1.26 -5.17 114.94 112.38 2kkz s ASN 209 Ca 0.59 -0.63 -0.11 0.00 -0.94 0.00 0.00 52.86 51.76 2kkz s ASN 209 Cb -0.42 0.54 0.01 0.00 -2.00 0.00 0.00 41.25 39.38 2kkz s ASN 209 CO 0.44 -1.02 1.06 -0.83 -2.94 0.00 0.00 177.10 173.80 2kkz s GLY 210 N -2.91 1.67 0.08 0.45 0.00 -1.26 -5.10 107.32 100.24 2kkz s GLY 210 Ca 0.13 0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 2kkz s GLY 210 CO -0.01 0.39 0.34 1.09 0.00 0.00 0.00 173.10 174.91 2kkz s ARG 211 N -5.04 0.94 0.88 2.90 1.04 -1.26 -5.18 118.95 113.23 2kkz s ARG 211 Ca 0.58 -0.63 -0.11 0.00 -1.04 0.00 0.00 55.73 54.52 2kkz s ARG 211 Cb -0.14 0.41 0.12 0.00 -2.04 0.00 0.00 34.95 33.30 2kkz s ARG 211 CO 0.55 -0.33 1.14 -2.30 -0.04 0.00 0.00 175.30 174.32 2kkz n PRO 212 N 0.14 -0.25 -1.58 3.89 -0.02 -1.26 -4.90 135.00 131.02 2kkz n PRO 212 Ca -0.17 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 60.82 2kkz n PRO 212 Cb 0.62 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2kkz n PRO 212 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kkz n PRO 213 N -3.86 1.67 -2.33 0.52 -0.04 -1.26 -4.90 135.00 124.81 2kkz n PRO 213 Ca 0.12 0.54 -0.43 0.00 -0.04 0.00 0.00 63.50 63.70 2kkz n PRO 213 Cb 0.51 -2.66 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 214 N 6.07 4.23 -0.48 1.53 1.43 -1.26 -4.98 118.68 125.22 2kkz s LEU 214 Ca 1.01 1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 55.66 2kkz s LEU 214 Cb -0.71 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 41.99 2kkz s LEU 214 CO 0.48 -0.78 1.36 -0.89 0.23 0.00 0.00 176.35 176.75 2kkz s THR 215 N 3.43 3.92 0.03 5.49 2.01 -1.26 -5.01 115.64 124.26 2kkz s THR 215 Ca 0.59 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.53 2kkz s THR 215 Cb -0.25 -4.36 -0.02 0.00 0.01 0.00 0.00 72.50 67.88 2kkz s THR 215 CO 0.19 -0.95 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.27 2kkz s LEU 216 N 5.46 2.15 0.00 4.42 1.43 -1.26 -5.25 118.68 125.63 2kkz s LEU 216 Ca 0.56 -0.42 0.17 0.00 -1.03 0.00 0.00 54.13 53.40 2kkz s LEU 216 Cb -0.11 -0.59 0.13 0.00 0.03 0.00 0.00 46.19 45.65 2kkz s LEU 216 CO 0.30 0.04 1.02 -1.84 0.23 0.00 0.00 176.35 176.11