#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz n PRO 85 N 0.00 2.20 -1.64 3.17 -0.02 -1.26 -4.88 135.00 132.58 2kkz n PRO 85 Ca 0.00 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 2kkz n PRO 85 Cb 0.00 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 30.95 2kkz n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkz s ALA 86 N 0.20 1.53 0.08 3.55 0.00 -1.26 -4.92 121.76 120.94 2kkz s ALA 86 Ca 0.70 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.10 2kkz s ALA 86 Cb -0.62 -4.39 -0.08 0.00 0.00 0.00 0.00 23.12 18.03 2kkz s ALA 86 CO 0.46 -4.66 1.47 -1.54 0.00 0.00 0.00 175.76 171.49 2kkz s SER 87 N 11.34 6.75 -0.07 0.00 1.04 -1.26 -5.00 113.70 126.50 2kkz s SER 87 Ca 0.92 2.33 0.04 0.00 0.48 0.00 0.00 55.95 59.72 2kkz s SER 87 Cb -0.15 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 2kkz s SER 87 CO 0.21 -0.75 -0.18 -0.60 0.98 0.00 0.00 173.24 172.91 2kkz s ARG 88 N 1.84 2.67 -0.56 4.02 3.52 -1.18 -4.86 118.95 124.40 2kkz s ARG 88 Ca 0.67 -0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 55.26 2kkz s ARG 88 Cb -0.37 -2.35 0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2kkz s ARG 88 CO 0.30 0.47 0.97 0.71 -0.81 0.00 0.00 175.30 176.94 2kkz s TYR 89 N -0.35 2.76 -0.19 5.12 1.51 -1.26 -0.49 117.35 124.46 2kkz s TYR 89 Ca 0.03 0.02 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 2kkz s TYR 89 Cb -0.12 -4.14 -0.00 0.00 -0.11 0.00 0.00 41.96 37.58 2kkz s TYR 89 CO 0.02 -1.40 1.15 0.42 -1.11 0.00 0.00 175.55 174.64 2kkz s ILE 90 N 4.09 4.48 -1.04 2.71 -1.09 -0.12 -4.92 121.20 125.30 2kkz s ILE 90 Ca 0.32 1.79 -0.03 0.00 -2.23 0.00 0.00 60.65 60.50 2kkz s ILE 90 Cb -0.12 -4.15 0.31 0.00 -1.58 0.00 0.00 42.46 36.92 2kkz s ILE 90 CO 0.20 -0.14 1.57 0.35 -1.23 0.00 0.00 174.94 175.69 2kkz n THR 91 N 5.28 5.50 0.19 2.92 -2.24 -1.26 -2.86 114.28 121.81 2kkz n THR 91 Ca 0.13 -5.94 0.04 0.00 -2.27 0.00 0.00 64.05 56.00 2kkz n THR 91 Cb 0.46 -1.89 0.38 0.00 -2.10 0.00 0.00 70.33 67.18 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 4.95 0.00 -3.31 3.42 3.58 -1.92 -3.40 116.42 119.74 2kkz h ASP 92 Ca 0.31 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 57.14 2kkz h ASP 92 Cb 0.51 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.39 2kkz h ASP 92 CO 1.27 0.36 -0.59 -0.32 -2.88 0.00 0.00 179.24 177.08 2kkz s MET 93 N -4.11 3.90 0.72 0.28 1.75 -1.25 -4.72 119.30 115.87 2kkz s MET 93 Ca -0.02 -0.38 -0.14 0.00 -1.25 0.00 0.00 55.69 53.90 2kkz s MET 93 Cb 0.14 -3.16 0.03 0.00 2.84 0.00 0.00 34.83 34.68 2kkz s MET 93 CO 0.71 0.24 1.13 0.95 -0.65 0.00 0.00 175.02 177.41 2kkz s THR 94 N 0.43 2.92 0.38 10.11 -4.23 -1.26 -4.78 115.64 119.20 2kkz s THR 94 Ca 0.02 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.97 2kkz s THR 94 Cb -0.13 -2.87 0.27 0.00 1.34 0.00 0.00 72.50 71.11 2kkz s THR 94 CO 0.01 -0.30 2.03 0.40 -0.54 0.00 0.00 174.62 176.22 2kkz h ILE 95 N -0.44 1.12 0.65 2.99 5.03 -1.98 -0.43 117.51 124.45 2kkz h ILE 95 Ca -0.46 -0.24 -0.03 0.00 -0.12 0.00 0.00 64.86 64.01 2kkz h ILE 95 Cb 1.26 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 35.38 2kkz h ILE 95 CO 0.51 0.13 -0.42 -0.33 -0.68 0.00 0.00 178.15 177.36 2kkz h GLU 96 N 0.71 -0.98 0.00 2.37 5.08 -1.95 -1.24 114.58 118.58 2kkz h GLU 96 Ca 0.21 0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2kkz h GLU 96 Cb -0.03 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kkz h GLU 96 CO -0.05 -0.65 -0.40 1.05 -1.00 0.00 0.00 179.01 177.96 2kkz h GLU 97 N -1.02 0.00 -0.96 2.33 4.11 -1.90 -0.31 114.58 116.84 2kkz h GLU 97 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2kkz h GLU 97 Cb 0.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2kkz h GLU 97 CO 0.07 0.40 0.59 1.25 0.07 0.00 0.00 179.01 181.38 2kkz h LEU 98 N 0.00 1.14 -3.37 3.06 6.46 -0.97 -2.98 115.31 118.65 2kkz h LEU 98 Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kkz h LEU 98 Cb 0.86 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2kkz h LEU 98 CO 0.05 0.86 0.00 -1.54 -0.62 0.00 0.00 178.44 177.20 2kkz n SER 99 N -4.36 4.57 -4.77 1.25 3.41 -0.48 -5.02 113.62 108.23 2kkz n SER 99 Ca 0.11 -2.99 -0.40 0.00 -0.26 0.00 0.00 58.87 55.32 2kkz n SER 99 Cb 0.05 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kkz s ARG 100 N -2.81 4.45 -0.03 4.33 6.06 -0.18 -5.01 118.95 125.76 2kkz s ARG 100 Ca 0.47 2.05 -0.30 0.00 -2.50 0.00 0.00 55.73 55.45 2kkz s ARG 100 Cb 0.37 -3.10 -0.03 0.00 0.06 0.00 0.00 34.95 32.25 2kkz s ARG 100 CO 0.11 -0.04 1.03 -0.51 -2.50 0.00 0.00 175.30 173.39 2kkz s ASP 101 N -0.66 7.27 0.22 -2.12 1.01 -1.26 -5.04 116.67 116.09 2kkz s ASP 101 Ca 0.48 1.68 -0.12 0.00 0.71 0.00 0.00 52.55 55.30 2kkz s ASP 101 Cb -0.37 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.00 2kkz s ASP 101 CO 0.48 -0.37 0.42 -1.66 0.21 0.00 0.00 175.17 174.25 2kkz s TRP 102 N 1.41 0.35 -0.03 4.23 1.48 -1.26 -5.02 118.94 120.10 2kkz s TRP 102 Ca 0.52 -0.70 0.04 0.00 -1.06 0.00 0.00 56.10 54.90 2kkz s TRP 102 Cb -0.22 0.12 -0.00 0.00 -1.16 0.00 0.00 33.47 32.21 2kkz s TRP 102 CO 0.25 -0.90 -0.16 -0.59 -4.06 0.00 0.00 176.95 171.49 2kkz s PHE 103 N -3.99 1.59 -0.80 1.66 -0.71 -1.26 -5.08 117.98 109.38 2kkz s PHE 103 Ca 0.20 -0.41 -0.17 0.00 -1.04 0.00 0.00 56.93 55.51 2kkz s PHE 103 Cb 0.01 -1.06 0.15 0.00 -1.21 0.00 0.00 43.02 40.90 2kkz s PHE 103 CO 0.05 -0.12 0.89 1.41 -1.34 0.00 0.00 175.22 176.11 2kkz s MET 104 N -0.05 3.43 0.11 1.99 1.75 -1.26 -4.78 119.30 120.49 2kkz s MET 104 Ca -0.01 -1.84 -0.26 0.00 -1.25 0.00 0.00 55.69 52.33 2kkz s MET 104 Cb -0.10 -4.56 -0.08 0.00 2.84 0.00 0.00 34.83 32.93 2kkz s MET 104 CO 0.01 -1.56 1.65 1.25 -0.65 0.00 0.00 175.02 175.73 2kkz h LEU 105 N 9.47 -0.64 -7.89 4.11 5.85 -1.95 -3.23 115.31 121.03 2kkz h LEU 105 Ca 0.00 0.08 -0.77 0.00 0.84 0.00 0.00 57.88 58.04 2kkz h LEU 105 Cb 1.05 0.25 -0.27 0.00 0.37 0.00 0.00 40.66 42.06 2kkz h LEU 105 CO 0.99 -0.31 -0.08 -0.04 -0.34 0.00 0.00 178.44 178.67 2kkz s MET 106 N -6.09 3.22 -0.35 1.25 -1.94 -1.26 -5.01 119.30 109.13 2kkz s MET 106 Ca -0.15 -2.20 -0.29 0.00 -1.71 0.00 0.00 55.69 51.34 2kkz s MET 106 Cb 0.08 -4.27 -0.00 0.00 2.01 0.00 0.00 34.83 32.64 2kkz s MET 106 CO 0.66 -1.28 1.49 -2.14 -0.01 0.00 0.00 175.02 173.74 2kkz s PRO 107 N 0.64 3.63 -0.28 2.03 0.02 -1.22 -2.48 135.00 137.34 2kkz s PRO 107 Ca 0.13 1.20 -0.02 0.00 0.02 0.00 0.00 61.00 62.33 2kkz s PRO 107 Cb -0.18 -4.03 0.04 0.00 0.02 0.00 0.00 34.50 30.35 2kkz s PRO 107 CO -0.04 -1.49 -0.02 0.21 -0.33 0.00 0.00 177.00 175.32 2kkz s LYS 108 N 4.88 2.62 -0.57 5.54 2.47 -0.70 -5.01 119.74 128.98 2kkz s LYS 108 Ca 0.65 -1.13 -0.19 0.00 -1.56 0.00 0.00 55.97 53.75 2kkz s LYS 108 Cb -0.18 -3.11 0.09 0.00 -1.46 0.00 0.00 37.83 33.18 2kkz s LYS 108 CO 0.31 -0.52 0.67 -1.14 0.16 0.00 0.00 175.35 174.82 2kkz s GLN 109 N 1.29 3.06 -0.00 4.03 2.00 -1.26 -1.93 119.66 126.85 2kkz s GLN 109 Ca -0.03 -1.23 -0.01 0.00 -2.00 0.00 0.00 55.36 52.09 2kkz s GLN 109 Cb -0.18 -4.22 -0.04 0.00 0.80 0.00 0.00 33.01 29.36 2kkz s GLN 109 CO -0.02 -1.44 0.14 0.21 -0.50 0.00 0.00 175.29 173.67 2kkz s LYS 110 N 2.61 3.27 -0.06 1.67 2.47 -0.62 -5.04 119.74 124.03 2kkz s LYS 110 Ca 0.12 -0.41 0.02 0.00 -1.56 0.00 0.00 55.97 54.14 2kkz s LYS 110 Cb -0.23 -2.99 0.02 0.00 -1.46 0.00 0.00 37.83 33.17 2kkz s LYS 110 CO 0.07 0.66 -0.09 0.08 0.16 0.00 0.00 175.35 176.23 2kkz s VAL 111 N -1.29 0.89 -0.41 4.02 1.01 -1.26 -0.73 120.40 122.63 2kkz s VAL 111 Ca 0.26 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2kkz s VAL 111 Cb -0.12 -0.85 0.12 0.00 0.00 0.00 0.00 36.38 35.52 2kkz s VAL 111 CO 0.17 0.30 0.16 -0.70 0.00 0.00 0.00 175.10 175.03 2kkz s GLU 112 N 0.82 1.47 5.04 2.72 2.56 -0.61 -4.93 118.70 125.76 2kkz s GLU 112 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 54.97 52.85 2kkz s GLU 112 Cb -0.15 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.10 2kkz s GLU 112 CO 0.02 -1.04 0.00 0.41 -0.56 0.00 0.00 175.26 174.09 2kkz n GLY 113 N 3.87 0.98 0.67 -1.50 0.00 -1.26 -2.84 105.19 105.11 2kkz n GLY 113 Ca 0.04 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 12.46 1.40 -4.13 1.61 -0.04 -1.26 -4.81 135.00 140.23 2kkz n PRO 114 Ca 0.00 -0.33 -0.27 0.00 -0.04 0.00 0.00 63.50 62.86 2kkz n PRO 114 Cb 0.00 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 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 -0.29 1.44 -0.34 1.53 1.43 -1.13 -1.52 118.68 119.79 2kkz s LEU 115 Ca 0.06 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 2kkz s LEU 115 Cb 0.04 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.34 2kkz s LEU 115 CO 0.02 -0.06 0.86 0.00 0.23 0.00 0.00 176.35 177.39 2kkz s ILE 117 N 3.22 5.25 -0.27 0.00 -1.09 0.09 -1.31 121.20 127.10 2kkz s ILE 117 Ca 0.35 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 2kkz s ILE 117 Cb -0.13 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2kkz s ILE 117 CO 0.16 0.29 0.13 -0.13 -1.23 0.00 0.00 174.94 174.16 2kkz s ARG 118 N 1.49 3.79 -0.19 2.79 0.52 -0.12 -1.59 118.95 125.63 2kkz s ARG 118 Ca 0.07 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 54.85 2kkz s ARG 118 Cb -0.15 -3.50 -0.00 0.00 0.52 0.00 0.00 34.95 31.82 2kkz s ARG 118 CO 0.08 -0.19 -0.10 0.42 0.02 0.00 0.00 175.30 175.52 2kkz s ILE 119 N 1.69 2.95 -0.37 1.52 -1.09 -0.81 -3.13 121.20 121.95 2kkz s ILE 119 Ca 0.07 -0.65 -0.16 0.00 -2.23 0.00 0.00 60.65 57.68 2kkz s ILE 119 Cb -0.16 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2kkz s ILE 119 CO 0.07 0.47 0.39 -0.62 -1.23 0.00 0.00 174.94 174.03 2kkz s ASP 120 N 1.20 6.18 0.07 3.58 2.15 -0.86 -1.72 116.67 127.27 2kkz s ASP 120 Ca 0.02 -0.42 0.25 0.00 0.43 0.00 0.00 52.55 52.83 2kkz s ASP 120 Cb -0.14 -2.21 1.00 0.00 -0.30 0.00 0.00 42.92 41.27 2kkz s ASP 120 CO -0.04 -0.44 1.79 0.00 -0.17 0.00 0.00 175.17 176.31 2kkz n GLN 121 N 5.46 0.08 0.06 4.34 6.02 -1.03 -4.14 117.38 128.16 2kkz n GLN 121 Ca -0.08 0.14 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 2kkz n GLN 121 Cb 0.48 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 2kkz n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkz h ALA 122 N 2.73 -0.28 -2.02 -1.58 0.00 -1.93 -3.45 119.26 112.74 2kkz h ALA 122 Ca 0.00 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 2kkz h ALA 122 Cb 0.50 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kkz h ALA 122 CO 0.00 -0.26 1.09 0.42 0.00 0.00 0.00 179.25 180.50 2kkz s ILE 123 N -2.24 3.81 0.23 0.00 1.09 -1.26 -4.99 121.20 117.84 2kkz s ILE 123 Ca -0.03 0.91 0.02 0.00 -1.10 0.00 0.00 60.65 60.45 2kkz s ILE 123 Cb 0.00 -3.82 -0.05 0.00 -1.06 0.00 0.00 42.46 37.53 2kkz s ILE 123 CO 0.10 -0.34 0.04 -0.04 -0.10 0.00 0.00 174.94 174.60 2kkz s MET 124 N 4.54 1.33 -1.44 2.79 -1.94 -1.26 -4.91 119.30 118.40 2kkz s MET 124 Ca 0.67 -1.69 -0.10 0.00 -1.71 0.00 0.00 55.69 52.87 2kkz s MET 124 Cb -0.23 -0.41 0.05 0.00 2.01 0.00 0.00 34.83 36.25 2kkz s MET 124 CO 0.28 -0.19 0.99 -3.47 -0.01 0.00 0.00 175.02 172.61 2kkz n ASP 125 N -0.41 -4.45 -4.32 3.03 2.03 -1.14 -5.00 116.55 106.29 2kkz n ASP 125 Ca -0.03 -0.73 -0.23 0.00 0.52 0.00 0.00 54.79 54.32 2kkz n ASP 125 Cb 0.65 -4.22 -0.12 0.00 -0.72 0.00 0.00 41.12 36.71 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 -6.40 1.24 -0.53 -0.67 -0.14 -1.26 -4.96 119.74 107.02 2kkz s LYS 126 Ca 0.51 -1.33 -0.23 0.00 -1.36 0.00 0.00 55.97 53.56 2kkz s LYS 126 Cb -0.25 -1.38 0.04 0.00 -1.68 0.00 0.00 37.83 34.56 2kkz s LYS 126 CO 0.80 0.30 0.85 -0.80 -0.76 0.00 0.00 175.35 175.74 2kkz s ASN 127 N -2.41 6.33 -0.11 2.83 0.01 -1.26 -1.38 114.94 118.94 2kkz s ASN 127 Ca 0.13 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.82 2kkz s ASN 127 Cb -0.07 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2kkz s ASN 127 CO 0.06 -1.11 -0.02 -0.63 -1.51 0.00 0.00 177.10 173.89 2kkz s ILE 128 N 3.57 4.13 -0.06 0.60 1.01 0.00 -1.50 121.20 128.95 2kkz s ILE 128 Ca 0.27 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2kkz s ILE 128 Cb -0.14 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2kkz s ILE 128 CO 0.18 0.56 -0.17 -0.32 0.00 0.00 0.00 174.94 175.19 2kkz s MET 129 N -0.39 2.58 -0.30 2.79 1.75 -0.30 -1.74 119.30 123.69 2kkz s MET 129 Ca 0.07 -0.74 -0.18 0.00 -1.25 0.00 0.00 55.69 53.58 2kkz s MET 129 Cb -0.12 -2.35 -0.02 0.00 2.84 0.00 0.00 34.83 35.18 2kkz s MET 129 CO 0.02 0.54 0.53 -0.51 -0.65 0.00 0.00 175.02 174.95 2kkz s LEU 130 N -0.51 4.17 -0.12 4.11 2.01 -0.38 -2.24 118.68 125.72 2kkz s LEU 130 Ca 0.07 0.30 0.02 0.00 0.01 0.00 0.00 54.13 54.52 2kkz s LEU 130 Cb -0.12 -2.65 0.01 0.00 0.01 0.00 0.00 46.19 43.45 2kkz s LEU 130 CO 0.01 -0.39 -0.17 -0.54 1.01 0.00 0.00 176.35 176.27 2kkz s LYS 131 N 2.39 2.47 0.01 1.70 -0.14 -0.36 -2.93 119.74 122.87 2kkz s LYS 131 Ca 0.21 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 54.17 2kkz s LYS 131 Cb -0.15 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 33.93 2kkz s LYS 131 CO 0.11 -0.04 -0.04 0.00 -0.76 0.00 0.00 175.35 174.62 2kkz s ALA 132 N 0.91 0.33 -0.16 5.17 0.00 -1.26 -0.90 121.76 125.85 2kkz s ALA 132 Ca -0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2kkz s ALA 132 Cb -0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2kkz s ALA 132 CO -0.01 0.01 0.01 -0.80 0.00 0.00 0.00 175.76 174.97 2kkz s ASN 133 N -0.72 5.24 0.05 0.00 -0.87 -0.26 -3.38 114.94 114.98 2kkz s ASN 133 Ca -0.05 -0.00 -0.27 0.00 -1.57 0.00 0.00 52.86 50.97 2kkz s ASN 133 Cb -0.05 -1.85 0.08 0.00 -0.02 0.00 0.00 41.25 39.41 2kkz s ASN 133 CO -0.00 0.19 0.73 0.72 -2.57 0.00 0.00 177.10 176.17 2kkz s PHE 134 N 0.26 -0.49 0.36 2.20 -0.71 -1.14 -1.06 117.98 117.41 2kkz s PHE 134 Ca 0.01 0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 56.22 2kkz s PHE 134 Cb -0.13 0.52 -0.08 0.00 -1.21 0.00 0.00 43.02 42.12 2kkz s PHE 134 CO 0.02 -0.68 0.76 -1.54 -1.34 0.00 0.00 175.22 172.44 2kkz s SER 135 N -2.27 6.67 -0.03 1.98 1.04 -0.36 -0.95 113.70 119.79 2kkz s SER 135 Ca -0.00 1.24 0.07 0.00 0.48 0.00 0.00 55.95 57.73 2kkz s SER 135 Cb -0.01 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 2kkz s SER 135 CO -0.07 -0.30 -0.23 -0.69 0.98 0.00 0.00 173.24 172.93 2kkz s VAL 136 N -2.17 1.86 -0.05 5.02 1.01 0.36 -1.09 120.40 125.34 2kkz s VAL 136 Ca 0.53 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2kkz s VAL 136 Cb -0.10 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2kkz s VAL 136 CO 0.23 0.53 0.17 -0.51 0.00 0.00 0.00 175.10 175.52 2kkz s ILE 137 N -0.41 0.02 -1.72 2.22 1.10 -0.70 -3.09 121.20 118.61 2kkz s ILE 137 Ca 0.05 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.03 2kkz s ILE 137 Cb -0.10 -0.31 0.00 0.00 0.15 0.00 0.00 42.46 42.20 2kkz s ILE 137 CO 0.00 -0.09 0.00 0.49 -2.11 0.00 0.00 174.94 173.23 2kkz n PHE 138 N 2.60 0.00 -1.29 3.50 3.72 -1.26 -1.20 117.46 123.54 2kkz n PHE 138 Ca -0.15 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.19 2kkz n PHE 138 Cb 0.58 -3.13 -0.02 0.00 -0.94 0.00 0.00 39.48 35.97 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 -1.25 -3.64 -4.48 4.37 8.00 -1.26 -5.05 116.55 113.24 2kkz n ASP 139 Ca -0.16 0.14 -0.25 0.00 0.71 0.00 0.00 54.79 55.23 2kkz n ASP 139 Cb 0.64 -1.84 -0.10 0.00 -0.02 0.00 0.00 41.12 39.79 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 -2.74 1.84 -0.10 -1.24 1.70 -0.34 -4.22 118.95 113.86 2kkz s ARG 140 Ca 0.00 -2.06 -0.29 0.00 -0.47 0.00 0.00 55.73 52.90 2kkz s ARG 140 Cb 0.00 -1.10 -0.04 0.00 -0.57 0.00 0.00 34.95 33.24 2kkz s ARG 140 CO 0.00 -0.22 1.55 -1.17 -1.08 0.00 0.00 175.30 174.38 2kkz s LEU 141 N -3.61 4.25 -0.05 -1.89 0.20 -1.05 -1.73 118.68 114.81 2kkz s LEU 141 Ca 0.31 2.04 -0.01 0.00 0.69 0.00 0.00 54.13 57.16 2kkz s LEU 141 Cb 0.07 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.29 2kkz s LEU 141 CO 0.15 -0.91 -0.02 -0.08 -0.29 0.00 0.00 176.35 175.19 2kkz h GLU 142 N 9.30 0.00 -3.42 1.98 4.22 -1.39 -3.36 114.58 121.90 2kkz h GLU 142 Ca -0.35 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 58.82 2kkz h GLU 142 Cb 1.16 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.08 2kkz h GLU 142 CO 0.96 0.00 -0.67 0.99 -2.18 0.00 0.00 179.01 178.11 2kkz s THR 143 N -1.32 -0.05 -0.17 0.32 2.01 -1.23 -4.63 115.64 110.58 2kkz s THR 143 Ca -0.02 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 2kkz s THR 143 Cb 0.00 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 2kkz s THR 143 CO 0.03 0.08 1.14 -0.22 -0.69 0.00 0.00 174.62 174.96 2kkz s LEU 144 N 1.02 4.17 -0.07 4.42 2.96 -1.26 -1.22 118.68 128.70 2kkz s LEU 144 Ca -0.08 1.57 -0.20 0.00 -0.22 0.00 0.00 54.13 55.20 2kkz s LEU 144 Cb -0.11 -3.54 -0.30 0.00 0.50 0.00 0.00 46.19 42.74 2kkz s LEU 144 CO -0.04 -0.67 0.78 0.40 -1.32 0.00 0.00 176.35 175.50 2kkz h ILE 145 N 5.37 1.37 -1.61 6.68 5.03 -1.45 -3.44 117.51 129.44 2kkz h ILE 145 Ca -0.25 -2.49 0.06 0.00 -0.12 0.00 0.00 64.86 62.06 2kkz h ILE 145 Cb 1.10 3.05 -0.23 0.00 -3.03 0.00 0.00 36.82 37.71 2kkz h ILE 145 CO 0.95 0.70 0.50 -0.22 -0.68 0.00 0.00 178.15 179.40 2kkz s LEU 146 N -7.79 -0.41 0.08 1.44 2.96 -0.74 -4.61 118.68 109.60 2kkz s LEU 146 Ca -0.16 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 2kkz s LEU 146 Cb 0.02 1.94 -0.03 0.00 0.50 0.00 0.00 46.19 48.62 2kkz s LEU 146 CO 0.81 -0.35 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.11 2kkz s LEU 147 N -0.97 2.29 -0.02 -0.68 0.20 -0.74 -1.10 118.68 117.66 2kkz s LEU 147 Ca -0.02 -0.64 -0.04 0.00 0.69 0.00 0.00 54.13 54.12 2kkz s LEU 147 Cb -0.01 -0.61 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 2kkz s LEU 147 CO 0.02 -0.04 0.10 -0.60 -0.29 0.00 0.00 176.35 175.53 2kkz s ARG 148 N -1.81 0.24 -0.16 1.98 3.52 -0.08 -1.32 118.95 121.32 2kkz s ARG 148 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 2kkz s ARG 148 Cb -0.10 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.42 2kkz s ARG 148 CO 0.03 -0.04 -0.14 0.00 -0.81 0.00 0.00 175.30 174.34 2kkz s ALA 149 N -0.47 1.91 -0.04 6.12 0.00 -0.33 -1.23 121.76 127.72 2kkz s ALA 149 Ca -0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 2kkz s ALA 149 Cb -0.04 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2kkz s ALA 149 CO 0.00 -0.48 0.20 -0.59 0.00 0.00 0.00 175.76 174.89 2kkz s PHE 150 N 1.46 -0.13 1.14 0.00 -0.71 -0.95 -1.77 117.98 117.02 2kkz s PHE 150 Ca 0.04 0.29 -0.14 0.00 -1.04 0.00 0.00 56.93 56.07 2kkz s PHE 150 Cb -0.14 0.04 0.26 0.00 -1.21 0.00 0.00 43.02 41.97 2kkz s PHE 150 CO -0.10 -0.21 1.05 0.95 -1.34 0.00 0.00 175.22 175.57 2kkz s THR 151 N -0.58 1.89 0.39 -4.49 -4.23 -0.71 -1.15 115.64 106.76 2kkz s THR 151 Ca -0.07 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.75 2kkz s THR 151 Cb -0.04 -2.27 0.33 0.00 1.34 0.00 0.00 72.50 71.86 2kkz s THR 151 CO 0.01 0.00 2.09 -0.33 -0.54 0.00 0.00 174.62 175.86 2kkz h GLU 152 N -2.46 0.00 -0.00 3.99 4.39 -1.63 -1.48 114.58 117.39 2kkz h GLU 152 Ca -0.56 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 2kkz h GLU 152 Cb 1.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2kkz h GLU 152 CO 0.50 0.09 -0.30 0.93 -1.16 0.00 0.00 179.01 179.06 2kkz h GLU 153 N 0.00 0.00 0.00 2.33 5.08 -1.92 -3.47 114.58 116.61 2kkz h GLU 153 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kkz h GLU 153 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kkz h GLU 153 CO 0.01 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 178.74 2kkz n GLY 154 N -0.65 0.61 3.58 -3.84 0.00 -0.56 -5.07 105.19 99.26 2kkz n GLY 154 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 2.58 -0.18 4.61 0.00 -1.26 -4.66 121.76 120.85 2kkz s ALA 155 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 2kkz s ALA 155 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 23.12 18.96 2kkz s ALA 155 CO 0.00 -3.19 1.34 0.42 0.00 0.00 0.00 175.76 174.33 2kkz s ILE 156 N 7.62 4.13 -0.03 0.00 1.01 -1.26 -1.73 121.20 130.94 2kkz s ILE 156 Ca 0.70 1.35 0.05 0.00 0.00 0.00 0.00 60.65 62.74 2kkz s ILE 156 Cb -0.16 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.44 2kkz s ILE 156 CO 0.27 -0.19 0.91 1.33 0.00 0.00 0.00 174.94 177.26 2kkz n VAL 157 N 5.59 0.66 -3.53 2.92 0.24 -0.73 -4.51 118.33 118.97 2kkz n VAL 157 Ca 0.15 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.56 2kkz n VAL 157 Cb 0.45 0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 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 -1.19 -0.44 -0.25 7.63 0.00 -0.90 -2.03 107.32 110.14 2kkz s GLY 158 Ca 0.08 1.52 -0.26 0.00 0.00 0.00 0.00 44.72 46.06 2kkz s GLY 158 CO 0.01 0.87 0.85 1.85 0.00 0.00 0.00 173.10 176.67 2kkz s GLU 159 N -1.54 0.72 -0.38 2.90 2.12 -1.18 -1.19 118.70 120.14 2kkz s GLU 159 Ca -0.05 0.73 -0.03 0.00 0.36 0.00 0.00 54.97 55.98 2kkz s GLU 159 Cb -0.00 0.35 0.09 0.00 0.26 0.00 0.00 34.13 34.83 2kkz s GLU 159 CO 0.03 -0.11 0.16 0.42 -0.54 0.00 0.00 175.26 175.21 2kkz s ILE 160 N 0.08 3.27 -0.43 -3.70 1.01 -0.43 -0.94 121.20 120.05 2kkz s ILE 160 Ca 0.00 -1.85 -0.16 0.00 0.00 0.00 0.00 60.65 58.64 2kkz s ILE 160 Cb -0.04 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.32 2kkz s ILE 160 CO -0.01 -0.54 0.37 -0.55 0.00 0.00 0.00 174.94 174.22 2kkz s SER 161 N 1.68 6.15 0.27 3.58 0.15 -0.43 -1.79 113.70 123.32 2kkz s SER 161 Ca 0.05 -0.96 -0.31 0.00 0.70 0.00 0.00 55.95 55.43 2kkz s SER 161 Cb -0.22 -2.19 -0.12 0.00 -1.71 0.00 0.00 66.02 61.78 2kkz s SER 161 CO -0.03 -0.56 1.55 -0.81 1.20 0.00 0.00 173.24 174.60 2kkz n PRO 162 N 5.33 2.51 -2.17 5.44 -0.04 -1.26 -1.42 135.00 143.38 2kkz n PRO 162 Ca -0.10 0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 2kkz n PRO 162 Cb 0.46 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 2kkz n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 163 N -0.17 4.30 0.51 1.53 1.43 -0.58 -4.90 118.68 120.81 2kkz s LEU 163 Ca 0.66 2.11 0.35 0.00 -1.03 0.00 0.00 54.13 56.22 2kkz s LEU 163 Cb -0.54 -3.55 1.84 0.00 0.03 0.00 0.00 46.19 43.97 2kkz s LEU 163 CO 0.47 -0.80 2.06 1.55 0.23 0.00 0.00 176.35 179.87 2kkz h PRO 164 N 8.40 0.00 0.00 1.29 0.13 -1.92 -1.40 132.00 138.50 2kkz h PRO 164 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kkz h PRO 164 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kkz h PRO 164 CO 0.93 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.57 2kkz n SER 165 N -2.74 0.63 -4.01 1.44 3.41 -1.26 -4.45 113.62 106.65 2kkz n SER 165 Ca -0.02 0.63 -0.31 0.00 -0.26 0.00 0.00 58.87 58.91 2kkz n SER 165 Cb 0.08 -0.77 -0.15 0.00 -0.26 0.00 0.00 64.21 63.11 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kkz s PHE 166 N -3.24 3.61 0.15 7.33 0.40 -0.53 -5.02 117.98 120.68 2kkz s PHE 166 Ca 0.06 -2.88 -0.18 0.00 -0.60 0.00 0.00 56.93 53.33 2kkz s PHE 166 Cb 0.10 -2.78 0.04 0.00 0.51 0.00 0.00 43.02 40.89 2kkz s PHE 166 CO 0.43 -0.94 1.71 -1.35 0.70 0.00 0.00 175.22 175.77 2kkz h PRO 167 N 7.65 0.10 -5.90 0.24 0.11 -1.80 -3.44 132.00 128.96 2kkz h PRO 167 Ca -0.06 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.53 2kkz h PRO 167 Cb 1.02 -0.02 -0.18 0.00 0.11 0.00 0.00 31.00 31.93 2kkz h PRO 167 CO 0.51 0.07 -0.78 0.20 -0.21 0.00 0.00 178.00 177.79 2kkz s GLY 168 N -2.74 1.38 0.04 -0.55 0.00 -1.26 -5.04 107.32 99.16 2kkz s GLY 168 Ca -0.13 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 42.95 2kkz s GLY 168 CO 0.70 -1.54 0.33 -2.38 0.00 0.00 0.00 173.10 170.21 2kkz s HIS 169 N -2.08 -0.14 0.31 1.90 -3.43 -1.26 -5.09 115.29 105.50 2kkz s HIS 169 Ca 0.16 0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.33 2kkz s HIS 169 Cb -0.05 0.12 -0.08 0.00 -1.43 0.00 0.00 32.58 31.14 2kkz s HIS 169 CO 0.06 -0.52 0.68 0.95 -2.00 0.00 0.00 174.74 173.92 2kkz s THR 170 N -2.52 4.79 0.29 -5.38 -4.23 -1.26 -4.58 115.64 102.75 2kkz s THR 170 Ca -0.05 0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2kkz s THR 170 Cb -0.01 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.46 2kkz s THR 170 CO -0.03 -0.24 1.93 -0.29 -0.54 0.00 0.00 174.62 175.45 2kkz h ILE 171 N 1.73 1.14 -0.88 2.99 2.10 -1.82 -2.16 117.51 120.60 2kkz h ILE 171 Ca -0.47 -0.38 0.09 0.00 1.08 0.00 0.00 64.86 65.18 2kkz h ILE 171 Cb 1.18 -0.07 -0.07 0.00 -1.09 0.00 0.00 36.82 36.76 2kkz h ILE 171 CO 0.66 0.20 0.53 -0.33 -1.08 0.00 0.00 178.15 178.13 2kkz h GLU 172 N 1.11 0.87 -0.15 2.19 3.07 -1.92 -0.69 114.58 119.06 2kkz h GLU 172 Ca 0.36 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 2kkz h GLU 172 Cb 0.05 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 2kkz h GLU 172 CO -0.11 0.58 -0.04 0.22 -1.40 0.00 0.00 179.01 178.26 2kkz h ASP 173 N 0.90 0.29 -0.35 1.42 3.58 -1.84 -3.24 116.42 117.19 2kkz h ASP 173 Ca 0.42 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2kkz h ASP 173 Cb 0.34 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2kkz h ASP 173 CO -0.23 0.59 0.17 0.58 -2.88 0.00 0.00 179.24 177.47 2kkz h VAL 174 N -0.01 1.14 -0.44 2.25 2.07 -0.74 -1.43 116.25 119.10 2kkz h VAL 174 Ca 0.04 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2kkz h VAL 174 Cb 0.46 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2kkz h VAL 174 CO 0.01 0.17 0.23 0.11 0.02 0.00 0.00 177.57 178.12 2kkz h LYS 175 N 0.55 0.61 -0.12 1.57 1.57 -1.18 -0.36 116.57 119.21 2kkz h LYS 175 Ca 0.14 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2kkz h LYS 175 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2kkz h LYS 175 CO -0.02 0.46 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.36 2kkz h ASN 176 N 0.61 0.24 -0.56 0.86 2.35 -1.31 -1.17 115.58 116.61 2kkz h ASN 176 Ca 0.16 -0.40 0.04 0.00 -0.55 0.00 0.00 56.30 55.56 2kkz h ASN 176 Cb 0.03 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 2kkz h ASN 176 CO -0.03 0.59 0.30 0.00 -1.65 0.00 0.00 177.43 176.64 2kkz h ALA 177 N 0.67 0.73 -0.18 -0.83 0.00 -1.02 0.67 119.26 119.29 2kkz h ALA 177 Ca 0.03 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2kkz h ALA 177 Cb 0.49 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kkz h ALA 177 CO 0.02 -0.03 -0.62 0.82 0.00 0.00 0.00 179.25 179.43 2kkz h ILE 178 N 0.58 1.31 0.00 0.00 2.04 -1.14 -1.58 117.51 118.72 2kkz h ILE 178 Ca 0.24 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 2kkz h ILE 178 Cb 0.13 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2kkz h ILE 178 CO -0.15 0.59 -0.18 1.23 0.00 0.00 0.00 178.15 179.64 2kkz h GLY 179 N 0.92 0.00 1.07 5.37 0.00 -0.59 0.04 103.07 109.88 2kkz h GLY 179 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.97 2kkz h GLY 179 CO 0.12 0.00 -1.64 -2.08 0.00 0.00 0.00 176.54 172.94 2kkz h VAL 180 N 0.00 1.08 0.21 4.60 2.07 -0.77 -0.61 116.25 122.83 2kkz h VAL 180 Ca -0.00 -2.60 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 2kkz h VAL 180 Cb 0.38 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2kkz h VAL 180 CO 0.02 0.84 -0.16 0.25 0.02 0.00 0.00 177.57 178.54 2kkz h LEU 181 N 0.13 -0.42 -0.67 2.57 5.85 -1.03 0.95 115.31 122.67 2kkz h LEU 181 Ca -0.31 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2kkz h LEU 181 Cb 2.13 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 43.26 2kkz h LEU 181 CO 0.22 -0.25 0.43 0.40 -0.34 0.00 0.00 178.44 178.90 2kkz h ILE 182 N -0.38 1.13 -0.58 4.05 2.04 -1.13 -2.11 117.51 120.52 2kkz h ILE 182 Ca -0.01 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2kkz h ILE 182 Cb 0.34 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2kkz h ILE 182 CO -0.01 0.16 0.38 1.23 0.00 0.00 0.00 178.15 179.91 2kkz h GLY 183 N 0.86 0.74 1.54 5.37 0.00 -0.78 0.18 103.07 110.98 2kkz h GLY 183 Ca 0.26 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 2kkz h GLY 183 CO -0.08 0.21 -0.65 -1.33 0.00 0.00 0.00 176.54 174.69 2kkz h GLY 184 N 0.63 0.51 2.00 4.60 0.00 -0.46 -2.78 103.07 107.57 2kkz h GLY 184 Ca 0.24 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 2kkz h GLY 184 CO -0.07 0.59 -0.29 1.41 0.00 0.00 0.00 176.54 178.18 2kkz h LEU 185 N 0.34 0.00 -0.45 3.11 3.38 -0.62 -1.32 115.31 119.75 2kkz h LEU 185 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2kkz h LEU 185 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2kkz h LEU 185 CO 0.11 0.29 -0.51 -0.33 0.09 0.00 0.00 178.44 178.09 2kkz h GLU 186 N 0.00 0.71 -0.02 1.13 4.39 -0.53 -0.96 114.58 119.30 2kkz h GLU 186 Ca -0.00 -0.43 -0.16 0.00 0.34 0.00 0.00 59.36 59.11 2kkz h GLU 186 Cb 0.78 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 2kkz h GLU 186 CO 0.04 1.05 -0.71 0.00 -1.16 0.00 0.00 179.01 178.22 2kkz h ARG 187 N 0.55 0.13 0.00 2.33 3.08 -1.30 -1.96 114.38 117.22 2kkz h ARG 187 Ca 0.02 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2kkz h ARG 187 Cb 1.08 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2kkz h ARG 187 CO 0.11 0.79 0.00 0.09 -1.07 0.00 0.00 179.97 179.88 2kkz n ASN 188 N -3.75 0.71 -3.27 7.04 4.13 -0.51 -4.97 115.26 114.64 2kkz n ASN 188 Ca -0.02 0.64 -0.12 0.00 1.68 0.00 0.00 54.58 56.77 2kkz n ASN 188 Cb 0.69 -0.81 0.03 0.00 -1.54 0.00 0.00 39.78 38.16 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 -2.25 -6.84 -4.32 6.41 2.03 -0.42 -4.17 116.55 106.99 2kkz n ASP 189 Ca 0.03 -0.50 -0.17 0.00 0.52 0.00 0.00 54.79 54.67 2kkz n ASP 189 Cb 0.28 -4.77 -0.10 0.00 -0.72 0.00 0.00 41.12 35.81 2kkz n ASP 189 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kkz s ASN 190 N -3.21 1.71 -0.53 1.67 2.20 -0.85 -2.90 114.94 113.03 2kkz s ASN 190 Ca 0.24 -1.22 -0.23 0.00 -0.94 0.00 0.00 52.86 50.70 2kkz s ASN 190 Cb -0.05 0.03 0.04 0.00 -2.00 0.00 0.00 41.25 39.28 2kkz s ASN 190 CO 0.77 -0.53 0.87 -0.89 -2.94 0.00 0.00 177.10 174.38 2kkz s THR 191 N -3.47 4.50 0.01 0.54 2.01 -0.48 -4.70 115.64 114.05 2kkz s THR 191 Ca 0.28 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.36 2kkz s THR 191 Cb 0.06 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2kkz s THR 191 CO 0.08 -1.01 0.36 0.68 -0.69 0.00 0.00 174.62 174.04 2kkz s VAL 192 N 3.65 5.14 -0.08 3.82 -7.23 -1.26 -0.82 120.40 123.62 2kkz s VAL 192 Ca 0.28 0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 60.99 2kkz s VAL 192 Cb -0.13 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.21 2kkz s VAL 192 CO 0.19 0.48 0.18 -0.60 -0.31 0.00 0.00 175.10 175.04 2kkz s ARG 193 N -1.39 0.15 0.13 4.82 3.52 -0.71 -4.97 118.95 120.50 2kkz s ARG 193 Ca 0.26 0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 56.22 2kkz s ARG 193 Cb -0.15 -0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 2kkz s ARG 193 CO 0.14 -0.15 0.37 0.08 -0.81 0.00 0.00 175.30 174.93 2kkz s VAL 194 N 1.07 5.18 0.44 7.11 1.01 -1.26 -1.25 120.40 132.69 2kkz s VAL 194 Ca -0.08 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 2kkz s VAL 194 Cb -0.10 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2kkz s VAL 194 CO -0.06 0.07 1.24 -0.44 0.00 0.00 0.00 175.10 175.90 2kkz s SER 195 N -2.37 6.19 0.57 3.32 0.01 -1.15 -4.83 113.70 115.43 2kkz s SER 195 Ca 0.40 2.49 0.27 0.00 1.31 0.00 0.00 55.95 60.41 2kkz s SER 195 Cb -0.12 -2.62 1.69 0.00 0.21 0.00 0.00 66.02 65.18 2kkz s SER 195 CO 0.24 -0.92 2.23 0.11 0.41 0.00 0.00 173.24 175.31 2kkz h LYS 196 N 2.32 0.00 0.20 12.44 1.57 -1.98 0.22 116.57 131.35 2kkz h LYS 196 Ca -0.49 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2kkz h LYS 196 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2kkz h LYS 196 CO 0.61 0.01 -0.10 1.79 -0.57 0.00 0.00 179.45 181.19 2kkz h THR 197 N 0.00 0.89 0.00 -0.16 1.35 -1.99 -3.04 112.91 109.96 2kkz h THR 197 Ca -0.00 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 65.10 2kkz h THR 197 Cb 0.02 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2kkz h THR 197 CO 0.00 0.16 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.28 2kkz h LEU 198 N -0.65 0.00 -0.25 3.87 3.38 -1.44 -1.24 115.31 118.98 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 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kkz h LEU 198 CO 0.05 0.08 -0.19 1.56 0.09 0.00 0.00 178.44 180.02 2kkz h GLN 199 N 0.00 0.57 0.00 1.13 4.20 -0.62 0.17 115.11 120.56 2kkz h GLN 199 Ca -0.00 -0.28 -0.27 0.00 0.06 0.00 0.00 58.65 58.15 2kkz h GLN 199 Cb 0.21 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 2kkz h GLN 199 CO 0.01 0.86 -1.56 0.07 -0.67 0.00 0.00 178.83 177.54 2kkz h ARG 200 N 0.28 0.00 0.00 1.46 -0.00 -1.37 -2.42 114.38 112.34 2kkz h ARG 200 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.01 2kkz h ARG 200 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.70 2kkz h ARG 200 CO 0.05 0.60 -0.22 0.74 -0.00 0.00 0.00 179.97 181.14 2kkz h PHE 201 N 0.00 0.00 0.01 4.08 0.04 -1.34 -3.40 116.94 116.34 2kkz h PHE 201 Ca -0.23 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.16 2kkz h PHE 201 Cb 1.96 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.05 2kkz h PHE 201 CO 0.00 0.25 -2.39 0.00 -0.60 0.00 0.00 178.31 175.57 2kkz n ALA 202 N -3.02 1.40 -0.87 2.45 0.00 -0.48 -2.52 120.51 117.48 2kkz n ALA 202 Ca -0.05 -1.10 0.08 0.00 0.00 0.00 0.00 53.44 52.36 2kkz n ALA 202 Cb 0.18 -0.20 0.39 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.16 1.88 -1.26 0.00 -0.00 0.49 -4.74 117.44 110.66 2kkz n TRP 203 Ca -0.41 -0.72 -0.30 0.00 -0.00 0.00 0.00 57.50 56.07 2kkz n TRP 203 Cb 1.04 -0.45 0.12 0.00 -0.00 0.00 0.00 31.31 32.01 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 -0.92 1.64 -0.16 5.87 0.00 -0.91 -4.84 107.32 107.99 2kkz s GLY 204 Ca 0.53 0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 2kkz s GLY 204 CO 0.17 0.46 2.13 -1.26 0.00 0.00 0.00 173.10 174.60 2kkz n SER 205 N -3.72 3.39 -2.85 1.64 2.88 -1.26 -4.93 113.62 108.77 2kkz n SER 205 Ca 0.08 0.45 -0.15 0.00 -1.33 0.00 0.00 58.87 57.92 2kkz n SER 205 Cb 0.55 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 62.45 2kkz n SER 205 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kkz n SER 206 N 10.11 -0.87 -4.57 -3.46 2.88 -1.26 -5.09 113.62 111.36 2kkz n SER 206 Ca 0.28 -2.80 -0.40 0.00 -1.33 0.00 0.00 58.87 54.62 2kkz n SER 206 Cb 0.40 1.79 -0.03 0.00 -0.75 0.00 0.00 64.21 65.63 2kkz n SER 206 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2kkz s ASN 207 N -2.97 5.72 -0.99 -3.46 3.84 -1.26 -4.94 114.94 110.88 2kkz s ASN 207 Ca 0.31 0.37 -0.24 0.00 0.21 0.00 0.00 52.86 53.51 2kkz s ASN 207 Cb 0.01 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.11 2kkz s ASN 207 CO 0.22 -2.02 1.94 -1.61 -2.79 0.00 0.00 177.10 172.84 2kkz s GLU 208 N 6.22 2.54 0.07 0.43 0.41 -1.26 -4.94 118.70 122.17 2kkz s GLU 208 Ca 0.61 -0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 54.29 2kkz s GLU 208 Cb -0.13 -5.12 -0.09 0.00 -1.78 0.00 0.00 34.13 27.01 2kkz s GLU 208 CO 0.23 -3.57 1.83 1.21 -0.49 0.00 0.00 175.26 174.47 2kkz s ASN 209 N 7.53 6.49 -0.30 -0.19 2.47 -1.26 -4.97 114.94 124.71 2kkz s ASN 209 Ca 0.69 2.63 -0.12 0.00 0.42 0.00 0.00 52.86 56.49 2kkz s ASN 209 Cb -0.05 -2.55 0.12 0.00 -1.45 0.00 0.00 41.25 37.33 2kkz s ASN 209 CO 0.04 -1.00 0.71 -0.83 -3.72 0.00 0.00 177.10 172.30 2kkz s GLY 210 N 3.34 -0.61 0.09 1.21 0.00 -1.26 -4.84 107.32 105.24 2kkz s GLY 210 Ca 0.82 2.48 0.03 0.00 0.00 0.00 0.00 44.72 48.05 2kkz s GLY 210 CO 0.37 2.92 -0.09 1.09 0.00 0.00 0.00 173.10 177.39 2kkz s ARG 211 N 2.50 0.81 0.25 2.90 1.04 -1.26 -5.14 118.95 120.05 2kkz s ARG 211 Ca -0.07 -1.15 -0.30 0.00 -1.04 0.00 0.00 55.73 53.17 2kkz s ARG 211 Cb -0.09 -0.44 -0.10 0.00 -2.04 0.00 0.00 34.95 32.27 2kkz s ARG 211 CO -0.19 0.06 1.48 -2.14 -0.04 0.00 0.00 175.30 174.47 2kkz s PRO 212 N -2.87 4.24 0.68 3.89 0.02 -1.26 -4.99 135.00 134.71 2kkz s PRO 212 Ca 0.05 2.36 -0.17 0.00 0.02 0.00 0.00 61.00 63.26 2kkz s PRO 212 Cb -0.02 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.41 2kkz s PRO 212 CO -0.01 -0.47 1.25 -2.14 -0.33 0.00 0.00 177.00 175.30 2kkz s PRO 213 N -0.29 2.41 -0.71 5.54 0.02 -1.26 -4.90 135.00 135.81 2kkz s PRO 213 Ca 0.61 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 63.30 2kkz s PRO 213 Cb -0.43 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 2kkz s PRO 213 CO 0.43 -1.67 1.91 -0.51 -0.33 0.00 0.00 177.00 176.83 2kkz s LEU 214 N -4.65 3.24 0.50 -5.54 1.43 -1.26 -4.97 118.68 107.44 2kkz s LEU 214 Ca 0.79 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 2kkz s LEU 214 Cb -0.34 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 2kkz s LEU 214 CO 0.41 -2.53 1.12 0.42 0.23 0.00 0.00 176.35 176.00 2kkz s THR 215 N 9.56 3.27 0.19 5.49 -4.23 -1.26 -5.03 115.64 123.63 2kkz s THR 215 Ca 0.69 0.84 -0.20 0.00 -1.18 0.00 0.00 61.69 61.84 2kkz s THR 215 Cb -0.11 -3.37 -0.08 0.00 1.34 0.00 0.00 72.50 70.28 2kkz s THR 215 CO 0.13 -0.12 0.70 -0.76 -0.54 0.00 0.00 174.62 174.03 2kkz s LEU 216 N -3.49 4.42 0.00 4.79 1.43 -1.26 -5.32 118.68 119.25 2kkz s LEU 216 Ca 0.69 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2kkz s LEU 216 Cb -0.24 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2kkz s LEU 216 CO 0.28 0.10 0.35 -1.84 0.23 0.00 0.00 176.35 175.47