#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz s PRO 85 N 0.00 1.35 -0.50 2.12 0.05 -1.26 -5.00 135.00 131.76 2kkz s PRO 85 Ca 0.00 -0.72 -0.27 0.00 0.05 0.00 0.00 61.00 60.06 2kkz s PRO 85 Cb 0.00 -2.12 -0.04 0.00 0.05 0.00 0.00 34.50 32.38 2kkz s PRO 85 CO 0.00 -1.79 2.11 0.00 0.05 0.00 0.00 177.00 177.37 2kkz s ALA 86 N -3.44 2.05 0.01 8.56 0.00 -1.26 -4.95 121.76 122.73 2kkz s ALA 86 Ca 0.68 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.51 2kkz s ALA 86 Cb -0.05 -4.28 -0.01 0.00 0.00 0.00 0.00 23.12 18.78 2kkz s ALA 86 CO 0.48 -3.93 -0.12 0.45 0.00 0.00 0.00 175.76 172.64 2kkz s SER 87 N 9.64 1.37 -0.07 0.00 0.15 -1.26 -3.03 113.70 120.49 2kkz s SER 87 Ca 0.84 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.91 2kkz s SER 87 Cb -0.17 -0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.08 2kkz s SER 87 CO 0.25 0.08 0.63 -0.60 1.20 0.00 0.00 173.24 174.81 2kkz s ARG 88 N -0.60 0.98 -0.41 5.44 3.52 -1.08 -4.98 118.95 121.81 2kkz s ARG 88 Ca 0.03 0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.75 2kkz s ARG 88 Cb -0.06 0.46 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 2kkz s ARG 88 CO 0.00 -0.28 0.35 0.71 -0.81 0.00 0.00 175.30 175.26 2kkz s TYR 89 N -1.03 3.21 -0.23 5.12 2.02 -1.26 -0.00 117.35 125.18 2kkz s TYR 89 Ca -0.10 -0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 55.83 2kkz s TYR 89 Cb -0.01 -2.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.86 2kkz s TYR 89 CO 0.08 -0.61 1.17 0.42 -1.57 0.00 0.00 175.55 175.05 2kkz s ILE 90 N 1.85 4.41 -1.02 2.71 -1.09 0.52 -4.95 121.20 123.63 2kkz s ILE 90 Ca 0.08 1.68 -0.02 0.00 -2.23 0.00 0.00 60.65 60.16 2kkz s ILE 90 Cb -0.18 -4.18 0.31 0.00 -1.58 0.00 0.00 42.46 36.83 2kkz s ILE 90 CO 0.11 -0.25 1.46 0.35 -1.23 0.00 0.00 174.94 175.38 2kkz n THR 91 N 5.56 5.14 0.20 2.92 -2.24 -1.26 -1.74 114.28 122.86 2kkz n THR 91 Ca 0.13 -5.88 0.07 0.00 -2.27 0.00 0.00 64.05 56.10 2kkz n THR 91 Cb 0.46 -1.97 0.35 0.00 -2.10 0.00 0.00 70.33 67.07 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 5.03 0.00 -3.12 3.42 3.58 -1.93 -3.39 116.42 120.01 2kkz h ASP 92 Ca 0.26 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 57.11 2kkz h ASP 92 Cb 0.56 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2kkz h ASP 92 CO 1.25 0.33 -0.19 -0.04 -2.88 0.00 0.00 179.24 177.71 2kkz s MET 93 N -3.56 4.06 0.91 0.28 -1.94 -1.26 -4.76 119.30 113.03 2kkz s MET 93 Ca 0.01 0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 54.29 2kkz s MET 93 Cb 0.10 -3.29 0.14 0.00 2.01 0.00 0.00 34.83 33.79 2kkz s MET 93 CO 0.67 0.53 1.09 0.95 -0.01 0.00 0.00 175.02 178.26 2kkz s THR 94 N -0.58 2.62 0.37 2.05 -4.23 -1.26 -4.80 115.64 109.81 2kkz s THR 94 Ca 0.24 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 2kkz s THR 94 Cb -0.16 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.41 2kkz s THR 94 CO 0.12 -0.26 1.95 0.40 -0.54 0.00 0.00 174.62 176.29 2kkz h ILE 95 N -1.64 0.99 -0.81 2.99 1.08 -1.98 0.61 117.51 118.74 2kkz h ILE 95 Ca -0.49 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 2kkz h ILE 95 Cb 1.28 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.20 2kkz h ILE 95 CO 0.51 0.13 0.52 -0.33 -0.69 0.00 0.00 178.15 178.30 2kkz h GLU 96 N 0.71 1.00 0.06 2.37 4.39 -1.93 -1.14 114.58 120.03 2kkz h GLU 96 Ca 0.32 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.71 2kkz h GLU 96 Cb 0.34 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2kkz h GLU 96 CO -0.11 0.66 -1.07 0.93 -1.16 0.00 0.00 179.01 178.26 2kkz h GLU 97 N 1.03 0.39 -0.74 2.33 4.39 -1.68 -1.95 114.58 118.34 2kkz h GLU 97 Ca 0.32 -0.49 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 2kkz h GLU 97 Cb -0.02 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2kkz h GLU 97 CO -0.10 1.17 0.23 1.25 -1.16 0.00 0.00 179.01 180.40 2kkz h LEU 98 N 0.18 1.07 -3.22 1.33 6.46 -0.73 -2.97 115.31 117.44 2kkz h LEU 98 Ca -0.11 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.41 2kkz h LEU 98 Cb 1.74 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 2kkz h LEU 98 CO 0.18 1.00 -0.02 -0.24 -0.62 0.00 0.00 178.44 178.74 2kkz n SER 99 N -4.26 3.27 -4.76 1.25 2.88 -0.45 -5.04 113.62 106.51 2kkz n SER 99 Ca 0.06 -3.20 -0.41 0.00 -1.33 0.00 0.00 58.87 53.99 2kkz n SER 99 Cb 0.23 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.93 4.32 0.16 -1.46 3.52 -0.73 -4.98 118.95 116.83 2kkz s ARG 100 Ca 0.41 2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 57.95 2kkz s ARG 100 Cb 0.34 -3.09 -0.07 0.00 -1.56 0.00 0.00 34.95 30.57 2kkz s ARG 100 CO 0.06 -0.30 0.99 0.34 -0.81 0.00 0.00 175.30 175.58 2kkz s ASP 101 N -0.06 7.48 0.20 -2.12 2.15 -1.26 -5.04 116.67 118.02 2kkz s ASP 101 Ca 0.54 1.89 -0.18 0.00 0.43 0.00 0.00 52.55 55.23 2kkz s ASP 101 Cb -0.40 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 39.65 2kkz s ASP 101 CO 0.48 -0.05 0.54 -1.66 -0.17 0.00 0.00 175.17 174.31 2kkz s TRP 102 N -0.33 -0.13 0.04 -5.34 1.48 -1.26 -4.87 118.94 108.52 2kkz s TRP 102 Ca 0.46 -0.21 0.02 0.00 -1.06 0.00 0.00 56.10 55.31 2kkz s TRP 102 Cb -0.25 0.42 -0.02 0.00 -1.16 0.00 0.00 33.47 32.45 2kkz s TRP 102 CO 0.31 -0.93 -0.07 -0.59 -4.06 0.00 0.00 176.95 171.61 2kkz s PHE 103 N -3.87 0.57 -0.06 1.66 -0.71 -1.26 -5.09 117.98 109.21 2kkz s PHE 103 Ca 0.09 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 2kkz s PHE 103 Cb -0.01 -0.35 0.02 0.00 -1.21 0.00 0.00 43.02 41.46 2kkz s PHE 103 CO -0.02 -0.10 -0.11 0.00 -1.34 0.00 0.00 175.22 173.64 2kkz s MET 104 N -1.49 1.54 0.09 1.99 0.23 -1.26 -4.86 119.30 115.54 2kkz s MET 104 Ca -0.11 -0.35 0.22 0.00 -1.03 0.00 0.00 55.69 54.42 2kkz s MET 104 Cb -0.10 -1.31 -0.14 0.00 -1.53 0.00 0.00 34.83 31.75 2kkz s MET 104 CO 0.00 -0.00 0.80 1.47 -2.03 0.00 0.00 175.02 175.26 2kkz n LEU 105 N 3.88 0.47 -3.43 0.18 -0.00 -1.26 -4.49 117.00 112.35 2kkz n LEU 105 Ca -0.23 0.15 -0.26 0.00 -0.00 0.00 0.00 56.01 55.67 2kkz n LEU 105 Cb 0.51 -0.04 -0.09 0.00 -0.00 0.00 0.00 43.42 43.81 2kkz n LEU 105 CO 0.25 -0.08 -0.08 0.23 -0.00 0.00 0.00 177.39 177.71 2kkz n MET 106 N -2.42 1.71 -2.15 1.47 2.81 -1.26 -5.04 117.12 112.23 2kkz n MET 106 Ca -0.02 -4.11 -0.43 0.00 -1.81 0.00 0.00 57.70 51.34 2kkz n MET 106 Cb 0.55 -1.92 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 2kkz n MET 106 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2kkz s PRO 107 N -1.74 3.48 -0.31 0.03 0.02 -1.26 -2.18 135.00 133.03 2kkz s PRO 107 Ca 0.36 1.25 -0.27 0.00 0.02 0.00 0.00 61.00 62.36 2kkz s PRO 107 Cb 0.12 -4.11 0.01 0.00 0.02 0.00 0.00 34.50 30.53 2kkz s PRO 107 CO -0.08 -1.68 0.95 0.21 -0.33 0.00 0.00 177.00 176.07 2kkz s LYS 108 N 5.27 4.04 -0.65 5.54 2.47 -0.34 -4.99 119.74 131.07 2kkz s LYS 108 Ca 0.71 0.89 -0.27 0.00 -1.56 0.00 0.00 55.97 55.74 2kkz s LYS 108 Cb -0.19 -3.72 0.02 0.00 -1.46 0.00 0.00 37.83 32.47 2kkz s LYS 108 CO 0.33 -0.78 1.40 -1.14 0.16 0.00 0.00 175.35 175.32 2kkz s GLN 109 N 3.31 3.17 -0.03 4.03 -0.44 -1.26 -3.92 119.66 124.53 2kkz s GLN 109 Ca 0.40 0.16 0.01 0.00 -2.50 0.00 0.00 55.36 53.42 2kkz s GLN 109 Cb -0.13 -4.18 0.02 0.00 -1.64 0.00 0.00 33.01 27.08 2kkz s GLN 109 CO 0.13 -2.12 -0.01 0.21 0.50 0.00 0.00 175.29 174.00 2kkz s LYS 110 N 5.78 0.40 -0.01 1.67 2.47 -1.26 -5.11 119.74 123.68 2kkz s LYS 110 Ca 0.46 0.02 0.02 0.00 -1.56 0.00 0.00 55.97 54.91 2kkz s LYS 110 Cb -0.10 -0.53 -0.00 0.00 -1.46 0.00 0.00 37.83 35.74 2kkz s LYS 110 CO 0.20 -0.11 -0.07 0.08 0.16 0.00 0.00 175.35 175.62 2kkz s VAL 111 N 0.91 0.56 -0.31 4.02 1.01 -1.26 -0.92 120.40 124.41 2kkz s VAL 111 Ca -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2kkz s VAL 111 Cb -0.13 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 35.84 2kkz s VAL 111 CO -0.01 0.17 0.02 -0.70 0.00 0.00 0.00 175.10 174.58 2kkz s GLU 112 N 0.04 1.42 7.68 2.72 2.56 -0.17 -4.91 118.70 128.05 2kkz s GLU 112 Ca -0.00 -1.48 0.00 0.00 0.00 0.00 0.00 54.97 53.49 2kkz s GLU 112 Cb -0.05 -2.80 0.00 0.00 2.00 0.00 0.00 34.13 33.28 2kkz s GLU 112 CO -0.00 -0.85 0.00 0.41 -0.56 0.00 0.00 175.26 174.26 2kkz n GLY 113 N 4.48 3.15 0.63 -1.50 0.00 -1.26 -2.31 105.19 108.37 2kkz n GLY 113 Ca -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 13.38 1.81 -4.43 1.61 -0.04 -1.26 -4.83 135.00 141.24 2kkz n PRO 114 Ca 0.00 -0.91 -0.22 0.00 -0.04 0.00 0.00 63.50 62.33 2kkz n PRO 114 Cb 0.00 -1.40 -0.16 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.95 1.57 0.11 1.53 1.43 -0.98 -1.76 118.68 119.64 2kkz s LEU 115 Ca 0.16 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 52.78 2kkz s LEU 115 Cb 0.10 -0.67 -0.07 0.00 0.03 0.00 0.00 46.19 45.58 2kkz s LEU 115 CO 0.09 0.01 0.80 0.00 0.23 0.00 0.00 176.35 177.47 2kkz s ILE 117 N -0.59 4.43 -0.08 0.00 -1.09 -0.10 -1.86 121.20 121.91 2kkz s ILE 117 Ca 0.38 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2kkz s ILE 117 Cb -0.22 -3.18 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 2kkz s ILE 117 CO 0.25 0.03 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.79 2kkz s ARG 118 N -2.66 1.36 -0.08 2.79 1.81 0.83 -4.12 118.95 118.88 2kkz s ARG 118 Ca 0.29 -0.23 -0.00 0.00 -1.72 0.00 0.00 55.73 54.07 2kkz s ARG 118 Cb -0.11 -1.35 0.02 0.00 -0.45 0.00 0.00 34.95 33.07 2kkz s ARG 118 CO 0.22 -0.16 -0.05 0.42 -0.68 0.00 0.00 175.30 175.05 2kkz s ILE 119 N 1.32 0.73 -0.25 1.52 1.01 -1.25 -2.49 121.20 121.80 2kkz s ILE 119 Ca -0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 2kkz s ILE 119 Cb -0.14 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2kkz s ILE 119 CO -0.03 0.31 0.44 -0.62 0.00 0.00 0.00 174.94 175.04 2kkz s ASP 120 N 1.55 6.38 0.00 3.58 2.15 -0.38 -1.20 116.67 128.76 2kkz s ASP 120 Ca 0.00 0.45 0.28 0.00 0.43 0.00 0.00 52.55 53.71 2kkz s ASP 120 Cb -0.13 -2.25 1.06 0.00 -0.30 0.00 0.00 42.92 41.30 2kkz s ASP 120 CO -0.05 -0.20 1.78 0.00 -0.17 0.00 0.00 175.17 176.53 2kkz n GLN 121 N 5.19 0.28 -0.04 4.34 6.02 -0.93 -3.96 117.38 128.28 2kkz n GLN 121 Ca -0.06 -0.09 -0.19 0.00 -0.01 0.00 0.00 57.00 56.65 2kkz n GLN 121 Cb 0.50 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.13 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 3.25 0.09 -1.55 -1.58 0.00 -1.94 -3.44 119.26 114.09 2kkz h ALA 122 Ca 0.00 -0.85 -0.52 0.00 0.00 0.00 0.00 54.91 53.54 2kkz h ALA 122 Cb 0.44 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2kkz h ALA 122 CO 0.00 0.44 1.27 0.42 0.00 0.00 0.00 179.25 181.38 2kkz s ILE 123 N -2.35 3.49 0.36 0.00 1.09 -1.25 -4.96 121.20 117.58 2kkz s ILE 123 Ca -0.21 0.36 0.05 0.00 -1.10 0.00 0.00 60.65 59.75 2kkz s ILE 123 Cb 0.02 -4.08 -0.07 0.00 -1.06 0.00 0.00 42.46 37.26 2kkz s ILE 123 CO 0.71 -0.97 0.04 -0.04 -0.10 0.00 0.00 174.94 174.58 2kkz s MET 124 N 6.42 1.79 -0.18 2.79 -1.94 -1.26 -4.86 119.30 122.06 2kkz s MET 124 Ca 0.63 -2.01 0.00 0.00 -1.71 0.00 0.00 55.69 52.61 2kkz s MET 124 Cb -0.13 -1.20 0.00 0.00 2.01 0.00 0.00 34.83 35.50 2kkz s MET 124 CO 0.23 -0.13 0.00 -0.25 -0.01 0.00 0.00 175.02 174.86 2kkz n ASP 125 N -0.82 -4.39 -4.94 3.03 9.92 -0.53 -4.99 116.55 113.82 2kkz n ASP 125 Ca -0.04 0.04 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 2kkz n ASP 125 Cb 0.67 -2.04 -0.03 0.00 -0.64 0.00 0.00 41.12 39.08 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kkz s LYS 126 N -1.27 3.38 -0.47 -1.24 -0.14 -1.26 -4.86 119.74 113.89 2kkz s LYS 126 Ca 0.00 -0.68 -0.22 0.00 -1.36 0.00 0.00 55.97 53.70 2kkz s LYS 126 Cb 0.00 -2.90 0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2kkz s LYS 126 CO 0.00 0.49 0.75 -0.80 -0.76 0.00 0.00 175.35 175.02 2kkz s ASN 127 N -3.48 6.35 -0.08 2.83 0.01 -1.26 -0.73 114.94 118.59 2kkz s ASN 127 Ca 0.34 -0.30 0.01 0.00 -0.71 0.00 0.00 52.86 52.20 2kkz s ASN 127 Cb -0.10 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2kkz s ASN 127 CO 0.28 -0.92 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.21 2kkz s ILE 128 N 3.17 3.33 -0.11 0.60 1.01 -0.73 -2.27 121.20 126.21 2kkz s ILE 128 Ca 0.26 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2kkz s ILE 128 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 2kkz s ILE 128 CO 0.20 0.57 -0.13 -0.32 0.00 0.00 0.00 174.94 175.26 2kkz s MET 129 N -0.47 3.15 -0.56 2.79 -2.45 -0.18 -1.68 119.30 119.90 2kkz s MET 129 Ca 0.06 -0.68 -0.20 0.00 -1.25 0.00 0.00 55.69 53.63 2kkz s MET 129 Cb -0.12 -2.57 0.08 0.00 1.25 0.00 0.00 34.83 33.46 2kkz s MET 129 CO 0.02 0.33 0.72 -0.51 1.05 0.00 0.00 175.02 176.63 2kkz s LEU 130 N 0.04 5.02 -0.04 4.11 2.01 -0.81 -2.59 118.68 126.42 2kkz s LEU 130 Ca -0.04 -1.11 -0.01 0.00 0.01 0.00 0.00 54.13 52.98 2kkz s LEU 130 Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 46.19 43.61 2kkz s LEU 130 CO 0.04 -1.08 0.04 -0.54 1.01 0.00 0.00 176.35 175.83 2kkz s LYS 131 N 2.92 3.01 -0.08 1.70 -0.14 -0.96 -1.09 119.74 125.10 2kkz s LYS 131 Ca 0.15 -0.46 -0.06 0.00 -1.36 0.00 0.00 55.97 54.24 2kkz s LYS 131 Cb -0.21 -2.82 0.03 0.00 -1.68 0.00 0.00 37.83 33.15 2kkz s LYS 131 CO 0.10 0.67 0.21 0.00 -0.76 0.00 0.00 175.35 175.56 2kkz s ALA 132 N -1.06 -0.49 -0.28 5.17 0.00 -1.26 -1.15 121.76 122.68 2kkz s ALA 132 Ca 0.19 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.62 2kkz s ALA 132 Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2kkz s ALA 132 CO 0.09 -0.13 0.65 -0.80 0.00 0.00 0.00 175.76 175.57 2kkz s ASN 133 N 0.49 6.55 0.07 0.00 -0.87 0.21 -3.44 114.94 117.96 2kkz s ASN 133 Ca -0.03 0.59 -0.11 0.00 -1.57 0.00 0.00 52.86 51.74 2kkz s ASN 133 Cb -0.05 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.85 2kkz s ASN 133 CO -0.02 -0.44 0.25 0.72 -2.57 0.00 0.00 177.10 175.04 2kkz s PHE 134 N 2.59 0.02 0.50 2.20 -0.71 -0.71 -1.54 117.98 120.32 2kkz s PHE 134 Ca 0.26 -0.31 -0.06 0.00 -1.04 0.00 0.00 56.93 55.79 2kkz s PHE 134 Cb -0.15 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 2kkz s PHE 134 CO 0.10 -0.53 0.82 0.45 -1.34 0.00 0.00 175.22 174.72 2kkz s SER 135 N -2.47 6.23 0.02 1.98 0.15 -0.37 -0.36 113.70 118.88 2kkz s SER 135 Ca -0.00 0.97 0.03 0.00 0.70 0.00 0.00 55.95 57.65 2kkz s SER 135 Cb 0.02 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 2kkz s SER 135 CO -0.08 -0.63 -0.08 -0.69 1.20 0.00 0.00 173.24 172.96 2kkz s VAL 136 N -2.80 0.63 -0.13 4.45 1.01 0.99 -0.79 120.40 123.76 2kkz s VAL 136 Ca 0.48 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2kkz s VAL 136 Cb -0.10 -0.59 0.04 0.00 0.00 0.00 0.00 36.38 35.73 2kkz s VAL 136 CO 0.46 -0.03 0.37 -0.51 0.00 0.00 0.00 175.10 175.38 2kkz s ILE 137 N -0.63 0.00 -1.59 2.22 1.10 -0.50 -2.64 121.20 119.17 2kkz s ILE 137 Ca -0.01 -0.04 -0.02 0.00 -0.51 0.00 0.00 60.65 60.07 2kkz s ILE 137 Cb -0.06 -0.53 0.01 0.00 0.15 0.00 0.00 42.46 42.03 2kkz s ILE 137 CO 0.00 -0.02 0.20 0.49 -2.11 0.00 0.00 174.94 173.50 2kkz n PHE 138 N 2.73 -1.38 -1.81 3.50 3.72 -1.17 -1.62 117.46 121.42 2kkz n PHE 138 Ca -0.14 0.17 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 2kkz n PHE 138 Cb 0.57 -3.88 -0.05 0.00 -0.94 0.00 0.00 39.48 35.18 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 -2.14 -4.94 -4.29 4.37 8.00 -1.26 -5.00 116.55 111.28 2kkz n ASP 139 Ca -0.18 0.24 -0.15 0.00 0.71 0.00 0.00 54.79 55.40 2kkz n ASP 139 Cb 0.65 -3.95 -0.10 0.00 -0.02 0.00 0.00 41.12 37.69 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 -3.97 1.25 0.08 -1.24 1.70 -0.64 -4.64 118.95 111.48 2kkz s ARG 140 Ca 0.00 -1.62 -0.31 0.00 -0.47 0.00 0.00 55.73 53.33 2kkz s ARG 140 Cb 0.00 -0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 33.87 2kkz s ARG 140 CO 0.00 -0.13 1.58 -1.17 -1.08 0.00 0.00 175.30 174.50 2kkz s LEU 141 N -3.25 4.36 0.00 -1.89 0.20 -0.90 -1.41 118.68 115.79 2kkz s LEU 141 Ca 0.27 2.44 0.00 0.00 0.69 0.00 0.00 54.13 57.54 2kkz s LEU 141 Cb 0.06 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 2kkz s LEU 141 CO 0.07 -0.84 0.00 1.21 -0.29 0.00 0.00 176.35 176.51 2kkz n GLU 142 N 5.18 0.00 -3.77 1.98 2.13 0.03 -4.28 120.64 121.92 2kkz n GLU 142 Ca 0.15 0.27 -0.18 0.00 0.66 0.00 0.00 57.16 58.06 2kkz n GLU 142 Cb 0.41 -0.76 -0.17 0.00 0.27 0.00 0.00 31.44 31.19 2kkz n GLU 142 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2kkz s THR 143 N -0.60 0.01 0.16 6.31 2.01 -1.24 -3.29 115.64 119.00 2kkz s THR 143 Ca 0.00 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2kkz s THR 143 Cb 0.00 -0.18 -0.08 0.00 0.01 0.00 0.00 72.50 72.25 2kkz s THR 143 CO 0.00 0.15 1.30 -0.22 -0.69 0.00 0.00 174.62 175.15 2kkz s LEU 144 N 1.52 4.41 -0.19 4.42 2.96 -1.26 -1.24 118.68 129.30 2kkz s LEU 144 Ca -0.03 2.31 -0.19 0.00 -0.22 0.00 0.00 54.13 56.00 2kkz s LEU 144 Cb -0.13 -3.60 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 2kkz s LEU 144 CO -0.03 -0.53 0.15 0.40 -1.32 0.00 0.00 176.35 175.03 2kkz h ILE 145 N 3.95 0.74 -1.77 6.68 5.03 -1.63 -3.45 117.51 127.06 2kkz h ILE 145 Ca -0.44 -1.91 0.02 0.00 -0.12 0.00 0.00 64.86 62.41 2kkz h ILE 145 Cb 1.21 1.75 -0.23 0.00 -3.03 0.00 0.00 36.82 36.52 2kkz h ILE 145 CO 0.79 0.25 0.33 -0.22 -0.68 0.00 0.00 178.15 178.63 2kkz s LEU 146 N -7.98 -0.56 -0.01 1.44 2.96 -0.65 -4.46 118.68 109.41 2kkz s LEU 146 Ca -0.25 0.98 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2kkz s LEU 146 Cb 0.04 2.15 -0.01 0.00 0.50 0.00 0.00 46.19 48.87 2kkz s LEU 146 CO 0.50 -0.26 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.93 2kkz s LEU 147 N -0.05 2.00 -0.04 -0.68 0.20 -0.25 -0.62 118.68 119.25 2kkz s LEU 147 Ca -0.00 -0.22 -0.02 0.00 0.69 0.00 0.00 54.13 54.58 2kkz s LEU 147 Cb -0.04 -0.62 0.03 0.00 -0.43 0.00 0.00 46.19 45.12 2kkz s LEU 147 CO -0.01 0.14 0.08 -0.13 -0.29 0.00 0.00 176.35 176.14 2kkz s ARG 148 N -0.24 0.04 -0.14 1.98 0.52 -0.30 -0.84 118.95 119.96 2kkz s ARG 148 Ca 0.04 0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.48 2kkz s ARG 148 Cb -0.05 -0.15 -0.00 0.00 0.52 0.00 0.00 34.95 35.27 2kkz s ARG 148 CO -0.00 -0.12 -0.16 0.00 0.02 0.00 0.00 175.30 175.03 2kkz s ALA 149 N 0.82 2.46 0.17 2.13 0.00 -0.28 -2.25 121.76 124.80 2kkz s ALA 149 Ca -0.07 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 2kkz s ALA 149 Cb -0.09 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2kkz s ALA 149 CO -0.03 0.05 0.19 -0.59 0.00 0.00 0.00 175.76 175.38 2kkz s PHE 150 N 0.68 0.72 0.87 0.00 -0.12 -1.07 -1.57 117.98 117.49 2kkz s PHE 150 Ca -0.08 -1.06 -0.12 0.00 -0.05 0.00 0.00 56.93 55.62 2kkz s PHE 150 Cb -0.16 -0.29 0.15 0.00 -0.63 0.00 0.00 43.02 42.09 2kkz s PHE 150 CO 0.02 -0.66 1.21 0.95 -0.05 0.00 0.00 175.22 176.69 2kkz s THR 151 N -4.04 2.05 0.53 -4.49 -4.23 -0.99 -1.01 115.64 103.46 2kkz s THR 151 Ca 0.25 -0.11 0.21 0.00 -1.18 0.00 0.00 61.69 60.86 2kkz s THR 151 Cb 0.05 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.29 2kkz s THR 151 CO 0.04 0.00 2.08 -0.33 -0.54 0.00 0.00 174.62 175.87 2kkz h GLU 152 N -1.24 0.00 0.00 3.99 4.39 -1.82 -1.16 114.58 118.73 2kkz h GLU 152 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2kkz h GLU 152 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2kkz h GLU 152 CO 0.47 0.00 0.00 0.93 -1.16 0.00 0.00 179.01 179.25 2kkz h GLU 153 N 0.00 0.00 0.00 2.33 3.07 -1.93 -3.46 114.58 114.59 2kkz h GLU 153 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2kkz h GLU 153 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2kkz h GLU 153 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2kkz n GLY 154 N 0.50 0.75 3.56 -3.84 0.00 -0.44 -5.03 105.19 100.70 2kkz n GLY 154 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.37 2.70 -0.07 4.61 0.00 -1.26 -4.72 121.76 120.65 2kkz s ALA 155 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 2kkz s ALA 155 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 2kkz s ALA 155 CO 0.00 -3.19 1.37 0.42 0.00 0.00 0.00 175.76 174.37 2kkz s ILE 156 N 6.38 3.95 0.00 0.00 1.01 -1.26 -2.35 121.20 128.94 2kkz s ILE 156 Ca 0.49 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.38 2kkz s ILE 156 Cb -0.10 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2kkz s ILE 156 CO 0.21 -0.06 0.55 1.33 0.00 0.00 0.00 174.94 176.98 2kkz n VAL 157 N 5.04 0.30 -3.73 2.92 0.24 -0.61 -4.49 118.33 118.01 2kkz n VAL 157 Ca 0.14 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 2kkz n VAL 157 Cb 0.44 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.30 -0.14 -0.19 7.63 0.00 -0.68 -1.25 107.32 112.38 2kkz s GLY 158 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.37 2kkz s GLY 158 CO 0.00 -0.30 0.91 1.85 0.00 0.00 0.00 173.10 175.57 2kkz s GLU 159 N -3.06 0.69 -0.27 2.90 2.12 -1.04 -1.12 118.70 118.91 2kkz s GLU 159 Ca -0.01 0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.75 2kkz s GLU 159 Cb 0.01 0.33 0.07 0.00 0.26 0.00 0.00 34.13 34.80 2kkz s GLU 159 CO -0.07 -0.16 -0.01 0.42 -0.54 0.00 0.00 175.26 174.90 2kkz s ILE 160 N -0.51 1.65 -0.08 -3.70 1.01 -0.02 -0.12 121.20 119.42 2kkz s ILE 160 Ca -0.02 -1.53 0.03 0.00 0.00 0.00 0.00 60.65 59.13 2kkz s ILE 160 Cb -0.02 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 2kkz s ILE 160 CO 0.01 -0.29 -0.17 -0.94 0.00 0.00 0.00 174.94 173.55 2kkz s SER 161 N 1.30 3.78 0.35 3.58 1.04 -0.77 -1.09 113.70 121.89 2kkz s SER 161 Ca -0.00 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.83 2kkz s SER 161 Cb -0.19 -1.14 -0.12 0.00 0.10 0.00 0.00 66.02 64.67 2kkz s SER 161 CO -0.09 0.25 1.17 -2.65 0.98 0.00 0.00 173.24 172.89 2kkz n PRO 162 N 2.93 1.77 -1.94 4.02 -0.02 -1.26 -0.77 135.00 139.73 2kkz n PRO 162 Ca -0.18 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 2kkz n PRO 162 Cb 0.52 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.64 4.09 0.58 2.45 1.43 -0.72 -4.75 118.68 121.12 2kkz s LEU 163 Ca 0.58 2.72 0.27 0.00 -1.03 0.00 0.00 54.13 56.67 2kkz s LEU 163 Cb -0.59 -4.02 1.71 0.00 0.03 0.00 0.00 46.19 43.32 2kkz s LEU 163 CO 0.60 -1.10 2.22 1.55 0.23 0.00 0.00 176.35 179.86 2kkz h PRO 164 N 2.27 0.00 -0.01 1.29 0.13 -1.93 -0.96 132.00 132.79 2kkz h PRO 164 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kkz h PRO 164 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kkz h PRO 164 CO 0.61 0.00 -0.41 -1.13 -0.23 0.00 0.00 178.00 176.84 2kkz n SER 165 N -3.98 1.22 -3.49 1.44 3.41 -1.26 -4.57 113.62 106.40 2kkz n SER 165 Ca -0.03 -0.98 -0.27 0.00 -0.26 0.00 0.00 58.87 57.34 2kkz n SER 165 Cb 0.11 0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 2kkz n SER 165 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2kkz n PHE 166 N -0.67 0.71 0.09 7.33 3.01 -0.37 -4.95 117.46 122.62 2kkz n PHE 166 Ca 0.10 -3.70 -0.06 0.00 1.01 0.00 0.00 57.45 54.81 2kkz n PHE 166 Cb 0.38 -0.16 0.08 0.00 -0.01 0.00 0.00 39.48 39.76 2kkz n PHE 166 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2kkz h PRO 167 N 5.11 0.16 -5.29 -1.08 0.13 -1.80 -3.20 132.00 126.04 2kkz h PRO 167 Ca 0.20 -0.14 -0.61 0.00 -0.87 0.00 0.00 66.00 64.58 2kkz h PRO 167 Cb 0.84 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.87 2kkz h PRO 167 CO 0.52 0.81 -0.33 0.20 -0.23 0.00 0.00 178.00 178.97 2kkz s GLY 168 N -4.43 2.05 0.17 1.56 0.00 -1.26 -4.95 107.32 100.46 2kkz s GLY 168 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 2kkz s GLY 168 CO 0.80 0.61 0.41 -2.38 0.00 0.00 0.00 173.10 172.54 2kkz s HIS 169 N 1.14 0.07 0.27 1.90 -3.43 -1.26 -5.03 115.29 108.95 2kkz s HIS 169 Ca 0.14 -0.42 0.01 0.00 -0.80 0.00 0.00 55.06 53.99 2kkz s HIS 169 Cb -0.14 0.19 -0.03 0.00 -1.43 0.00 0.00 32.58 31.17 2kkz s HIS 169 CO 0.06 -0.80 0.45 0.99 -2.00 0.00 0.00 174.74 173.44 2kkz s THR 170 N -3.90 5.18 0.35 -5.38 2.01 -1.26 -4.56 115.64 108.08 2kkz s THR 170 Ca 0.11 -0.58 0.13 0.00 0.31 0.00 0.00 61.69 61.66 2kkz s THR 170 Cb 0.01 -3.82 0.34 0.00 0.01 0.00 0.00 72.50 69.04 2kkz s THR 170 CO -0.03 -0.38 1.74 -0.29 -0.69 0.00 0.00 174.62 174.97 2kkz h ILE 171 N 1.11 0.52 -0.84 1.82 2.10 -1.73 -2.48 117.51 118.01 2kkz h ILE 171 Ca -0.50 -0.17 -0.03 0.00 1.08 0.00 0.00 64.86 65.24 2kkz h ILE 171 Cb 1.21 -0.03 -0.04 0.00 -1.09 0.00 0.00 36.82 36.88 2kkz h ILE 171 CO 0.63 0.09 0.42 -0.33 -1.08 0.00 0.00 178.15 177.88 2kkz h GLU 172 N 0.50 1.20 -0.74 2.19 4.39 -1.91 -1.77 114.58 118.44 2kkz h GLU 172 Ca 0.63 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 60.13 2kkz h GLU 172 Cb 1.36 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 2kkz h GLU 172 CO -0.41 0.91 0.32 -0.44 -1.16 0.00 0.00 179.01 178.23 2kkz h ASP 173 N 1.19 0.99 0.38 1.42 3.32 -1.85 -2.90 116.42 118.97 2kkz h ASP 173 Ca 0.29 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2kkz h ASP 173 Cb 0.10 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2kkz h ASP 173 CO -0.04 0.87 -0.18 0.58 -1.72 0.00 0.00 179.24 178.75 2kkz h VAL 174 N 1.05 0.63 -0.47 -1.35 2.07 -1.33 -1.48 116.25 115.36 2kkz h VAL 174 Ca 0.25 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2kkz h VAL 174 Cb 0.17 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2kkz h VAL 174 CO -0.03 0.05 0.24 0.07 0.02 0.00 0.00 177.57 177.93 2kkz h LYS 175 N -0.67 0.65 -0.32 1.57 2.10 -1.37 0.43 116.57 118.96 2kkz h LYS 175 Ca -0.05 -0.07 -0.13 0.00 -2.00 0.00 0.00 60.65 58.40 2kkz h LYS 175 Cb 0.48 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2kkz h LYS 175 CO 0.09 0.50 -0.31 -0.91 -2.00 0.00 0.00 179.45 176.82 2kkz h ASN 176 N 0.66 0.82 -0.46 7.07 2.35 -1.49 -2.09 115.58 122.44 2kkz h ASN 176 Ca 0.17 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.41 2kkz h ASN 176 Cb 0.05 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2kkz h ASN 176 CO -0.02 1.12 0.17 0.00 -1.65 0.00 0.00 177.43 177.05 2kkz h ALA 177 N 0.73 1.33 -0.60 -0.83 0.00 -0.31 -0.11 119.26 119.47 2kkz h ALA 177 Ca 0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2kkz h ALA 177 Cb 0.88 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kkz h ALA 177 CO 0.08 0.49 0.03 0.82 0.00 0.00 0.00 179.25 180.67 2kkz h ILE 178 N 0.75 1.26 0.00 0.00 2.04 -0.84 -1.66 117.51 119.06 2kkz h ILE 178 Ca 0.17 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 2kkz h ILE 178 Cb 0.21 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2kkz h ILE 178 CO -0.01 0.40 -0.26 1.23 0.00 0.00 0.00 178.15 179.51 2kkz h GLY 179 N 1.01 0.00 0.89 5.37 0.00 -0.61 0.11 103.07 109.85 2kkz h GLY 179 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 2kkz h GLY 179 CO 0.02 0.00 -0.73 -2.08 0.00 0.00 0.00 176.54 173.76 2kkz h VAL 180 N 0.00 1.39 -0.32 4.60 2.07 -0.79 0.04 116.25 123.24 2kkz h VAL 180 Ca -0.00 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 2kkz h VAL 180 Cb 0.75 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2kkz h VAL 180 CO 0.03 0.63 0.19 0.25 0.02 0.00 0.00 177.57 178.70 2kkz h LEU 181 N 0.02 0.39 0.01 2.57 5.85 -1.16 -0.84 115.31 122.15 2kkz h LEU 181 Ca -0.09 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2kkz h LEU 181 Cb 1.43 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2kkz h LEU 181 CO 0.14 0.33 -0.00 0.40 -0.34 0.00 0.00 178.44 178.97 2kkz h ILE 182 N 0.42 1.01 -0.30 4.05 2.04 -1.04 -1.30 117.51 122.40 2kkz h ILE 182 Ca 0.12 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2kkz h ILE 182 Cb 0.01 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2kkz h ILE 182 CO -0.02 0.02 0.15 1.23 0.00 0.00 0.00 178.15 179.52 2kkz h GLY 183 N -0.04 0.44 0.92 5.37 0.00 -0.86 0.37 103.07 109.26 2kkz h GLY 183 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2kkz h GLY 183 CO 0.00 0.18 -0.11 -1.33 0.00 0.00 0.00 176.54 175.28 2kkz h GLY 184 N 0.51 0.69 2.00 4.60 0.00 -1.01 -2.82 103.07 107.04 2kkz h GLY 184 Ca 0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2kkz h GLY 184 CO -0.02 0.54 -0.17 1.41 0.00 0.00 0.00 176.54 178.30 2kkz h LEU 185 N 0.41 0.00 -0.06 3.11 3.38 0.03 -0.88 115.31 121.29 2kkz h LEU 185 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 2kkz h LEU 185 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2kkz h LEU 185 CO 0.04 0.17 -0.75 -0.33 0.09 0.00 0.00 178.44 177.66 2kkz h GLU 186 N 0.00 0.61 -0.61 1.13 4.39 -0.28 0.80 114.58 120.62 2kkz h GLU 186 Ca -0.00 -0.58 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 2kkz h GLU 186 Cb 0.57 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2kkz h GLU 186 CO 0.02 1.19 0.18 0.00 -1.16 0.00 0.00 179.01 179.24 2kkz h ARG 187 N 0.24 0.97 0.00 2.33 3.08 -1.34 -1.97 114.38 117.69 2kkz h ARG 187 Ca -0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2kkz h ARG 187 Cb 1.41 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2kkz h ARG 187 CO 0.15 0.87 0.00 0.09 -1.07 0.00 0.00 179.97 180.01 2kkz n ASN 188 N -4.37 0.09 -2.87 7.04 4.13 -0.35 -4.92 115.26 114.01 2kkz n ASN 188 Ca 0.04 0.53 -0.07 0.00 1.68 0.00 0.00 54.58 56.75 2kkz n ASN 188 Cb 0.22 -0.54 0.03 0.00 -1.54 0.00 0.00 39.78 37.95 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 -1.60 -6.27 -4.12 6.41 2.03 -0.04 -4.27 116.55 108.70 2kkz n ASP 189 Ca 0.03 -0.35 -0.26 0.00 0.52 0.00 0.00 54.79 54.73 2kkz n ASP 189 Cb 0.14 -4.47 -0.16 0.00 -0.72 0.00 0.00 41.12 35.92 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 -3.10 2.13 -0.75 1.67 0.01 0.07 -1.46 114.94 113.51 2kkz s ASN 190 Ca 0.21 -0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 51.74 2kkz s ASN 190 Cb -0.03 -0.68 0.04 0.00 0.41 0.00 0.00 41.25 40.99 2kkz s ASN 190 CO 0.61 0.13 1.26 -0.89 -1.51 0.00 0.00 177.10 176.70 2kkz s THR 191 N 0.16 3.80 0.05 1.60 2.01 0.09 -4.57 115.64 118.78 2kkz s THR 191 Ca -0.06 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.19 2kkz s THR 191 Cb -0.12 -4.90 -0.04 0.00 0.01 0.00 0.00 72.50 67.44 2kkz s THR 191 CO 0.03 -1.82 0.08 0.68 -0.69 0.00 0.00 174.62 172.90 2kkz s VAL 192 N 5.49 4.63 -0.01 3.82 -7.23 -1.26 -1.77 120.40 124.07 2kkz s VAL 192 Ca 0.34 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2kkz s VAL 192 Cb -0.08 -3.19 0.01 0.00 0.56 0.00 0.00 36.38 33.67 2kkz s VAL 192 CO 0.13 0.21 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.51 2kkz s ARG 193 N -2.16 0.27 0.39 4.82 3.52 -0.67 -4.96 118.95 120.16 2kkz s ARG 193 Ca 0.27 -0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 55.76 2kkz s ARG 193 Cb -0.12 -0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 32.87 2kkz s ARG 193 CO 0.19 -0.02 0.73 0.08 -0.81 0.00 0.00 175.30 175.47 2kkz s VAL 194 N 0.41 4.84 0.60 7.11 1.01 -1.26 -1.92 120.40 131.19 2kkz s VAL 194 Ca -0.04 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2kkz s VAL 194 Cb -0.07 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2kkz s VAL 194 CO -0.01 -0.52 1.27 -0.94 0.00 0.00 0.00 175.10 174.91 2kkz s SER 195 N -3.25 5.00 0.41 3.32 1.04 -0.25 -4.79 113.70 115.17 2kkz s SER 195 Ca 0.50 2.56 0.13 0.00 0.48 0.00 0.00 55.95 59.61 2kkz s SER 195 Cb -0.10 -2.61 0.98 0.00 0.10 0.00 0.00 66.02 64.38 2kkz s SER 195 CO 0.32 -1.74 1.94 0.11 0.98 0.00 0.00 173.24 174.86 2kkz h LYS 196 N 0.91 0.48 0.70 4.02 1.79 -1.96 -0.42 116.57 122.08 2kkz h LYS 196 Ca -0.51 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.90 2kkz h LYS 196 Cb 1.31 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2kkz h LYS 196 CO 0.55 0.32 -0.34 1.79 -1.08 0.00 0.00 179.45 180.69 2kkz h THR 197 N 0.49 0.16 -0.62 -0.16 1.35 -1.97 -3.28 112.91 108.88 2kkz h THR 197 Ca 0.34 -0.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.93 2kkz h THR 197 Cb 0.66 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.25 2kkz h THR 197 CO -0.11 0.02 0.25 -0.07 -0.25 0.00 0.00 175.52 175.35 2kkz h LEU 198 N -1.15 0.83 -1.25 3.87 3.38 -1.77 -0.68 115.31 118.54 2kkz h LEU 198 Ca -0.10 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2kkz h LEU 198 Cb 0.75 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2kkz h LEU 198 CO 0.16 0.75 0.56 1.56 0.09 0.00 0.00 178.44 181.56 2kkz h GLN 199 N 0.90 0.79 0.00 1.13 4.20 -1.17 0.73 115.11 121.69 2kkz h GLN 199 Ca 0.21 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 2kkz h GLN 199 Cb 0.18 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2kkz h GLN 199 CO -0.02 0.52 -2.07 2.89 -0.67 0.00 0.00 178.83 179.48 2kkz n ARG 200 N -4.53 0.84 -0.07 1.46 1.85 -1.09 -1.17 116.66 113.96 2kkz n ARG 200 Ca 0.15 -0.09 -0.10 0.00 -1.00 0.00 0.00 57.85 56.81 2kkz n ARG 200 Cb 0.33 -1.46 -0.07 0.00 -1.05 0.00 0.00 32.46 30.21 2kkz n ARG 200 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2kkz h PHE 201 N 0.00 0.00 0.00 2.89 0.04 -0.86 -3.31 116.94 115.70 2kkz h PHE 201 Ca -0.26 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.38 2kkz h PHE 201 Cb 1.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.67 2kkz h PHE 201 CO 0.00 0.65 -1.36 0.00 -0.60 0.00 0.00 178.31 176.99 2kkz n ALA 202 N -2.91 1.24 -0.25 2.45 0.00 -0.17 -2.12 120.51 118.74 2kkz n ALA 202 Ca -0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 53.44 52.48 2kkz n ALA 202 Cb 0.34 0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.94 2kkz n ALA 202 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2kkz h TRP 203 N -0.87 0.97 -1.02 0.00 2.91 -1.12 -3.40 115.95 113.42 2kkz h TRP 203 Ca -0.20 -0.03 -0.54 0.00 1.13 0.00 0.00 58.89 59.25 2kkz h TRP 203 Cb 1.09 -0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.39 2kkz h TRP 203 CO -0.28 0.69 -0.33 0.20 -1.03 0.00 0.00 178.44 177.70 2kkz s GLY 204 N -3.05 2.23 -1.95 2.65 0.00 -0.32 -4.73 107.32 102.15 2kkz s GLY 204 Ca -0.13 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2kkz s GLY 204 CO 0.79 -1.83 0.00 1.44 0.00 0.00 0.00 173.10 173.50 2kkz n SER 205 N -1.68 -5.57 -4.45 1.64 7.64 -1.24 -4.08 113.62 105.88 2kkz n SER 205 Ca 0.02 0.27 -0.33 0.00 1.01 0.00 0.00 58.87 59.84 2kkz n SER 205 Cb 0.63 -4.73 -0.13 0.00 -1.01 0.00 0.00 64.21 58.97 2kkz n SER 205 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kkz s SER 206 N -2.48 3.97 -0.41 6.43 1.04 -1.26 -4.87 113.70 116.12 2kkz s SER 206 Ca 0.00 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.23 2kkz s SER 206 Cb 0.00 -0.95 0.17 0.00 0.10 0.00 0.00 66.02 65.33 2kkz s SER 206 CO 0.00 0.31 0.35 0.20 0.98 0.00 0.00 173.24 175.08 2kkz s ASN 207 N -0.54 1.36 -0.42 7.02 0.02 -1.26 -5.09 114.94 116.04 2kkz s ASN 207 Ca 0.07 -2.96 -0.29 0.00 -1.02 0.00 0.00 52.86 48.67 2kkz s ASN 207 Cb -0.12 -0.33 0.02 0.00 0.02 0.00 0.00 41.25 40.85 2kkz s ASN 207 CO 0.01 -0.17 1.13 -1.83 0.02 0.00 0.00 177.10 176.26 2kkz s GLU 208 N 0.16 3.83 -1.08 -0.60 -1.05 -1.26 -4.98 118.70 113.72 2kkz s GLU 208 Ca 0.32 0.76 -0.20 0.00 -0.15 0.00 0.00 54.97 55.70 2kkz s GLU 208 Cb 0.02 -3.86 0.09 0.00 -0.44 0.00 0.00 34.13 29.94 2kkz s GLU 208 CO -0.18 -1.23 1.44 1.21 0.95 0.00 0.00 175.26 177.44 2kkz s ASN 209 N 2.26 6.68 -1.12 0.83 3.84 -1.26 -4.93 114.94 121.24 2kkz s ASN 209 Ca 0.48 -2.00 -0.22 0.00 0.21 0.00 0.00 52.86 51.33 2kkz s ASN 209 Cb -0.09 -2.51 0.01 0.00 -0.55 0.00 0.00 41.25 38.11 2kkz s ASN 209 CO 0.26 -1.23 1.73 -0.83 -2.79 0.00 0.00 177.10 174.24 2kkz s GLY 210 N 4.23 0.96 0.20 1.21 0.00 -1.26 -4.98 107.32 107.68 2kkz s GLY 210 Ca 0.44 -2.30 -0.20 0.00 0.00 0.00 0.00 44.72 42.66 2kkz s GLY 210 CO -0.05 3.02 0.70 0.50 0.00 0.00 0.00 173.10 177.27 2kkz s ARG 211 N 5.42 4.25 -0.04 2.90 0.52 -1.26 -5.05 118.95 125.68 2kkz s ARG 211 Ca 0.57 0.85 -0.36 0.00 -0.52 0.00 0.00 55.73 56.27 2kkz s ARG 211 Cb -0.00 -2.94 -0.14 0.00 0.52 0.00 0.00 34.95 32.40 2kkz s ARG 211 CO 0.02 0.43 1.71 -2.30 0.02 0.00 0.00 175.30 175.18 2kkz n PRO 212 N 0.86 1.85 -1.68 3.54 -0.02 -1.26 -4.89 135.00 133.40 2kkz n PRO 212 Ca -0.03 0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 61.67 2kkz n PRO 212 Cb 0.51 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 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 5.08 2.41 -1.86 0.52 -0.04 -1.26 -4.83 135.00 135.01 2kkz n PRO 213 Ca 0.21 0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 64.25 2kkz n PRO 213 Cb 0.25 -2.72 -0.04 0.00 -0.04 0.00 0.00 33.50 30.94 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 2.81 3.21 0.26 1.53 1.43 -1.26 -4.94 118.68 121.72 2kkz s LEU 214 Ca 0.85 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 2kkz s LEU 214 Cb -0.61 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.99 2kkz s LEU 214 CO 0.43 -2.85 1.17 0.42 0.23 0.00 0.00 176.35 175.75 2kkz s THR 215 N 11.02 3.37 0.27 5.49 -4.23 -1.26 -5.07 115.64 125.24 2kkz s THR 215 Ca 0.79 1.31 0.06 0.00 -1.18 0.00 0.00 61.69 62.67 2kkz s THR 215 Cb -0.12 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 2kkz s THR 215 CO 0.14 0.28 0.30 -1.48 -0.54 0.00 0.00 174.62 173.32 2kkz s LEU 216 N -1.13 3.96 0.00 4.79 2.34 -1.26 -5.31 118.68 122.08 2kkz s LEU 216 Ca 0.48 -0.18 0.14 0.00 0.06 0.00 0.00 54.13 54.62 2kkz s LEU 216 Cb -0.34 -2.54 0.82 0.00 -0.56 0.00 0.00 46.19 43.57 2kkz s LEU 216 CO 0.42 -0.15 1.24 -0.62 -1.06 0.00 0.00 176.35 176.18