#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 0.40 -0.76 0.03 0.13 -2.04 -3.39 132.00 126.38 2kkz h PRO 85 Ca 0.00 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 2kkz h PRO 85 Cb 0.00 -0.09 -0.17 0.00 0.13 0.00 0.00 31.00 30.86 2kkz h PRO 85 CO 0.00 0.27 -0.36 0.00 -0.23 0.00 0.00 178.00 177.68 2kkz s ALA 86 N -5.39 -2.94 -0.34 -0.56 0.00 -1.26 -5.14 121.76 106.13 2kkz s ALA 86 Ca -0.08 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2kkz s ALA 86 Cb 0.18 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 2kkz s ALA 86 CO 0.73 -2.31 0.48 -1.54 0.00 0.00 0.00 175.76 173.12 2kkz s SER 87 N 1.51 6.29 -0.10 0.00 1.04 -1.26 -4.48 113.70 116.70 2kkz s SER 87 Ca 0.20 -0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 2kkz s SER 87 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2kkz s SER 87 CO -0.08 -0.44 0.04 -0.60 0.98 0.00 0.00 173.24 173.14 2kkz s ARG 88 N 2.30 3.17 -0.47 4.02 3.52 -0.85 -4.88 118.95 125.76 2kkz s ARG 88 Ca 0.17 -0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.33 2kkz s ARG 88 Cb -0.16 -2.93 0.11 0.00 -1.56 0.00 0.00 34.95 30.41 2kkz s ARG 88 CO 0.13 0.70 0.36 0.71 -0.81 0.00 0.00 175.30 176.39 2kkz s TYR 89 N -0.85 3.35 0.03 5.12 2.02 -1.26 -0.05 117.35 125.71 2kkz s TYR 89 Ca 0.13 -1.58 -0.30 0.00 -0.37 0.00 0.00 57.07 54.95 2kkz s TYR 89 Cb -0.12 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.00 2kkz s TYR 89 CO 0.03 -0.94 1.14 0.42 -1.57 0.00 0.00 175.55 174.62 2kkz s ILE 90 N 1.45 4.29 -0.67 2.71 -1.09 -0.25 -4.90 121.20 122.75 2kkz s ILE 90 Ca 0.04 1.64 0.05 0.00 -2.23 0.00 0.00 60.65 60.15 2kkz s ILE 90 Cb -0.26 -4.05 0.17 0.00 -1.58 0.00 0.00 42.46 36.74 2kkz s ILE 90 CO 0.01 0.12 0.47 0.42 -1.23 0.00 0.00 174.94 174.73 2kkz s THR 91 N 1.14 2.61 0.30 2.92 -4.23 -1.26 -2.16 115.64 114.96 2kkz s THR 91 Ca 0.57 -4.06 0.09 0.00 -1.18 0.00 0.00 61.69 57.10 2kkz s THR 91 Cb -0.27 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2kkz s THR 91 CO 0.28 -1.02 1.69 0.44 -0.54 0.00 0.00 174.62 175.47 2kkz h ASP 92 N 5.48 0.13 -3.70 3.99 3.32 -1.91 -3.42 116.42 120.31 2kkz h ASP 92 Ca 0.15 -0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.50 2kkz h ASP 92 Cb 0.78 -0.04 -0.19 0.00 0.22 0.00 0.00 39.33 40.10 2kkz h ASP 92 CO 0.68 0.59 -0.56 -0.32 -1.72 0.00 0.00 179.24 177.91 2kkz s MET 93 N -3.97 3.86 0.63 3.56 -2.45 -1.26 -4.93 119.30 114.74 2kkz s MET 93 Ca -0.03 -0.37 -0.15 0.00 -1.25 0.00 0.00 55.69 53.89 2kkz s MET 93 Cb 0.13 -3.47 -0.02 0.00 1.25 0.00 0.00 34.83 32.73 2kkz s MET 93 CO 0.76 -0.10 1.07 0.99 1.05 0.00 0.00 175.02 178.79 2kkz s THR 94 N 1.45 3.67 0.43 10.11 2.01 -1.26 -4.80 115.64 127.24 2kkz s THR 94 Ca 0.06 0.74 0.17 0.00 0.31 0.00 0.00 61.69 62.97 2kkz s THR 94 Cb -0.15 -3.29 0.37 0.00 0.01 0.00 0.00 72.50 69.44 2kkz s THR 94 CO 0.06 -0.51 1.90 0.40 -0.69 0.00 0.00 174.62 175.78 2kkz h ILE 95 N 0.12 0.76 0.02 1.82 5.03 -1.97 0.06 117.51 123.35 2kkz h ILE 95 Ca -0.46 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 2kkz h ILE 95 Cb 1.23 0.32 -0.01 0.00 -3.03 0.00 0.00 36.82 35.33 2kkz h ILE 95 CO 0.56 0.07 -0.09 -0.33 -0.68 0.00 0.00 178.15 177.69 2kkz h GLU 96 N 0.40 -0.12 0.00 2.37 5.08 -1.96 -0.48 114.58 119.87 2kkz h GLU 96 Ca 0.40 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2kkz h GLU 96 Cb 0.96 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2kkz h GLU 96 CO -0.13 -0.08 -0.15 1.05 -1.00 0.00 0.00 179.01 178.70 2kkz h GLU 97 N -0.12 0.00 -0.27 2.33 4.11 -1.86 0.45 114.58 119.22 2kkz h GLU 97 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2kkz h GLU 97 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2kkz h GLU 97 CO -0.05 0.15 -0.03 1.25 0.07 0.00 0.00 179.01 180.40 2kkz h LEU 98 N 0.00 0.49 -1.95 3.06 6.46 -0.95 -3.27 115.31 119.15 2kkz h LEU 98 Ca -0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2kkz h LEU 98 Cb 0.67 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2kkz h LEU 98 CO 0.02 0.71 0.00 -0.24 -0.62 0.00 0.00 178.44 178.31 2kkz n SER 99 N -4.57 2.99 -4.77 1.25 2.88 -0.20 -4.97 113.62 106.24 2kkz n SER 99 Ca -0.03 -1.96 -0.41 0.00 -1.33 0.00 0.00 58.87 55.15 2kkz n SER 99 Cb 0.27 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.85 4.00 0.17 -1.46 3.52 0.13 -5.03 118.95 118.43 2kkz s ARG 100 Ca 0.32 2.50 -0.21 0.00 -0.13 0.00 0.00 55.73 58.21 2kkz s ARG 100 Cb 0.21 -2.88 -0.08 0.00 -1.56 0.00 0.00 34.95 30.64 2kkz s ARG 100 CO 0.31 -0.60 0.70 0.34 -0.81 0.00 0.00 175.30 175.24 2kkz s ASP 101 N -0.28 7.14 0.07 -2.12 2.15 -1.26 -5.02 116.67 117.36 2kkz s ASP 101 Ca 0.55 1.43 -0.17 0.00 0.43 0.00 0.00 52.55 54.80 2kkz s ASP 101 Cb -0.45 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 39.78 2kkz s ASP 101 CO 0.60 0.14 0.39 -1.66 -0.17 0.00 0.00 175.17 174.47 2kkz s TRP 102 N -1.32 -0.22 0.18 -5.34 1.48 -1.26 -4.98 118.94 107.49 2kkz s TRP 102 Ca 0.38 0.05 0.08 0.00 -1.06 0.00 0.00 56.10 55.55 2kkz s TRP 102 Cb -0.19 0.21 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 2kkz s TRP 102 CO 0.22 -0.61 -0.01 -0.59 -4.06 0.00 0.00 176.95 171.90 2kkz s PHE 103 N -3.01 2.82 -0.23 1.66 -0.71 -1.26 -5.07 117.98 112.18 2kkz s PHE 103 Ca -0.02 -0.15 -0.00 0.00 -1.04 0.00 0.00 56.93 55.72 2kkz s PHE 103 Cb 0.00 -1.35 0.06 0.00 -1.21 0.00 0.00 43.02 40.52 2kkz s PHE 103 CO -0.06 0.53 -0.02 -1.64 -1.34 0.00 0.00 175.22 172.69 2kkz s MET 104 N -3.02 1.29 0.01 1.99 -1.94 -1.26 -4.43 119.30 111.93 2kkz s MET 104 Ca 0.28 -0.85 -0.25 0.00 -1.71 0.00 0.00 55.69 53.16 2kkz s MET 104 Cb -0.09 -2.44 -0.18 0.00 2.01 0.00 0.00 34.83 34.13 2kkz s MET 104 CO 0.18 -0.64 1.37 1.25 -0.01 0.00 0.00 175.02 177.17 2kkz h LEU 105 N 8.04 0.05 -7.15 -0.03 5.85 -1.98 -3.38 115.31 116.72 2kkz h LEU 105 Ca -0.17 -0.40 -0.62 0.00 0.84 0.00 0.00 57.88 57.53 2kkz h LEU 105 Cb 1.08 -0.01 -0.42 0.00 0.37 0.00 0.00 40.66 41.68 2kkz h LEU 105 CO 0.40 0.44 -0.58 -0.04 -0.34 0.00 0.00 178.44 178.31 2kkz s MET 106 N -4.62 2.38 -0.00 1.25 -1.94 -1.26 -5.01 119.30 110.09 2kkz s MET 106 Ca -0.15 -3.21 -0.30 0.00 -1.71 0.00 0.00 55.69 50.32 2kkz s MET 106 Cb 0.03 -3.41 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 2kkz s MET 106 CO 0.68 -1.25 1.34 -1.25 -0.01 0.00 0.00 175.02 174.53 2kkz s PRO 107 N -1.23 4.31 -0.42 2.03 0.04 -1.26 -1.18 135.00 137.29 2kkz s PRO 107 Ca 0.23 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.99 2kkz s PRO 107 Cb -0.09 -3.54 0.02 0.00 0.04 0.00 0.00 34.50 30.93 2kkz s PRO 107 CO -0.13 -0.52 0.48 0.21 0.04 0.00 0.00 177.00 177.07 2kkz s LYS 108 N 2.21 3.15 -0.58 4.56 2.20 -0.23 -4.96 119.74 126.08 2kkz s LYS 108 Ca 0.62 -0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 2kkz s LYS 108 Cb -0.30 -3.96 0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2kkz s LYS 108 CO 0.26 -0.87 1.18 -1.14 -0.36 0.00 0.00 175.35 174.41 2kkz s GLN 109 N 2.27 3.50 0.02 4.03 -0.44 -1.26 -3.58 119.66 124.20 2kkz s GLN 109 Ca 0.14 0.21 0.05 0.00 -2.50 0.00 0.00 55.36 53.26 2kkz s GLN 109 Cb -0.16 -4.02 -0.02 0.00 -1.64 0.00 0.00 33.01 27.17 2kkz s GLN 109 CO 0.15 -1.67 -0.14 0.21 0.50 0.00 0.00 175.29 174.33 2kkz s LYS 110 N 4.90 0.97 -0.09 1.67 2.47 -1.14 -5.08 119.74 123.44 2kkz s LYS 110 Ca 0.42 -0.67 -0.00 0.00 -1.56 0.00 0.00 55.97 54.16 2kkz s LYS 110 Cb -0.08 -0.97 0.02 0.00 -1.46 0.00 0.00 37.83 35.35 2kkz s LYS 110 CO 0.25 0.25 -0.06 0.08 0.16 0.00 0.00 175.35 176.03 2kkz s VAL 111 N -0.69 0.79 -0.51 4.02 1.01 -1.26 -0.67 120.40 123.10 2kkz s VAL 111 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2kkz s VAL 111 Cb -0.07 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.60 2kkz s VAL 111 CO 0.01 0.32 0.35 -0.70 0.00 0.00 0.00 175.10 175.08 2kkz s GLU 112 N 1.58 2.43 7.00 2.72 2.56 -0.07 -4.95 118.70 129.98 2kkz s GLU 112 Ca 0.01 -1.97 0.00 0.00 0.00 0.00 0.00 54.97 53.01 2kkz s GLU 112 Cb -0.13 -3.83 0.00 0.00 2.00 0.00 0.00 34.13 32.17 2kkz s GLU 112 CO -0.05 -1.16 0.00 0.41 -0.56 0.00 0.00 175.26 173.89 2kkz n GLY 113 N 4.49 1.57 2.15 -1.50 0.00 -1.26 -2.57 105.19 108.07 2kkz n GLY 113 Ca -0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 12.37 2.22 -4.08 1.61 -0.04 -1.26 -4.91 135.00 140.90 2kkz n PRO 114 Ca 0.00 -2.80 -0.24 0.00 -0.04 0.00 0.00 63.50 60.42 2kkz n PRO 114 Cb 0.00 -2.10 -0.17 0.00 -0.04 0.00 0.00 33.50 31.20 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 -3.10 1.22 -0.19 1.53 1.43 -1.06 -1.37 118.68 117.13 2kkz s LEU 115 Ca 0.53 -0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 53.14 2kkz s LEU 115 Cb 0.44 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 2kkz s LEU 115 CO 0.08 -0.08 0.86 0.00 0.23 0.00 0.00 176.35 177.44 2kkz s ILE 117 N 2.38 4.77 -0.27 0.00 -1.09 0.15 -2.85 121.20 124.28 2kkz s ILE 117 Ca 0.39 -1.09 -0.15 0.00 -2.23 0.00 0.00 60.65 57.57 2kkz s ILE 117 Cb -0.16 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2kkz s ILE 117 CO 0.11 -0.45 0.36 -0.13 -1.23 0.00 0.00 174.94 173.60 2kkz s ARG 118 N 1.56 4.01 -0.09 2.79 0.52 -0.34 -2.90 118.95 124.48 2kkz s ARG 118 Ca 0.03 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2kkz s ARG 118 Cb -0.22 -3.66 0.02 0.00 0.52 0.00 0.00 34.95 31.61 2kkz s ARG 118 CO 0.06 -0.28 -0.09 0.42 0.02 0.00 0.00 175.30 175.43 2kkz s ILE 119 N 2.05 1.01 -0.15 1.52 1.01 -1.23 -2.63 121.20 122.78 2kkz s ILE 119 Ca 0.15 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 2kkz s ILE 119 Cb -0.16 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2kkz s ILE 119 CO 0.10 0.35 0.45 -0.62 0.00 0.00 0.00 174.94 175.22 2kkz s ASP 120 N 1.33 6.60 0.03 3.58 2.15 -1.07 -1.07 116.67 128.22 2kkz s ASP 120 Ca -0.02 0.71 0.24 0.00 0.43 0.00 0.00 52.55 53.91 2kkz s ASP 120 Cb -0.14 -2.27 0.36 0.00 -0.30 0.00 0.00 42.92 40.57 2kkz s ASP 120 CO -0.04 -0.03 1.30 0.00 -0.17 0.00 0.00 175.17 176.23 2kkz n GLN 121 N 3.96 0.09 -0.06 4.34 6.02 -0.32 -4.18 117.38 127.24 2kkz n GLN 121 Ca -0.07 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.78 2kkz n GLN 121 Cb 0.51 -1.54 -0.13 0.00 1.02 0.00 0.00 30.24 30.10 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 2.85 -0.01 -1.82 -1.58 0.00 -1.94 -3.44 119.26 113.33 2kkz h ALA 122 Ca 0.00 -0.51 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 2kkz h ALA 122 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2kkz h ALA 122 CO 0.00 0.03 1.18 0.42 0.00 0.00 0.00 179.25 180.88 2kkz s ILE 123 N -2.36 3.67 0.14 0.00 1.09 -1.26 -4.97 121.20 117.51 2kkz s ILE 123 Ca -0.18 0.68 0.04 0.00 -1.10 0.00 0.00 60.65 60.09 2kkz s ILE 123 Cb -0.02 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 2kkz s ILE 123 CO 0.70 -0.59 -0.10 -0.04 -0.10 0.00 0.00 174.94 174.81 2kkz s MET 124 N 5.34 1.04 -1.12 2.79 -1.94 -1.26 -4.87 119.30 119.28 2kkz s MET 124 Ca 0.71 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 2kkz s MET 124 Cb -0.18 -0.63 0.00 0.00 2.01 0.00 0.00 34.83 36.03 2kkz s MET 124 CO 0.33 0.08 0.00 -3.47 -0.01 0.00 0.00 175.02 171.95 2kkz n ASP 125 N -0.08 -4.57 -4.84 3.03 2.03 0.12 -4.98 116.55 107.27 2kkz n ASP 125 Ca -0.11 0.26 -0.29 0.00 0.52 0.00 0.00 54.79 55.17 2kkz n ASP 125 Cb 0.60 -3.00 -0.05 0.00 -0.72 0.00 0.00 41.12 37.95 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 -2.76 3.08 -0.65 -0.67 -0.14 -1.26 -4.84 119.74 112.50 2kkz s LYS 126 Ca 0.00 -0.67 -0.25 0.00 -1.36 0.00 0.00 55.97 53.69 2kkz s LYS 126 Cb 0.00 -2.81 0.05 0.00 -1.68 0.00 0.00 37.83 33.39 2kkz s LYS 126 CO 0.00 0.55 1.08 -0.80 -0.76 0.00 0.00 175.35 175.42 2kkz s ASN 127 N -2.72 6.24 -0.23 2.83 0.01 -1.26 -0.73 114.94 119.08 2kkz s ASN 127 Ca 0.32 -0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 51.84 2kkz s ASN 127 Cb -0.12 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 2kkz s ASN 127 CO 0.25 -1.51 0.10 -0.63 -1.51 0.00 0.00 177.10 173.80 2kkz s ILE 128 N 4.63 4.81 -0.22 0.60 1.01 -0.62 -2.89 121.20 128.53 2kkz s ILE 128 Ca 0.30 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 2kkz s ILE 128 Cb -0.12 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 2kkz s ILE 128 CO 0.16 0.36 0.21 -0.32 0.00 0.00 0.00 174.94 175.35 2kkz s MET 129 N 1.14 4.13 -0.44 2.79 -2.45 -0.42 -2.08 119.30 121.97 2kkz s MET 129 Ca 0.05 -0.14 -0.10 0.00 -1.25 0.00 0.00 55.69 54.25 2kkz s MET 129 Cb -0.14 -3.50 0.09 0.00 1.25 0.00 0.00 34.83 32.53 2kkz s MET 129 CO 0.04 0.11 0.30 -0.51 1.05 0.00 0.00 175.02 176.02 2kkz s LEU 130 N 0.89 5.38 0.10 4.11 1.43 -0.06 -2.53 118.68 128.01 2kkz s LEU 130 Ca 0.11 -1.60 0.07 0.00 -1.03 0.00 0.00 54.13 51.68 2kkz s LEU 130 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2kkz s LEU 130 CO 0.04 -0.60 -0.19 -0.54 0.23 0.00 0.00 176.35 175.29 2kkz s LYS 131 N 1.44 1.07 0.05 1.70 1.02 -0.93 -0.76 119.74 123.33 2kkz s LYS 131 Ca 0.04 -1.16 0.01 0.00 0.02 0.00 0.00 55.97 54.89 2kkz s LYS 131 Cb -0.24 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 2kkz s LYS 131 CO 0.02 0.28 -0.06 0.00 -0.92 0.00 0.00 175.35 174.66 2kkz s ALA 132 N -1.36 0.61 -0.24 5.17 0.00 -1.26 -1.57 121.76 123.11 2kkz s ALA 132 Ca 0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 2kkz s ALA 132 Cb -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2kkz s ALA 132 CO 0.04 -0.13 0.04 -0.80 0.00 0.00 0.00 175.76 174.91 2kkz s ASN 133 N -2.09 4.94 0.14 0.00 -0.87 0.08 -2.84 114.94 114.31 2kkz s ASN 133 Ca -0.03 -0.24 -0.19 0.00 -1.57 0.00 0.00 52.86 50.83 2kkz s ASN 133 Cb -0.04 -1.88 0.05 0.00 -0.02 0.00 0.00 41.25 39.36 2kkz s ASN 133 CO -0.02 -0.02 0.49 0.72 -2.57 0.00 0.00 177.10 175.70 2kkz s PHE 134 N 1.49 -0.34 0.34 2.20 -0.71 -0.92 -1.62 117.98 118.42 2kkz s PHE 134 Ca 0.06 0.07 -0.13 0.00 -1.04 0.00 0.00 56.93 55.88 2kkz s PHE 134 Cb -0.15 0.39 -0.08 0.00 -1.21 0.00 0.00 43.02 41.97 2kkz s PHE 134 CO 0.02 -0.77 0.73 -1.54 -1.34 0.00 0.00 175.22 172.32 2kkz s SER 135 N -2.78 6.70 -0.04 1.98 1.04 -0.63 -1.09 113.70 118.87 2kkz s SER 135 Ca 0.02 1.21 0.02 0.00 0.48 0.00 0.00 55.95 57.69 2kkz s SER 135 Cb 0.01 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.79 2kkz s SER 135 CO -0.12 -0.25 -0.10 -0.69 0.98 0.00 0.00 173.24 173.06 2kkz s VAL 136 N -2.07 0.95 -0.01 5.02 1.01 0.92 -1.06 120.40 125.16 2kkz s VAL 136 Ca 0.53 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2kkz s VAL 136 Cb -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2kkz s VAL 136 CO 0.21 0.30 0.03 -0.51 0.00 0.00 0.00 175.10 175.13 2kkz s ILE 137 N 0.45 0.01 -1.61 2.22 1.10 -0.06 -2.00 121.20 121.30 2kkz s ILE 137 Ca -0.09 -0.06 -0.01 0.00 -0.51 0.00 0.00 60.65 59.98 2kkz s ILE 137 Cb -0.12 -0.07 0.00 0.00 0.15 0.00 0.00 42.46 42.42 2kkz s ILE 137 CO 0.02 -0.03 0.12 0.49 -2.11 0.00 0.00 174.94 173.42 2kkz n PHE 138 N 2.96 -1.26 -2.43 3.50 3.72 -1.26 -1.65 117.46 121.04 2kkz n PHE 138 Ca -0.13 0.10 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 2kkz n PHE 138 Cb 0.59 -3.84 -0.00 0.00 -0.94 0.00 0.00 39.48 35.30 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 -2.08 -5.19 -4.06 4.37 8.00 -1.26 -5.02 116.55 111.31 2kkz n ASP 139 Ca -0.20 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.15 2kkz n ASP 139 Cb 0.66 -4.23 -0.09 0.00 -0.02 0.00 0.00 41.12 37.45 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 1.06 -0.02 -1.24 1.04 -0.66 -4.73 118.95 109.42 2kkz s ARG 140 Ca 0.04 -1.33 -0.30 0.00 -1.04 0.00 0.00 55.73 53.11 2kkz s ARG 140 Cb -0.02 0.31 -0.06 0.00 -2.04 0.00 0.00 34.95 33.14 2kkz s ARG 140 CO 0.05 -0.35 1.65 -1.17 -0.04 0.00 0.00 175.30 175.44 2kkz s LEU 141 N -3.02 4.34 -0.03 -1.89 0.20 -0.68 -0.88 118.68 116.72 2kkz s LEU 141 Ca 0.22 2.30 -0.01 0.00 0.69 0.00 0.00 54.13 57.33 2kkz s LEU 141 Cb 0.05 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.27 2kkz s LEU 141 CO 0.02 -0.90 -0.01 -0.08 -0.29 0.00 0.00 176.35 175.08 2kkz h GLU 142 N 9.17 0.00 -3.32 1.98 4.57 -1.38 -3.38 114.58 122.22 2kkz h GLU 142 Ca -0.40 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.49 2kkz h GLU 142 Cb 1.19 0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 29.44 2kkz h GLU 142 CO 0.94 0.00 -0.66 0.99 -1.18 0.00 0.00 179.01 179.10 2kkz s THR 143 N -1.20 -0.09 -0.33 0.32 2.01 -1.23 -3.83 115.64 111.29 2kkz s THR 143 Ca -0.01 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 2kkz s THR 143 Cb 0.00 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.33 2kkz s THR 143 CO 0.01 0.10 1.23 -0.22 -0.69 0.00 0.00 174.62 175.06 2kkz s LEU 144 N 1.42 3.85 -0.11 4.42 2.96 -1.26 -1.61 118.68 128.36 2kkz s LEU 144 Ca -0.06 1.06 -0.22 0.00 -0.22 0.00 0.00 54.13 54.69 2kkz s LEU 144 Cb -0.12 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.84 2kkz s LEU 144 CO -0.05 -1.07 0.69 0.40 -1.32 0.00 0.00 176.35 175.01 2kkz h ILE 145 N 5.96 1.26 -2.11 6.68 2.04 -1.82 -3.42 117.51 126.10 2kkz h ILE 145 Ca -0.24 -1.78 -0.06 0.00 1.00 0.00 0.00 64.86 63.78 2kkz h ILE 145 Cb 1.08 2.31 -0.20 0.00 -0.74 0.00 0.00 36.82 39.27 2kkz h ILE 145 CO 1.05 0.40 0.11 -0.22 0.00 0.00 0.00 178.15 179.49 2kkz s LEU 146 N -8.51 -0.54 0.03 1.44 2.96 -0.64 -4.57 118.68 108.86 2kkz s LEU 146 Ca -0.14 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2kkz s LEU 146 Cb -0.01 2.36 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 2kkz s LEU 146 CO 0.52 -0.42 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.88 2kkz s LEU 147 N -0.44 2.30 0.08 -0.68 0.20 -0.45 -0.74 118.68 118.95 2kkz s LEU 147 Ca -0.06 -0.62 -0.14 0.00 0.69 0.00 0.00 54.13 54.00 2kkz s LEU 147 Cb -0.03 0.07 0.02 0.00 -0.43 0.00 0.00 46.19 45.83 2kkz s LEU 147 CO 0.05 -0.35 0.32 0.00 -0.29 0.00 0.00 176.35 176.08 2kkz s ARG 148 N -2.03 0.90 -0.21 1.98 1.70 -0.61 -1.40 118.95 119.28 2kkz s ARG 148 Ca -0.10 -0.65 -0.00 0.00 -0.47 0.00 0.00 55.73 54.52 2kkz s ARG 148 Cb -0.06 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2kkz s ARG 148 CO -0.03 -0.31 -0.13 0.00 -1.08 0.00 0.00 175.30 173.75 2kkz s ALA 149 N -3.19 2.52 -0.04 7.88 0.00 -0.47 -2.20 121.76 126.27 2kkz s ALA 149 Ca -0.01 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 2kkz s ALA 149 Cb 0.01 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2kkz s ALA 149 CO -0.07 -0.56 0.19 -0.59 0.00 0.00 0.00 175.76 174.72 2kkz s PHE 150 N 1.31 -0.11 0.93 0.00 -0.71 -1.05 -1.66 117.98 116.69 2kkz s PHE 150 Ca 0.02 0.24 -0.11 0.00 -1.04 0.00 0.00 56.93 56.04 2kkz s PHE 150 Cb -0.15 0.03 0.15 0.00 -1.21 0.00 0.00 43.02 41.84 2kkz s PHE 150 CO -0.09 -0.21 1.10 0.95 -1.34 0.00 0.00 175.22 175.63 2kkz s THR 151 N -0.65 2.47 0.35 -4.49 -4.23 -0.93 -1.30 115.64 106.85 2kkz s THR 151 Ca -0.07 0.15 0.38 0.00 -1.18 0.00 0.00 61.69 60.97 2kkz s THR 151 Cb -0.04 -2.41 0.41 0.00 1.34 0.00 0.00 72.50 71.80 2kkz s THR 151 CO 0.01 -0.20 2.16 -0.33 -0.54 0.00 0.00 174.62 175.72 2kkz h GLU 152 N -1.78 0.00 -0.01 3.99 5.08 -1.88 -0.80 114.58 119.18 2kkz h GLU 152 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2kkz h GLU 152 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kkz h GLU 152 CO 0.49 0.00 -0.03 -0.85 -1.00 0.00 0.00 179.01 177.62 2kkz n GLU 153 N -3.02 1.11 -0.06 2.33 0.00 -1.26 -4.93 120.64 114.82 2kkz n GLU 153 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 57.16 56.77 2kkz n GLU 153 Cb 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.12 2kkz n GLU 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kkz n GLY 154 N 1.14 0.47 3.58 -1.84 0.00 -0.30 -5.03 105.19 103.21 2kkz n GLY 154 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.19 2.81 -0.07 4.61 0.00 -1.26 -4.79 121.76 120.87 2kkz s ALA 155 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 2kkz s ALA 155 Cb 0.00 -4.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.02 2kkz s ALA 155 CO 0.00 -2.88 1.02 0.42 0.00 0.00 0.00 175.76 174.32 2kkz s ILE 156 N 6.23 4.75 0.00 0.00 1.01 -1.26 -2.19 121.20 129.74 2kkz s ILE 156 Ca 0.57 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.22 2kkz s ILE 156 Cb -0.12 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.06 2kkz s ILE 156 CO 0.27 0.04 0.40 1.33 0.00 0.00 0.00 174.94 176.99 2kkz n VAL 157 N 4.38 0.15 -3.66 2.92 0.24 -1.00 -4.01 118.33 117.34 2kkz n VAL 157 Ca 0.08 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2kkz n VAL 157 Cb 0.49 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.15 -0.27 -0.25 7.63 0.00 -0.67 -2.60 107.32 111.01 2kkz s GLY 158 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 2kkz s GLY 158 CO 0.00 -0.04 0.90 1.85 0.00 0.00 0.00 173.10 175.81 2kkz s GLU 159 N -2.81 0.66 -0.16 2.90 2.12 -1.08 -1.37 118.70 118.96 2kkz s GLU 159 Ca -0.03 0.67 0.01 0.00 0.36 0.00 0.00 54.97 55.98 2kkz s GLU 159 Cb -0.00 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.73 2kkz s GLU 159 CO -0.05 -0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 174.79 2kkz s ILE 160 N 0.05 1.99 0.03 -3.70 1.01 -0.49 -1.20 121.20 118.88 2kkz s ILE 160 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2kkz s ILE 160 Cb -0.04 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2kkz s ILE 160 CO -0.02 0.53 -0.05 -0.44 0.00 0.00 0.00 174.94 174.96 2kkz s SER 161 N 1.16 0.58 0.28 3.58 0.01 -1.13 -1.34 113.70 116.84 2kkz s SER 161 Ca 0.01 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 2kkz s SER 161 Cb -0.14 0.04 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 2kkz s SER 161 CO -0.09 -0.19 1.59 -2.16 0.41 0.00 0.00 173.24 172.80 2kkz s PRO 162 N -1.26 4.14 0.50 12.44 0.04 -1.26 -1.23 135.00 148.37 2kkz s PRO 162 Ca -0.10 2.55 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 2kkz s PRO 162 Cb -0.08 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 2kkz s PRO 162 CO -0.00 -0.63 1.34 -0.51 0.04 0.00 0.00 177.00 177.25 2kkz s LEU 163 N -0.28 3.95 0.15 -3.56 1.43 -0.47 -4.86 118.68 115.04 2kkz s LEU 163 Ca 0.64 2.73 -0.32 0.00 -1.03 0.00 0.00 54.13 56.15 2kkz s LEU 163 Cb -0.47 -4.17 -0.12 0.00 0.03 0.00 0.00 46.19 41.46 2kkz s LEU 163 CO 0.45 -1.35 1.77 -2.65 0.23 0.00 0.00 176.35 174.80 2kkz n PRO 164 N -0.70 2.68 -1.00 1.29 -0.02 -1.26 -1.28 135.00 134.71 2kkz n PRO 164 Ca 0.08 0.97 -0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2kkz n PRO 164 Cb 0.45 -2.83 -0.00 0.00 -0.02 0.00 0.00 33.50 31.09 2kkz n PRO 164 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kkz n SER 165 N 4.84 -3.91 -3.38 2.55 7.64 -1.26 -4.96 113.62 115.14 2kkz n SER 165 Ca 0.17 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.80 2kkz n SER 165 Cb 0.35 -1.42 -0.09 0.00 -1.01 0.00 0.00 64.21 62.05 2kkz n SER 165 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2kkz n PHE 166 N -2.70 0.97 -1.45 1.43 3.72 -0.40 -4.97 117.46 114.06 2kkz n PHE 166 Ca -0.00 -3.75 -0.33 0.00 -0.05 0.00 0.00 57.45 53.32 2kkz n PHE 166 Cb 0.15 -0.31 0.05 0.00 -0.94 0.00 0.00 39.48 38.44 2kkz n PHE 166 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kkz n PRO 167 N 1.64 2.56 -3.29 -1.08 -0.04 -1.26 -3.52 135.00 130.01 2kkz n PRO 167 Ca 0.25 -3.03 -0.25 0.00 -0.04 0.00 0.00 63.50 60.43 2kkz n PRO 167 Cb 0.47 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.47 3.96 3.34 0.55 0.00 -1.26 -5.07 105.19 106.23 2kkz n GLY 168 Ca 0.55 -2.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.96 2.04 0.54 1.61 -3.43 -1.26 -4.86 115.29 107.97 2kkz s HIS 169 Ca 0.38 -0.40 0.07 0.00 -0.80 0.00 0.00 55.06 54.31 2kkz s HIS 169 Cb 0.17 -1.11 0.10 0.00 -1.43 0.00 0.00 32.58 30.31 2kkz s HIS 169 CO -0.06 0.27 0.75 0.25 -2.00 0.00 0.00 174.74 173.95 2kkz n THR 170 N 0.99 0.00 -0.31 -5.38 -2.24 -1.26 -4.85 114.28 101.23 2kkz n THR 170 Ca -0.19 -1.66 0.05 0.00 -2.27 0.00 0.00 64.05 59.98 2kkz n THR 170 Cb 0.53 -0.65 0.19 0.00 -2.10 0.00 0.00 70.33 68.31 2kkz n THR 170 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2kkz h ILE 171 N -0.05 0.88 -0.89 2.28 2.10 -1.75 -2.96 117.51 117.13 2kkz h ILE 171 Ca -0.25 -0.28 0.07 0.00 1.08 0.00 0.00 64.86 65.48 2kkz h ILE 171 Cb 1.11 -0.00 -0.06 0.00 -1.09 0.00 0.00 36.82 36.77 2kkz h ILE 171 CO 0.34 0.15 0.56 -0.33 -1.08 0.00 0.00 178.15 177.78 2kkz h GLU 172 N 0.81 0.97 -0.74 2.19 4.39 -1.94 -1.28 114.58 118.98 2kkz h GLU 172 Ca 0.43 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 60.01 2kkz h GLU 172 Cb 0.44 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2kkz h GLU 172 CO -0.27 0.64 0.23 -0.44 -1.16 0.00 0.00 179.01 178.01 2kkz h ASP 173 N 1.00 1.08 0.17 1.42 5.19 -1.92 -2.83 116.42 120.54 2kkz h ASP 173 Ca 0.39 -0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.50 2kkz h ASP 173 Cb 0.20 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 2kkz h ASP 173 CO -0.18 1.00 -0.35 0.58 -3.12 0.00 0.00 179.24 177.17 2kkz h VAL 174 N 1.10 1.29 -0.62 -1.35 2.07 -1.24 -0.96 116.25 116.53 2kkz h VAL 174 Ca 0.24 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2kkz h VAL 174 Cb 0.31 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2kkz h VAL 174 CO -0.01 0.42 0.32 0.11 0.02 0.00 0.00 177.57 178.43 2kkz h LYS 175 N 0.23 0.88 -0.41 1.57 1.57 -1.07 -1.60 116.57 117.75 2kkz h LYS 175 Ca 0.03 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 2kkz h LYS 175 Cb 0.74 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2kkz h LYS 175 CO 0.06 0.70 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.50 2kkz h ASN 176 N 0.85 0.90 0.20 0.86 2.35 -1.32 -2.94 115.58 116.48 2kkz h ASN 176 Ca 0.22 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2kkz h ASN 176 Cb 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2kkz h ASN 176 CO -0.03 1.12 -0.18 0.00 -1.65 0.00 0.00 177.43 176.69 2kkz h ALA 177 N 0.81 -0.38 -0.44 -0.83 0.00 -0.83 0.22 119.26 117.82 2kkz h ALA 177 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kkz h ALA 177 Cb 0.79 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2kkz h ALA 177 CO 0.07 -0.73 0.10 0.82 0.00 0.00 0.00 179.25 179.50 2kkz h ILE 178 N -0.40 1.20 -0.13 0.00 2.04 -1.41 -2.04 117.51 116.77 2kkz h ILE 178 Ca -0.00 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 2kkz h ILE 178 Cb 0.37 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2kkz h ILE 178 CO -0.03 0.26 -0.24 1.23 0.00 0.00 0.00 178.15 179.36 2kkz h GLY 179 N 0.86 0.25 0.79 5.37 0.00 -1.20 -0.71 103.07 108.42 2kkz h GLY 179 Ca 0.15 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 2kkz h GLY 179 CO -0.00 0.17 -0.39 -2.08 0.00 0.00 0.00 176.54 174.23 2kkz h VAL 180 N 0.21 1.39 -0.30 4.60 2.07 -0.55 -0.69 116.25 122.98 2kkz h VAL 180 Ca 0.03 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 65.87 2kkz h VAL 180 Cb 0.55 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 2kkz h VAL 180 CO 0.04 0.51 -0.05 0.25 0.02 0.00 0.00 177.57 178.34 2kkz h LEU 181 N 0.00 -0.23 -0.33 2.57 5.85 -1.21 -0.88 115.31 121.08 2kkz h LEU 181 Ca -0.02 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2kkz h LEU 181 Cb 1.03 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2kkz h LEU 181 CO 0.08 -0.08 0.11 0.40 -0.34 0.00 0.00 178.44 178.61 2kkz h ILE 182 N 0.02 1.20 -0.85 4.05 2.04 -1.19 -2.11 117.51 120.68 2kkz h ILE 182 Ca 0.14 -0.65 0.12 0.00 1.00 0.00 0.00 64.86 65.47 2kkz h ILE 182 Cb 0.21 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2kkz h ILE 182 CO -0.29 0.22 0.55 1.23 0.00 0.00 0.00 178.15 179.87 2kkz h GLY 183 N 0.38 1.12 0.58 5.37 0.00 -0.67 0.11 103.07 109.95 2kkz h GLY 183 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2kkz h GLY 183 CO -0.00 0.13 -0.05 -1.33 0.00 0.00 0.00 176.54 175.29 2kkz h GLY 184 N 0.71 0.13 1.81 4.60 0.00 -1.03 -3.28 103.07 106.01 2kkz h GLY 184 Ca 0.41 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 2kkz h GLY 184 CO -0.17 0.12 -0.13 1.41 0.00 0.00 0.00 176.54 177.77 2kkz h LEU 185 N -0.35 0.22 -0.49 3.11 3.38 -0.61 -1.82 115.31 118.75 2kkz h LEU 185 Ca 0.01 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2kkz h LEU 185 Cb 0.57 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2kkz h LEU 185 CO 0.01 0.37 -0.00 -0.33 0.09 0.00 0.00 178.44 178.58 2kkz h GLU 186 N 0.22 0.87 -0.03 1.13 5.08 -0.92 0.21 114.58 121.14 2kkz h GLU 186 Ca 0.05 -0.28 -0.20 0.00 -1.00 0.00 0.00 59.36 57.93 2kkz h GLU 186 Cb 0.36 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kkz h GLU 186 CO 0.02 0.91 -0.83 0.00 -1.00 0.00 0.00 179.01 178.11 2kkz h ARG 187 N 0.73 0.35 0.00 2.33 3.08 -1.57 -2.01 114.38 117.29 2kkz h ARG 187 Ca 0.14 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2kkz h ARG 187 Cb 0.52 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2kkz h ARG 187 CO 0.03 1.00 0.00 -0.91 -1.07 0.00 0.00 179.97 179.02 2kkz h ASN 188 N 0.22 0.00 -4.86 7.04 4.21 -1.19 -3.47 115.58 117.52 2kkz h ASN 188 Ca -0.05 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 2kkz h ASN 188 Cb 1.44 0.00 0.06 0.00 -1.12 0.00 0.00 38.32 38.70 2kkz h ASN 188 CO 0.14 0.00 -0.27 -0.67 -1.29 0.00 0.00 177.43 175.34 2kkz n ASP 189 N -2.32 -6.15 -4.26 5.81 2.03 0.19 -4.12 116.55 107.73 2kkz n ASP 189 Ca 0.01 -0.25 -0.29 0.00 0.52 0.00 0.00 54.79 54.77 2kkz n ASP 189 Cb 0.18 -4.27 -0.16 0.00 -0.72 0.00 0.00 41.12 36.15 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 -2.99 2.75 -0.60 1.67 0.01 0.51 -0.70 114.94 115.59 2kkz s ASN 190 Ca 0.14 -0.43 -0.28 0.00 -0.71 0.00 0.00 52.86 51.59 2kkz s ASN 190 Cb -0.02 -0.34 0.02 0.00 0.41 0.00 0.00 41.25 41.33 2kkz s ASN 190 CO 0.58 0.28 1.30 -0.89 -1.51 0.00 0.00 177.10 176.86 2kkz s THR 191 N -0.52 3.88 -0.00 1.60 2.01 0.09 -4.43 115.64 118.26 2kkz s THR 191 Ca 0.08 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 2kkz s THR 191 Cb -0.09 -4.63 -0.03 0.00 0.01 0.00 0.00 72.50 67.75 2kkz s THR 191 CO -0.01 -1.34 0.95 0.68 -0.69 0.00 0.00 174.62 174.21 2kkz s VAL 192 N 5.54 4.87 -0.07 3.82 -7.23 -1.26 -1.60 120.40 124.47 2kkz s VAL 192 Ca 0.46 1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 62.61 2kkz s VAL 192 Cb -0.09 -4.29 0.02 0.00 0.56 0.00 0.00 36.38 32.59 2kkz s VAL 192 CO 0.24 0.18 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.57 2kkz s ARG 193 N 0.94 0.95 0.07 4.82 3.52 -0.88 -4.97 118.95 123.39 2kkz s ARG 193 Ca 0.50 -0.07 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 2kkz s ARG 193 Cb -0.21 -1.11 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 2kkz s ARG 193 CO 0.27 -0.22 0.17 0.08 -0.81 0.00 0.00 175.30 174.79 2kkz s VAL 194 N 1.56 5.10 0.46 7.11 1.01 -1.26 -0.88 120.40 133.50 2kkz s VAL 194 Ca -0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 2kkz s VAL 194 Cb -0.13 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 2kkz s VAL 194 CO -0.04 0.13 1.36 -0.24 0.00 0.00 0.00 175.10 176.31 2kkz n SER 195 N 0.34 2.90 -0.03 3.32 2.88 0.06 -4.78 113.62 118.29 2kkz n SER 195 Ca -0.06 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.67 2kkz n SER 195 Cb 0.51 -1.56 0.52 0.00 -0.75 0.00 0.00 64.21 62.94 2kkz n SER 195 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kkz h LYS 196 N 2.02 0.33 -0.04 -1.46 2.10 -1.97 0.29 116.57 117.84 2kkz h LYS 196 Ca -0.50 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.10 2kkz h LYS 196 Cb 1.29 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2kkz h LYS 196 CO 0.60 0.22 -0.09 1.79 -2.00 0.00 0.00 179.45 179.96 2kkz h THR 197 N 0.34 1.45 -0.54 0.07 1.35 -1.98 -3.31 112.91 110.29 2kkz h THR 197 Ca 0.23 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 2kkz h THR 197 Cb 0.46 2.34 -0.03 0.00 -1.73 0.00 0.00 68.15 69.19 2kkz h THR 197 CO -0.06 0.40 0.20 -0.07 -0.25 0.00 0.00 175.52 175.74 2kkz h LEU 198 N -0.41 0.72 -1.62 3.87 3.38 -1.63 -0.38 115.31 119.23 2kkz h LEU 198 Ca -0.00 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.99 2kkz h LEU 198 Cb 0.70 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2kkz h LEU 198 CO 0.02 0.66 0.44 1.56 0.09 0.00 0.00 178.44 181.22 2kkz h GLN 199 N 0.78 0.39 0.00 1.13 4.20 -1.07 0.88 115.11 121.41 2kkz h GLN 199 Ca 0.18 -0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.51 2kkz h GLN 199 Cb 0.18 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 2kkz h GLN 199 CO -0.01 0.26 -2.38 2.89 -0.67 0.00 0.00 178.83 178.91 2kkz n ARG 200 N -4.47 0.62 0.02 1.46 1.85 -1.06 -2.63 116.66 112.46 2kkz n ARG 200 Ca 0.12 0.13 -0.15 0.00 -1.00 0.00 0.00 57.85 56.95 2kkz n ARG 200 Cb 0.44 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.32 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 0.87 0.00 2.89 0.04 -0.85 -3.37 116.94 116.51 2kkz h PHE 201 Ca -0.54 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 59.83 2kkz h PHE 201 Cb 1.86 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.88 2kkz h PHE 201 CO 0.03 1.21 -0.22 0.00 -0.60 0.00 0.00 178.31 178.73 2kkz n ALA 202 N -2.58 3.00 0.31 2.45 0.00 -0.61 -1.68 120.51 121.41 2kkz n ALA 202 Ca -0.07 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.57 2kkz n ALA 202 Cb 0.76 0.30 1.06 0.00 0.00 0.00 0.00 19.45 21.56 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 0.00 0.00 0.00 0.00 2.91 -1.04 -3.44 115.95 114.38 2kkz h TRP 203 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2kkz h TRP 203 Cb 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 2kkz h TRP 203 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.82 2kkz n GLY 204 N -1.18 0.43 3.30 2.65 0.00 -1.08 -4.97 105.19 104.33 2kkz n GLY 204 Ca -0.02 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 2kkz n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkz s SER 205 N -4.00 5.14 -0.29 1.61 0.15 -1.25 -4.10 113.70 110.96 2kkz s SER 205 Ca 0.00 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 55.75 2kkz s SER 205 Cb 0.00 -1.85 0.17 0.00 -1.71 0.00 0.00 66.02 62.63 2kkz s SER 205 CO 0.00 -0.25 0.48 -0.55 1.20 0.00 0.00 173.24 174.12 2kkz s SER 206 N 1.44 -0.43 -1.06 5.45 0.15 -1.24 -4.98 113.70 113.02 2kkz s SER 206 Ca 0.00 -0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.38 2kkz s SER 206 Cb -0.18 1.50 0.01 0.00 -1.71 0.00 0.00 66.02 65.64 2kkz s SER 206 CO 0.02 -0.32 1.69 0.21 1.20 0.00 0.00 173.24 176.03 2kkz s ASN 207 N 2.66 6.04 0.76 5.45 3.84 -1.26 -4.37 114.94 128.06 2kkz s ASN 207 Ca 0.11 -1.45 -0.11 0.00 0.21 0.00 0.00 52.86 51.62 2kkz s ASN 207 Cb -0.12 -2.57 0.05 0.00 -0.55 0.00 0.00 41.25 38.06 2kkz s ASN 207 CO -0.27 -1.95 1.08 -1.83 -2.79 0.00 0.00 177.10 171.34 2kkz s GLU 208 N 5.55 2.37 -0.37 0.43 4.04 -1.26 -5.06 118.70 124.39 2kkz s GLU 208 Ca 0.56 1.03 0.02 0.00 0.04 0.00 0.00 54.97 56.62 2kkz s GLU 208 Cb -0.01 -1.92 0.15 0.00 0.02 0.00 0.00 34.13 32.37 2kkz s GLU 208 CO -0.02 -1.52 0.29 -0.80 -1.84 0.00 0.00 175.26 171.36 2kkz s ASN 209 N -3.56 2.14 -0.20 0.83 0.01 -1.26 -5.11 114.94 107.79 2kkz s ASN 209 Ca 0.60 -2.10 -0.29 0.00 -0.71 0.00 0.00 52.86 50.37 2kkz s ASN 209 Cb -0.16 -0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.42 2kkz s ASN 209 CO 0.56 -0.27 1.59 -0.83 -1.51 0.00 0.00 177.10 176.63 2kkz s GLY 210 N 1.06 1.29 0.61 0.66 0.00 -1.26 -5.01 107.32 104.67 2kkz s GLY 210 Ca 0.20 0.52 -0.19 0.00 0.00 0.00 0.00 44.72 45.24 2kkz s GLY 210 CO -0.02 2.96 1.31 0.50 0.00 0.00 0.00 173.10 177.85 2kkz s ARG 211 N 4.50 2.79 0.22 2.90 0.52 -1.26 -4.94 118.95 123.69 2kkz s ARG 211 Ca 0.70 2.11 -0.32 0.00 -0.52 0.00 0.00 55.73 57.70 2kkz s ARG 211 Cb -0.25 -2.00 -0.14 0.00 0.52 0.00 0.00 34.95 33.08 2kkz s ARG 211 CO 0.28 -1.42 1.35 -0.35 0.02 0.00 0.00 175.30 175.18 2kkz n PRO 212 N -1.57 1.81 -1.81 3.54 -0.04 -1.26 -4.82 135.00 130.85 2kkz n PRO 212 Ca 0.14 0.65 -0.20 0.00 -0.04 0.00 0.00 63.50 64.04 2kkz n PRO 212 Cb 0.47 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.59 2kkz n PRO 212 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2kkz s PRO 213 N -0.35 1.92 0.02 0.54 0.04 -1.26 -4.86 135.00 131.05 2kkz s PRO 213 Ca 0.70 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2kkz s PRO 213 Cb -0.70 -5.01 -0.02 0.00 0.04 0.00 0.00 34.50 28.81 2kkz s PRO 213 CO 0.50 -4.37 -0.04 -0.51 0.04 0.00 0.00 177.00 172.62 2kkz s LEU 214 N 13.40 2.23 0.00 -3.56 1.43 -1.26 -5.11 118.68 125.81 2kkz s LEU 214 Ca 0.79 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2kkz s LEU 214 Cb -0.06 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.21 2kkz s LEU 214 CO 0.10 -0.27 0.00 0.41 0.23 0.00 0.00 176.35 176.82 2kkz n THR 215 N 1.66 0.00 -4.10 5.49 -1.04 -1.26 -5.17 114.28 109.86 2kkz n THR 215 Ca -0.23 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 2kkz n THR 215 Cb 0.55 -0.17 -0.10 0.00 -1.82 0.00 0.00 70.33 68.80 2kkz n THR 215 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2kkz s LEU 216 N -2.31 1.88 0.00 -4.42 1.43 -1.26 -5.29 118.68 108.71 2kkz s LEU 216 Ca 0.00 -1.10 0.27 0.00 -1.03 0.00 0.00 54.13 52.27 2kkz s LEU 216 Cb 0.00 0.38 0.85 0.00 0.03 0.00 0.00 46.19 47.45 2kkz s LEU 216 CO 0.00 -0.71 1.63 -0.62 0.23 0.00 0.00 176.35 176.88