#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 0.13 -3.03 3.17 -0.02 -1.26 -4.88 135.00 129.11 2kkz n PRO 85 Ca 0.00 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2kkz n PRO 85 Cb 0.00 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 2kkz n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkz n ALA 86 N -1.73 -0.69 -2.73 3.55 0.00 -1.26 -1.19 120.51 116.47 2kkz n ALA 86 Ca 0.00 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 2kkz n ALA 86 Cb 0.11 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.37 2kkz n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kkz s SER 87 N -3.12 6.43 -0.09 0.00 0.15 -1.26 -3.13 113.70 112.67 2kkz s SER 87 Ca 0.30 0.50 -0.25 0.00 0.70 0.00 0.00 55.95 57.20 2kkz s SER 87 Cb -0.13 -2.18 0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2kkz s SER 87 CO 0.37 0.10 0.58 -0.60 1.20 0.00 0.00 173.24 174.89 2kkz s ARG 88 N 0.46 0.88 -0.39 5.44 3.52 -1.15 -4.96 118.95 122.75 2kkz s ARG 88 Ca 0.16 0.31 -0.16 0.00 -0.13 0.00 0.00 55.73 55.91 2kkz s ARG 88 Cb -0.13 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2kkz s ARG 88 CO 0.04 -0.23 0.38 0.71 -0.81 0.00 0.00 175.30 175.39 2kkz s TYR 89 N -0.83 3.20 0.27 5.12 2.02 -1.26 -0.32 117.35 125.55 2kkz s TYR 89 Ca -0.09 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.01 2kkz s TYR 89 Cb -0.02 -2.76 -0.09 0.00 -0.40 0.00 0.00 41.96 38.68 2kkz s TYR 89 CO 0.06 -0.59 1.01 0.42 -1.57 0.00 0.00 175.55 174.88 2kkz s ILE 90 N 2.01 3.82 -0.38 2.71 -1.09 -0.26 -4.95 121.20 123.06 2kkz s ILE 90 Ca 0.11 1.80 0.11 0.00 -2.23 0.00 0.00 60.65 60.43 2kkz s ILE 90 Cb -0.17 -4.13 0.34 0.00 -1.58 0.00 0.00 42.46 36.91 2kkz s ILE 90 CO 0.12 0.40 0.73 0.35 -1.23 0.00 0.00 174.94 175.32 2kkz n THR 91 N 1.26 -0.21 0.52 2.92 -2.24 -1.26 -3.02 114.28 112.25 2kkz n THR 91 Ca -0.01 -4.32 0.13 0.00 -2.27 0.00 0.00 64.05 57.57 2kkz n THR 91 Cb 0.46 -0.32 0.44 0.00 -2.10 0.00 0.00 70.33 68.81 2kkz n THR 91 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kkz h ASP 92 N 3.11 0.00 -3.45 3.42 5.19 -1.89 -3.41 116.42 119.40 2kkz h ASP 92 Ca 0.08 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.83 2kkz h ASP 92 Cb 0.97 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.26 2kkz h ASP 92 CO 0.47 0.00 -0.70 -0.04 -3.12 0.00 0.00 179.24 175.85 2kkz s MET 93 N -3.20 3.27 0.74 3.56 -1.94 -1.26 -4.74 119.30 115.73 2kkz s MET 93 Ca 0.08 -0.57 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 2kkz s MET 93 Cb 0.11 -2.73 0.04 0.00 2.01 0.00 0.00 34.83 34.25 2kkz s MET 93 CO 0.52 0.39 1.08 0.95 -0.01 0.00 0.00 175.02 177.95 2kkz s THR 94 N -0.08 3.57 0.41 2.05 -4.23 -1.26 -4.84 115.64 111.25 2kkz s THR 94 Ca 0.01 0.52 0.12 0.00 -1.18 0.00 0.00 61.69 61.16 2kkz s THR 94 Cb -0.13 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.94 2kkz s THR 94 CO 0.03 -0.65 1.94 0.40 -0.54 0.00 0.00 174.62 175.80 2kkz h ILE 95 N -0.91 0.88 0.57 2.99 5.03 -1.98 -0.53 117.51 123.56 2kkz h ILE 95 Ca -0.44 -0.18 -0.02 0.00 -0.12 0.00 0.00 64.86 64.10 2kkz h ILE 95 Cb 1.22 0.33 -0.01 0.00 -3.03 0.00 0.00 36.82 35.33 2kkz h ILE 95 CO 0.53 0.09 -0.43 -0.33 -0.68 0.00 0.00 178.15 177.34 2kkz h GLU 96 N 0.51 -0.93 0.00 2.37 5.08 -1.97 -2.11 114.58 117.53 2kkz h GLU 96 Ca 0.33 0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2kkz h GLU 96 Cb 0.60 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2kkz h GLU 96 CO -0.11 -0.62 -0.44 1.05 -1.00 0.00 0.00 179.01 177.89 2kkz h GLU 97 N -0.97 0.00 0.17 2.33 4.11 -1.86 -1.69 114.58 116.67 2kkz h GLU 97 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2kkz h GLU 97 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2kkz h GLU 97 CO 0.03 0.44 -0.08 1.25 0.07 0.00 0.00 179.01 180.71 2kkz h LEU 98 N 0.00 -0.19 -1.26 3.06 6.46 -1.11 -3.21 115.31 119.06 2kkz h LEU 98 Ca -0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2kkz h LEU 98 Cb 1.01 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2kkz h LEU 98 CO 0.06 0.00 0.00 -0.24 -0.62 0.00 0.00 178.44 177.64 2kkz n SER 99 N -5.12 1.93 -4.73 1.25 2.88 -0.80 -4.92 113.62 104.11 2kkz n SER 99 Ca -0.09 -1.69 -0.42 0.00 -1.33 0.00 0.00 58.87 55.35 2kkz n SER 99 Cb 0.17 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.86 4.37 0.24 -1.46 3.52 -0.64 -5.03 118.95 118.08 2kkz s ARG 100 Ca 0.35 2.04 -0.12 0.00 -0.13 0.00 0.00 55.73 57.87 2kkz s ARG 100 Cb 0.20 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.29 2kkz s ARG 100 CO 0.30 -0.32 0.61 0.34 -0.81 0.00 0.00 175.30 175.41 2kkz s ASP 101 N 0.67 6.72 0.17 -2.12 2.15 -1.26 -5.02 116.67 117.99 2kkz s ASP 101 Ca 0.60 1.07 -0.14 0.00 0.43 0.00 0.00 52.55 54.51 2kkz s ASP 101 Cb -0.36 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 2kkz s ASP 101 CO 0.35 -0.07 0.41 -1.66 -0.17 0.00 0.00 175.17 174.02 2kkz s TRP 102 N -1.78 0.10 0.24 -5.34 1.48 -1.26 -5.11 118.94 107.26 2kkz s TRP 102 Ca 0.47 -0.45 0.10 0.00 -1.06 0.00 0.00 56.10 55.16 2kkz s TRP 102 Cb -0.12 0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 32.33 2kkz s TRP 102 CO 0.20 -0.81 -0.08 -0.59 -4.06 0.00 0.00 176.95 171.61 2kkz s PHE 103 N -3.91 2.57 0.06 1.66 -0.71 -1.26 -5.15 117.98 111.24 2kkz s PHE 103 Ca 0.12 -0.25 0.09 0.00 -1.04 0.00 0.00 56.93 55.84 2kkz s PHE 103 Cb 0.01 -1.17 -0.03 0.00 -1.21 0.00 0.00 43.02 40.62 2kkz s PHE 103 CO -0.03 0.61 -0.24 -1.64 -1.34 0.00 0.00 175.22 172.58 2kkz s MET 104 N -3.36 1.56 -0.16 1.99 -1.94 -1.26 -4.96 119.30 111.17 2kkz s MET 104 Ca 0.29 -1.08 -0.09 0.00 -1.71 0.00 0.00 55.69 53.10 2kkz s MET 104 Cb -0.07 -1.76 -0.23 0.00 2.01 0.00 0.00 34.83 34.79 2kkz s MET 104 CO 0.17 0.45 0.22 -0.11 -0.01 0.00 0.00 175.02 175.74 2kkz n LEU 105 N 1.66 2.50 -3.77 -0.03 7.94 -1.26 -4.69 117.00 119.35 2kkz n LEU 105 Ca -0.17 0.21 -0.29 0.00 -1.11 0.00 0.00 56.01 54.65 2kkz n LEU 105 Cb 0.53 -1.05 -0.12 0.00 0.53 0.00 0.00 43.42 43.30 2kkz n LEU 105 CO 0.23 0.74 -0.18 -0.04 -1.11 0.00 0.00 177.39 177.03 2kkz s MET 106 N -2.51 1.71 -0.27 1.96 -1.94 -1.26 -4.98 119.30 112.00 2kkz s MET 106 Ca -0.26 -2.53 -0.29 0.00 -1.71 0.00 0.00 55.69 50.90 2kkz s MET 106 Cb 0.07 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 2kkz s MET 106 CO 0.70 -1.22 1.60 -2.14 -0.01 0.00 0.00 175.02 173.95 2kkz s PRO 107 N -0.34 3.68 -0.30 2.03 0.02 -1.26 -2.14 135.00 136.69 2kkz s PRO 107 Ca 0.22 1.49 -0.13 0.00 0.02 0.00 0.00 61.00 62.60 2kkz s PRO 107 Cb -0.15 -4.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.28 2kkz s PRO 107 CO -0.08 -1.43 0.28 0.21 -0.33 0.00 0.00 177.00 175.66 2kkz s LYS 108 N 4.87 3.84 -0.57 5.54 2.47 -0.62 -5.00 119.74 130.26 2kkz s LYS 108 Ca 0.71 -0.28 -0.26 0.00 -1.56 0.00 0.00 55.97 54.58 2kkz s LYS 108 Cb -0.22 -3.71 0.04 0.00 -1.46 0.00 0.00 37.83 32.48 2kkz s LYS 108 CO 0.30 -0.31 1.09 -1.14 0.16 0.00 0.00 175.35 175.45 2kkz s GLN 109 N 1.89 3.42 0.05 4.03 2.00 -1.26 -3.70 119.66 126.09 2kkz s GLN 109 Ca 0.10 0.00 0.07 0.00 -2.00 0.00 0.00 55.36 53.53 2kkz s GLN 109 Cb -0.16 -4.04 -0.03 0.00 0.80 0.00 0.00 33.01 29.58 2kkz s GLN 109 CO 0.11 -1.62 -0.19 0.21 -0.50 0.00 0.00 175.29 173.30 2kkz s LYS 110 N 4.55 1.26 -0.00 1.67 2.47 -1.21 -5.08 119.74 123.40 2kkz s LYS 110 Ca 0.37 -0.91 0.01 0.00 -1.56 0.00 0.00 55.97 53.88 2kkz s LYS 110 Cb -0.10 -1.36 -0.00 0.00 -1.46 0.00 0.00 37.83 34.91 2kkz s LYS 110 CO 0.22 0.34 -0.04 0.08 0.16 0.00 0.00 175.35 176.11 2kkz s VAL 111 N -0.84 0.33 -0.52 4.02 1.01 -1.26 -0.84 120.40 122.30 2kkz s VAL 111 Ca 0.06 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2kkz s VAL 111 Cb -0.09 -0.29 0.15 0.00 0.00 0.00 0.00 36.38 36.16 2kkz s VAL 111 CO 0.02 0.10 0.32 -0.70 0.00 0.00 0.00 175.10 174.84 2kkz s GLU 112 N -0.05 1.67 7.81 2.72 2.56 -0.31 -4.88 118.70 128.22 2kkz s GLU 112 Ca 0.01 -2.48 0.00 0.00 0.00 0.00 0.00 54.97 52.50 2kkz s GLU 112 Cb -0.02 -2.67 0.00 0.00 2.00 0.00 0.00 34.13 33.44 2kkz s GLU 112 CO -0.00 -1.21 0.00 0.41 -0.56 0.00 0.00 175.26 173.89 2kkz n GLY 113 N 2.96 2.83 0.96 -1.50 0.00 -1.26 -3.09 105.19 106.10 2kkz n GLY 113 Ca 0.14 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 12.76 2.46 -4.63 1.61 -0.04 -1.26 -4.82 135.00 141.08 2kkz n PRO 114 Ca 0.00 -1.42 -0.23 0.00 -0.04 0.00 0.00 63.50 61.81 2kkz n PRO 114 Cb 0.00 -1.63 -0.15 0.00 -0.04 0.00 0.00 33.50 31.67 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 115 N -1.19 1.92 -0.11 1.53 1.02 -1.18 -1.26 118.68 119.40 2kkz s LEU 115 Ca 0.25 -0.26 -0.18 0.00 0.02 0.00 0.00 54.13 53.96 2kkz s LEU 115 Cb 0.17 -0.75 -0.04 0.00 0.02 0.00 0.00 46.19 45.59 2kkz s LEU 115 CO 0.11 0.14 0.47 0.00 0.02 0.00 0.00 176.35 177.09 2kkz s ILE 117 N 0.54 5.20 -0.05 0.00 -1.09 -0.02 -1.32 121.20 124.47 2kkz s ILE 117 Ca 0.26 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 2kkz s ILE 117 Cb -0.15 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.05 2kkz s ILE 117 CO 0.10 -0.14 0.04 -0.60 -1.23 0.00 0.00 174.94 173.11 2kkz s ARG 118 N -3.36 0.14 -0.05 2.79 6.06 0.54 -3.31 118.95 121.75 2kkz s ARG 118 Ca 0.34 0.29 0.05 0.00 -2.50 0.00 0.00 55.73 53.91 2kkz s ARG 118 Cb -0.11 -0.64 -0.01 0.00 0.06 0.00 0.00 34.95 34.26 2kkz s ARG 118 CO 0.28 -0.31 -0.20 0.42 -2.50 0.00 0.00 175.30 172.98 2kkz s ILE 119 N 2.05 1.68 -0.33 4.11 -1.09 -1.24 -2.57 121.20 123.81 2kkz s ILE 119 Ca 0.04 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 2kkz s ILE 119 Cb -0.12 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.31 2kkz s ILE 119 CO -0.04 0.48 0.21 -0.62 -1.23 0.00 0.00 174.94 173.74 2kkz s ASP 120 N 0.00 5.87 0.00 3.58 -1.08 -1.10 -1.59 116.67 122.35 2kkz s ASP 120 Ca -0.05 -0.49 0.29 0.00 -0.52 0.00 0.00 52.55 51.79 2kkz s ASP 120 Cb -0.13 -2.09 1.66 0.00 -1.46 0.00 0.00 42.92 40.90 2kkz s ASP 120 CO 0.03 -0.23 2.07 0.00 0.52 0.00 0.00 175.17 177.56 2kkz n GLN 121 N 5.06 0.74 -0.10 4.34 6.02 -0.91 -3.01 117.38 129.52 2kkz n GLN 121 Ca -0.13 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 2kkz n GLN 121 Cb 0.49 -1.50 -0.15 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 n ALA 122 N -1.10 1.48 -2.17 -1.58 0.00 -1.26 -4.92 120.51 110.95 2kkz n ALA 122 Ca 0.19 -1.25 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 2kkz n ALA 122 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 2kkz n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kkz s ILE 123 N -2.50 3.70 0.12 0.00 -1.09 -1.16 -4.97 121.20 115.29 2kkz s ILE 123 Ca -0.17 0.72 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 2kkz s ILE 123 Cb 0.07 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2kkz s ILE 123 CO 0.77 -0.53 -0.03 -0.04 -1.23 0.00 0.00 174.94 173.88 2kkz s MET 124 N 5.18 0.91 -1.87 2.79 -1.94 -1.26 -4.87 119.30 118.23 2kkz s MET 124 Ca 0.71 -1.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 2kkz s MET 124 Cb -0.19 -0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.51 2kkz s MET 124 CO 0.32 -0.09 0.00 -0.25 -0.01 0.00 0.00 175.02 175.00 2kkz n ASP 125 N -0.10 -5.21 -4.86 3.03 8.00 -0.51 -4.95 116.55 111.95 2kkz n ASP 125 Ca -0.10 0.44 -0.31 0.00 0.71 0.00 0.00 54.79 55.53 2kkz n ASP 125 Cb 0.62 -4.27 -0.05 0.00 -0.02 0.00 0.00 41.12 37.40 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kkz s LYS 126 N -3.49 3.21 -0.61 -1.24 -0.14 -1.26 -4.90 119.74 111.31 2kkz s LYS 126 Ca 0.00 -0.54 -0.23 0.00 -1.36 0.00 0.00 55.97 53.83 2kkz s LYS 126 Cb 0.00 -2.91 0.05 0.00 -1.68 0.00 0.00 37.83 33.30 2kkz s LYS 126 CO 0.00 0.59 0.95 -0.80 -0.76 0.00 0.00 175.35 175.33 2kkz s ASN 127 N -2.45 6.25 -0.06 2.83 0.01 -1.26 -1.68 114.94 118.58 2kkz s ASN 127 Ca 0.32 -0.68 -0.02 0.00 -0.71 0.00 0.00 52.86 51.77 2kkz s ASN 127 Cb -0.13 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2kkz s ASN 127 CO 0.25 -1.34 0.07 -0.63 -1.51 0.00 0.00 177.10 173.94 2kkz s ILE 128 N 4.02 4.77 -0.10 0.60 1.01 -0.51 -2.31 121.20 128.67 2kkz s ILE 128 Ca 0.26 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2kkz s ILE 128 Cb -0.15 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2kkz s ILE 128 CO 0.15 0.50 -0.13 -0.32 0.00 0.00 0.00 174.94 175.13 2kkz s MET 129 N -1.28 2.00 -0.58 2.79 1.75 0.42 -0.83 119.30 123.56 2kkz s MET 129 Ca 0.18 -0.48 -0.21 0.00 -1.25 0.00 0.00 55.69 53.93 2kkz s MET 129 Cb -0.12 -1.75 0.07 0.00 2.84 0.00 0.00 34.83 35.87 2kkz s MET 129 CO 0.08 -0.09 0.83 -0.51 -0.65 0.00 0.00 175.02 174.67 2kkz s LEU 130 N 1.07 4.65 -0.13 4.11 1.43 -0.20 -1.58 118.68 128.04 2kkz s LEU 130 Ca -0.06 -0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2kkz s LEU 130 Cb -0.15 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2kkz s LEU 130 CO -0.02 -1.19 -0.12 -0.54 0.23 0.00 0.00 176.35 174.70 2kkz s LYS 131 N 3.42 3.41 0.08 1.70 1.02 -0.15 -1.42 119.74 127.80 2kkz s LYS 131 Ca 0.20 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2kkz s LYS 131 Cb -0.18 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2kkz s LYS 131 CO 0.12 0.21 -0.08 0.00 -0.92 0.00 0.00 175.35 174.68 2kkz s ALA 132 N 0.36 0.91 -0.08 5.17 0.00 -1.26 -1.21 121.76 125.65 2kkz s ALA 132 Ca -0.10 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2kkz s ALA 132 Cb -0.16 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2kkz s ALA 132 CO 0.05 -0.08 -0.18 -0.80 0.00 0.00 0.00 175.76 174.75 2kkz s ASN 133 N -2.35 3.64 0.16 0.00 -0.87 -0.52 -2.59 114.94 112.41 2kkz s ASN 133 Ca 0.03 -0.36 -0.24 0.00 -1.57 0.00 0.00 52.86 50.71 2kkz s ASN 133 Cb -0.03 -1.10 0.06 0.00 -0.02 0.00 0.00 41.25 40.17 2kkz s ASN 133 CO -0.01 0.25 0.77 0.72 -2.57 0.00 0.00 177.10 176.26 2kkz s PHE 134 N -0.16 -0.31 0.30 2.20 -0.12 -1.17 -2.00 117.98 116.73 2kkz s PHE 134 Ca -0.02 0.02 -0.16 0.00 -0.05 0.00 0.00 56.93 56.73 2kkz s PHE 134 Cb -0.14 0.62 -0.09 0.00 -0.63 0.00 0.00 43.02 42.78 2kkz s PHE 134 CO 0.04 -0.89 0.73 -1.54 -0.05 0.00 0.00 175.22 173.50 2kkz s SER 135 N -2.79 6.83 0.11 1.98 1.04 -0.80 -1.10 113.70 118.98 2kkz s SER 135 Ca 0.07 1.30 0.08 0.00 0.48 0.00 0.00 55.95 57.87 2kkz s SER 135 Cb -0.02 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 2kkz s SER 135 CO -0.03 -0.15 -0.18 -0.69 0.98 0.00 0.00 173.24 173.17 2kkz s VAL 136 N -1.88 1.60 -0.15 5.02 1.01 0.57 -0.98 120.40 125.60 2kkz s VAL 136 Ca 0.51 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 2kkz s VAL 136 Cb -0.12 -1.55 0.06 0.00 0.00 0.00 0.00 36.38 34.78 2kkz s VAL 136 CO 0.18 -0.19 0.64 -0.51 0.00 0.00 0.00 175.10 175.23 2kkz s ILE 137 N -1.51 0.00 -1.70 2.22 1.10 -0.77 -2.94 121.20 117.61 2kkz s ILE 137 Ca 0.08 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 2kkz s ILE 137 Cb -0.08 -0.93 0.00 0.00 0.15 0.00 0.00 42.46 41.60 2kkz s ILE 137 CO 0.04 -0.02 0.00 0.49 -2.11 0.00 0.00 174.94 173.34 2kkz n PHE 138 N 1.87 -0.78 -1.19 3.50 3.72 -0.33 -1.29 117.46 122.95 2kkz n PHE 138 Ca -0.17 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.17 2kkz n PHE 138 Cb 0.56 -3.46 -0.03 0.00 -0.94 0.00 0.00 39.48 35.61 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 -1.65 -4.68 -4.46 4.37 8.00 -1.23 -5.01 116.55 111.88 2kkz n ASP 139 Ca -0.21 0.16 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 2kkz n ASP 139 Cb 0.64 -2.75 -0.10 0.00 -0.02 0.00 0.00 41.12 38.89 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 -2.16 1.66 0.01 -1.24 1.70 -0.41 -4.64 118.95 113.87 2kkz s ARG 140 Ca 0.00 -1.77 -0.30 0.00 -0.47 0.00 0.00 55.73 53.19 2kkz s ARG 140 Cb 0.00 -1.68 -0.07 0.00 -0.57 0.00 0.00 34.95 32.63 2kkz s ARG 140 CO 0.00 0.29 1.61 -1.17 -1.08 0.00 0.00 175.30 174.94 2kkz s LEU 141 N -3.50 4.34 -0.01 -1.89 0.20 -1.15 -1.84 118.68 114.84 2kkz s LEU 141 Ca 0.29 2.33 -0.00 0.00 0.69 0.00 0.00 54.13 57.44 2kkz s LEU 141 Cb -0.03 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2kkz s LEU 141 CO 0.14 -0.87 0.06 -0.08 -0.29 0.00 0.00 176.35 175.31 2kkz h GLU 142 N 8.67 -0.00 -3.07 1.98 4.22 -1.34 -3.42 114.58 121.62 2kkz h GLU 142 Ca -0.41 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 58.83 2kkz h GLU 142 Cb 1.19 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.14 2kkz h GLU 142 CO 0.93 -0.00 -0.52 0.99 -2.18 0.00 0.00 179.01 178.23 2kkz s THR 143 N -1.15 -0.06 -0.22 0.32 2.01 -1.21 -4.43 115.64 110.91 2kkz s THR 143 Ca -0.00 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 2kkz s THR 143 Cb 0.00 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 2kkz s THR 143 CO 0.00 0.07 1.51 -0.22 -0.69 0.00 0.00 174.62 175.29 2kkz s LEU 144 N 1.30 3.95 -0.07 4.42 2.96 -1.26 -1.90 118.68 128.09 2kkz s LEU 144 Ca -0.09 1.57 -0.21 0.00 -0.22 0.00 0.00 54.13 55.19 2kkz s LEU 144 Cb -0.11 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 2kkz s LEU 144 CO -0.08 -1.14 0.82 0.40 -1.32 0.00 0.00 176.35 175.03 2kkz h ILE 145 N 5.99 0.97 -1.99 6.68 2.04 -1.79 -3.44 117.51 125.97 2kkz h ILE 145 Ca -0.32 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 2kkz h ILE 145 Cb 1.14 1.67 -0.19 0.00 -0.74 0.00 0.00 36.82 38.70 2kkz h ILE 145 CO 1.00 0.27 0.20 -0.22 0.00 0.00 0.00 178.15 179.40 2kkz s LEU 146 N -8.85 -0.66 0.04 1.44 2.96 -0.84 -4.61 118.68 108.16 2kkz s LEU 146 Ca -0.13 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 2kkz s LEU 146 Cb -0.00 2.52 -0.02 0.00 0.50 0.00 0.00 46.19 49.19 2kkz s LEU 146 CO 0.49 -0.60 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.61 2kkz s LEU 147 N -1.15 2.23 0.06 -0.68 0.20 -0.68 -1.43 118.68 117.23 2kkz s LEU 147 Ca -0.11 -0.52 -0.03 0.00 0.69 0.00 0.00 54.13 54.17 2kkz s LEU 147 Cb -0.00 -0.28 -0.03 0.00 -0.43 0.00 0.00 46.19 45.45 2kkz s LEU 147 CO 0.10 -0.14 0.03 -0.13 -0.29 0.00 0.00 176.35 175.92 2kkz s ARG 148 N -1.45 0.66 -0.27 1.98 0.52 -0.35 -1.12 118.95 118.92 2kkz s ARG 148 Ca -0.06 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 2kkz s ARG 148 Cb -0.09 0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.66 2kkz s ARG 148 CO 0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 175.30 175.13 2kkz s ALA 149 N -3.78 2.72 -0.11 2.13 0.00 -0.54 -0.98 121.76 121.21 2kkz s ALA 149 Ca 0.05 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 2kkz s ALA 149 Cb 0.06 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2kkz s ALA 149 CO -0.10 -1.07 -0.02 -0.06 0.00 0.00 0.00 175.76 174.51 2kkz s PHE 150 N 1.26 3.08 0.28 0.00 0.40 -0.61 -1.24 117.98 121.16 2kkz s PHE 150 Ca -0.04 -0.00 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 2kkz s PHE 150 Cb -0.18 -1.85 0.06 0.00 0.51 0.00 0.00 43.02 41.56 2kkz s PHE 150 CO -0.03 0.26 0.39 0.25 0.70 0.00 0.00 175.22 176.79 2kkz n THR 151 N 2.70 0.00 -0.28 0.64 -2.24 -0.64 -0.44 114.28 114.03 2kkz n THR 151 Ca -0.18 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.41 2kkz n THR 151 Cb 0.53 -1.78 0.37 0.00 -2.10 0.00 0.00 70.33 67.35 2kkz n THR 151 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kkz h GLU 152 N 0.00 0.69 -0.00 -0.78 4.39 -1.82 -1.33 114.58 115.73 2kkz h GLU 152 Ca -0.13 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2kkz h GLU 152 Cb 0.36 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kkz h GLU 152 CO 0.09 0.46 -0.01 0.39 -1.16 0.00 0.00 179.01 178.78 2kkz n GLU 153 N -4.58 0.47 -1.43 2.33 1.02 -1.26 -4.89 120.64 112.29 2kkz n GLU 153 Ca 0.18 -0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 2kkz n GLU 153 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 2kkz n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kkz n GLY 154 N 1.28 0.57 3.66 0.62 0.00 -0.50 -5.02 105.19 105.80 2kkz n GLY 154 Ca 0.14 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.20 3.61 -0.42 4.61 0.00 -1.26 -4.68 121.76 121.43 2kkz s ALA 155 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 2kkz s ALA 155 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2kkz s ALA 155 CO 0.00 -0.88 1.38 0.42 0.00 0.00 0.00 175.76 176.67 2kkz s ILE 156 N 2.75 3.95 0.00 0.00 1.01 -1.26 -1.61 121.20 126.03 2kkz s ILE 156 Ca 0.40 0.97 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2kkz s ILE 156 Cb -0.16 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.06 2kkz s ILE 156 CO 0.09 -0.78 0.58 1.33 0.00 0.00 0.00 174.94 176.17 2kkz n VAL 157 N 7.01 0.18 -3.77 2.92 0.24 -0.37 -4.81 118.33 119.73 2kkz n VAL 157 Ca 0.16 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 2kkz n VAL 157 Cb 0.48 0.93 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.18 -0.08 -0.11 7.63 0.00 -1.21 -2.70 107.32 110.67 2kkz s GLY 158 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 2kkz s GLY 158 CO 0.00 -0.19 0.87 1.85 0.00 0.00 0.00 173.10 175.62 2kkz s GLU 159 N -3.89 0.78 -0.29 2.90 2.12 -1.06 -1.47 118.70 117.78 2kkz s GLU 159 Ca 0.10 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.62 2kkz s GLU 159 Cb -0.03 0.37 0.09 0.00 0.26 0.00 0.00 34.13 34.82 2kkz s GLU 159 CO 0.01 -0.25 0.05 0.42 -0.54 0.00 0.00 175.26 174.96 2kkz s ILE 160 N -1.18 1.27 -0.29 -3.70 1.01 -0.27 -0.34 121.20 117.70 2kkz s ILE 160 Ca -0.05 -1.50 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 2kkz s ILE 160 Cb -0.00 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2kkz s ILE 160 CO 0.05 -0.52 0.02 -0.55 0.00 0.00 0.00 174.94 173.94 2kkz s SER 161 N 1.44 4.83 0.29 3.58 0.15 -0.43 -1.68 113.70 121.88 2kkz s SER 161 Ca 0.06 -0.93 -0.30 0.00 0.70 0.00 0.00 55.95 55.48 2kkz s SER 161 Cb -0.18 -1.77 -0.12 0.00 -1.71 0.00 0.00 66.02 62.24 2kkz s SER 161 CO -0.17 -0.20 1.49 -0.81 1.20 0.00 0.00 173.24 174.76 2kkz n PRO 162 N 4.74 2.44 -1.72 5.44 -0.04 -1.26 -1.06 135.00 143.54 2kkz n PRO 162 Ca -0.15 0.87 -0.43 0.00 -0.04 0.00 0.00 63.50 63.75 2kkz n PRO 162 Cb 0.46 -2.58 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 2kkz n PRO 162 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkz n LEU 163 N 1.78 3.93 0.00 1.53 4.77 -0.39 -4.79 117.00 123.84 2kkz n LEU 163 Ca 0.08 1.17 0.15 0.00 -0.03 0.00 0.00 56.01 57.38 2kkz n LEU 163 Cb 0.35 -1.53 0.60 0.00 -2.33 0.00 0.00 43.42 40.51 2kkz n LEU 163 CO 0.63 -0.15 1.17 -0.65 -1.33 0.00 0.00 177.39 177.06 2kkz h PRO 164 N 3.85 0.18 0.00 3.23 0.11 -1.91 -1.47 132.00 135.99 2kkz h PRO 164 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kkz h PRO 164 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kkz h PRO 164 CO 0.72 0.12 0.00 0.43 -0.21 0.00 0.00 178.00 179.06 2kkz n SER 165 N -4.45 0.00 -3.62 -2.05 7.64 -1.26 -4.43 113.62 105.45 2kkz n SER 165 Ca 0.08 0.04 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 2kkz n SER 165 Cb 0.42 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.17 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kkz s PHE 166 N -2.66 1.52 -2.00 1.43 0.08 -0.55 -5.00 117.98 110.80 2kkz s PHE 166 Ca 0.22 -2.13 0.18 0.00 0.12 0.00 0.00 56.93 55.32 2kkz s PHE 166 Cb 0.17 -1.53 1.08 0.00 -0.57 0.00 0.00 43.02 42.18 2kkz s PHE 166 CO 0.42 -0.80 1.58 -0.35 -0.10 0.00 0.00 175.22 175.96 2kkz n PRO 167 N 3.72 0.82 -3.81 0.24 -0.04 -1.26 -4.38 135.00 130.29 2kkz n PRO 167 Ca 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2kkz n PRO 167 Cb 0.35 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 2kkz n PRO 167 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kkz s GLY 168 N -1.75 -0.10 0.14 0.55 0.00 -1.26 -5.16 107.32 99.74 2kkz s GLY 168 Ca 0.27 0.32 -0.10 0.00 0.00 0.00 0.00 44.72 45.21 2kkz s GLY 168 CO 0.21 0.17 0.29 -2.38 0.00 0.00 0.00 173.10 171.39 2kkz s HIS 169 N -0.79 0.25 0.47 1.90 -3.43 -1.26 -4.98 115.29 107.46 2kkz s HIS 169 Ca -0.09 -0.63 -0.11 0.00 -0.80 0.00 0.00 55.06 53.43 2kkz s HIS 169 Cb -0.05 0.00 -0.06 0.00 -1.43 0.00 0.00 32.58 31.04 2kkz s HIS 169 CO 0.02 -0.69 0.86 0.95 -2.00 0.00 0.00 174.74 173.88 2kkz s THR 170 N -3.92 4.73 0.47 -5.38 -4.23 -1.26 -4.87 115.64 101.18 2kkz s THR 170 Ca 0.12 0.74 0.15 0.00 -1.18 0.00 0.00 61.69 61.52 2kkz s THR 170 Cb 0.03 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.40 2kkz s THR 170 CO -0.04 -0.71 2.06 -0.29 -0.54 0.00 0.00 174.62 175.11 2kkz h ILE 171 N 0.71 0.96 -0.45 2.99 2.10 -1.81 -2.19 117.51 119.82 2kkz h ILE 171 Ca -0.47 -0.08 -0.11 0.00 1.08 0.00 0.00 64.86 65.29 2kkz h ILE 171 Cb 1.19 0.71 -0.02 0.00 -1.09 0.00 0.00 36.82 37.61 2kkz h ILE 171 CO 0.63 0.04 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.26 2kkz h GLU 172 N 0.24 0.85 -0.33 2.19 5.08 -1.93 -2.66 114.58 118.02 2kkz h GLU 172 Ca 0.14 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2kkz h GLU 172 Cb 0.26 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kkz h GLU 172 CO -0.03 0.94 0.07 -0.44 -1.00 0.00 0.00 179.01 178.55 2kkz h ASP 173 N 0.76 0.44 0.17 1.42 3.32 -1.78 -2.60 116.42 118.15 2kkz h ASP 173 Ca 0.12 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2kkz h ASP 173 Cb 0.67 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2kkz h ASP 173 CO 0.05 0.46 -0.08 0.58 -1.72 0.00 0.00 179.24 178.52 2kkz h VAL 174 N 0.47 0.94 -0.33 -1.35 2.07 -1.35 -1.39 116.25 115.33 2kkz h VAL 174 Ca 0.11 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2kkz h VAL 174 Cb 0.21 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2kkz h VAL 174 CO -0.00 0.15 0.04 0.07 0.02 0.00 0.00 177.57 177.85 2kkz h LYS 175 N -0.56 0.48 -0.37 1.57 2.10 -1.38 0.18 116.57 118.58 2kkz h LYS 175 Ca -0.02 -0.08 -0.16 0.00 -2.00 0.00 0.00 60.65 58.39 2kkz h LYS 175 Cb 0.42 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2kkz h LYS 175 CO 0.04 0.48 -0.38 -0.91 -2.00 0.00 0.00 179.45 176.68 2kkz h ASN 176 N 0.47 0.98 -0.97 7.07 4.21 -1.52 -1.84 115.58 123.99 2kkz h ASN 176 Ca 0.11 -0.47 0.01 0.00 1.21 0.00 0.00 56.30 57.16 2kkz h ASN 176 Cb 0.24 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.12 2kkz h ASN 176 CO 0.00 1.24 0.64 0.00 -1.29 0.00 0.00 177.43 178.03 2kkz h ALA 177 N 0.76 1.23 -0.43 -0.83 0.00 -0.26 -1.62 119.26 118.11 2kkz h ALA 177 Ca 0.06 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2kkz h ALA 177 Cb 0.97 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kkz h ALA 177 CO 0.09 0.61 -0.24 0.82 0.00 0.00 0.00 179.25 180.54 2kkz h ILE 178 N 1.30 1.27 -0.45 0.00 2.04 -0.94 -1.97 117.51 118.77 2kkz h ILE 178 Ca 0.36 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 2kkz h ILE 178 Cb -0.14 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2kkz h ILE 178 CO -0.08 0.47 0.16 1.23 0.00 0.00 0.00 178.15 179.93 2kkz h GLY 179 N 0.91 0.70 1.32 5.37 0.00 -0.73 -0.05 103.07 110.59 2kkz h GLY 179 Ca 0.10 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 46.82 2kkz h GLY 179 CO 0.07 0.33 -1.03 -2.08 0.00 0.00 0.00 176.54 173.82 2kkz h VAL 180 N 0.65 1.32 -0.31 4.60 2.07 -1.21 -1.11 116.25 122.25 2kkz h VAL 180 Ca 0.16 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 65.38 2kkz h VAL 180 Cb 0.16 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 2kkz h VAL 180 CO -0.01 0.71 0.09 0.25 0.02 0.00 0.00 177.57 178.63 2kkz h LEU 181 N 0.34 0.09 -0.11 2.57 5.85 -1.06 -1.39 115.31 121.59 2kkz h LEU 181 Ca -0.12 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2kkz h LEU 181 Cb 1.68 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2kkz h LEU 181 CO 0.20 0.08 0.06 0.40 -0.34 0.00 0.00 178.44 178.84 2kkz h ILE 182 N 0.22 1.06 -0.64 4.05 2.04 -1.02 -2.66 117.51 120.57 2kkz h ILE 182 Ca 0.14 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2kkz h ILE 182 Cb 0.13 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 2kkz h ILE 182 CO -0.16 0.05 0.32 1.23 0.00 0.00 0.00 178.15 179.60 2kkz h GLY 183 N 0.11 0.93 2.00 5.37 0.00 -0.96 0.11 103.07 110.63 2kkz h GLY 183 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2kkz h GLY 183 CO -0.01 0.10 -0.29 -1.33 0.00 0.00 0.00 176.54 175.01 2kkz h GLY 184 N 0.59 0.00 1.48 4.60 0.00 -1.21 -2.84 103.07 105.69 2kkz h GLY 184 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.35 2kkz h GLY 184 CO -0.22 0.00 -1.36 1.41 0.00 0.00 0.00 176.54 176.37 2kkz h LEU 185 N 0.00 0.24 -0.51 3.11 3.38 -0.93 -3.32 115.31 117.27 2kkz h LEU 185 Ca -0.00 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 2kkz h LEU 185 Cb 0.56 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kkz h LEU 185 CO 0.04 1.25 -0.27 -0.33 0.09 0.00 0.00 178.44 179.22 2kkz h GLU 186 N 0.04 0.92 0.00 1.13 4.39 -0.64 -2.81 114.58 117.62 2kkz h GLU 186 Ca -0.17 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2kkz h GLU 186 Cb 1.94 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2kkz h GLU 186 CO 0.15 1.08 0.00 0.07 -1.16 0.00 0.00 179.01 179.15 2kkz h ARG 187 N 0.78 0.00 0.00 2.33 0.11 -1.66 -1.61 114.38 114.33 2kkz h ARG 187 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2kkz h ARG 187 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2kkz h ARG 187 CO 0.07 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 179.23 2kkz h ASN 188 N 0.00 0.00 -4.60 0.08 4.21 -1.60 -3.48 115.58 110.18 2kkz h ASN 188 Ca 0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 2kkz h ASN 188 Cb 0.57 0.00 0.08 0.00 -1.12 0.00 0.00 38.32 37.84 2kkz h ASN 188 CO 0.00 0.00 -0.33 0.47 -1.29 0.00 0.00 177.43 176.28 2kkz n ASP 189 N -2.37 -5.42 -4.09 5.81 8.00 -0.61 -4.56 116.55 113.31 2kkz n ASP 189 Ca 0.04 -0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.15 2kkz n ASP 189 Cb 0.38 -3.74 -0.11 0.00 -0.02 0.00 0.00 41.12 37.64 2kkz n ASP 189 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kkz s ASN 190 N -3.00 0.81 -0.47 -2.24 2.20 -1.19 -1.43 114.94 109.62 2kkz s ASN 190 Ca 0.17 -0.75 -0.16 0.00 -0.94 0.00 0.00 52.86 51.18 2kkz s ASN 190 Cb -0.02 0.09 0.06 0.00 -2.00 0.00 0.00 41.25 39.38 2kkz s ASN 190 CO 0.49 -0.36 0.42 -0.89 -2.94 0.00 0.00 177.10 173.83 2kkz s THR 191 N -2.46 5.18 0.10 0.54 2.01 -0.68 -4.46 115.64 115.87 2kkz s THR 191 Ca -0.01 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 2kkz s THR 191 Cb -0.03 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2kkz s THR 191 CO -0.03 -0.58 0.29 0.68 -0.69 0.00 0.00 174.62 174.29 2kkz s VAL 192 N 1.82 5.28 -0.01 3.82 -7.23 -1.26 -1.42 120.40 121.40 2kkz s VAL 192 Ca 0.06 -0.21 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 2kkz s VAL 192 Cb -0.23 -3.63 -0.00 0.00 0.56 0.00 0.00 36.38 33.08 2kkz s VAL 192 CO 0.08 0.08 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.26 2kkz s ARG 193 N -2.63 0.73 0.03 4.82 6.06 -0.01 -4.94 118.95 123.00 2kkz s ARG 193 Ca 0.38 -0.30 -0.04 0.00 -2.50 0.00 0.00 55.73 53.28 2kkz s ARG 193 Cb -0.12 -0.70 -0.04 0.00 0.06 0.00 0.00 34.95 34.14 2kkz s ARG 193 CO 0.27 0.16 0.24 0.08 -2.50 0.00 0.00 175.30 173.55 2kkz s VAL 194 N -0.11 5.35 0.49 7.11 1.01 -1.26 -1.03 120.40 131.96 2kkz s VAL 194 Ca 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 2kkz s VAL 194 Cb -0.04 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2kkz s VAL 194 CO -0.00 0.27 1.09 -0.24 0.00 0.00 0.00 175.10 176.22 2kkz n SER 195 N 0.78 1.54 -0.31 3.32 2.88 -0.50 -4.78 113.62 116.56 2kkz n SER 195 Ca -0.09 0.97 0.15 0.00 -1.33 0.00 0.00 58.87 58.58 2kkz n SER 195 Cb 0.52 -1.42 0.40 0.00 -0.75 0.00 0.00 64.21 62.96 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 1.33 0.62 0.06 -1.46 2.10 -1.98 -0.49 116.57 116.75 2kkz h LYS 196 Ca -0.47 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2kkz h LYS 196 Cb 1.33 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2kkz h LYS 196 CO 0.56 0.41 -0.03 1.79 -2.00 0.00 0.00 179.45 180.17 2kkz h THR 197 N 0.63 1.24 -0.94 0.07 1.35 -1.97 -3.31 112.91 109.99 2kkz h THR 197 Ca 0.53 -1.39 0.07 0.00 -0.55 0.00 0.00 66.41 65.07 2kkz h THR 197 Cb 0.98 2.10 -0.06 0.00 -1.73 0.00 0.00 68.15 69.44 2kkz h THR 197 CO -0.28 0.33 0.61 -0.07 -0.25 0.00 0.00 175.52 175.85 2kkz h LEU 198 N -0.75 0.93 -1.07 3.87 3.38 -1.78 -0.25 115.31 119.65 2kkz h LEU 198 Ca -0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2kkz h LEU 198 Cb 0.60 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2kkz h LEU 198 CO 0.01 0.59 0.63 1.56 0.09 0.00 0.00 178.44 181.32 2kkz h GLN 199 N 1.05 1.18 0.00 1.13 4.20 -1.20 0.09 115.11 121.56 2kkz h GLN 199 Ca 0.41 -0.07 -0.37 0.00 0.06 0.00 0.00 58.65 58.68 2kkz h GLN 199 Cb 0.23 -0.27 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 2kkz h GLN 199 CO -0.17 0.78 -2.41 2.89 -0.67 0.00 0.00 178.83 179.25 2kkz n ARG 200 N -4.44 0.68 -0.01 1.46 -4.01 -0.97 -0.30 116.66 109.07 2kkz n ARG 200 Ca 0.13 0.03 -0.12 0.00 -1.04 0.00 0.00 57.85 56.85 2kkz n ARG 200 Cb 0.09 -1.52 -0.09 0.00 -3.04 0.00 0.00 32.46 27.90 2kkz n ARG 200 CO 0.00 0.00 0.00 0.74 -3.04 0.00 0.00 177.63 175.33 2kkz h PHE 201 N 0.00 -0.07 0.00 2.89 0.04 -1.05 -3.37 116.94 115.38 2kkz h PHE 201 Ca -0.56 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 59.98 2kkz h PHE 201 Cb 2.16 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 40.30 2kkz h PHE 201 CO 0.01 0.53 -1.73 0.00 -0.60 0.00 0.00 178.31 176.52 2kkz n ALA 202 N -2.54 2.06 -0.11 2.45 0.00 -0.84 -2.92 120.51 118.60 2kkz n ALA 202 Ca -0.08 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 2kkz n ALA 202 Cb 0.31 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.52 0.67 0.00 0.00 2.91 -1.13 -2.81 115.95 115.07 2kkz h TRP 203 Ca -0.35 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.55 2kkz h TRP 203 Cb 1.27 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2kkz h TRP 203 CO -0.06 0.74 -0.03 0.78 -1.03 0.00 0.00 178.44 178.84 2kkz h GLY 204 N 0.40 0.00 -5.85 2.65 0.00 -0.85 -3.45 103.07 95.98 2kkz h GLY 204 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.87 2kkz h GLY 204 CO 0.02 0.00 1.26 -0.45 0.00 0.00 0.00 176.54 177.37 2kkz s SER 205 N -4.86 6.23 0.30 0.19 0.15 -1.06 -4.96 113.70 109.70 2kkz s SER 205 Ca 0.10 2.24 -0.01 0.00 0.70 0.00 0.00 55.95 58.97 2kkz s SER 205 Cb 0.11 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2kkz s SER 205 CO 0.62 -1.29 0.36 -0.44 1.20 0.00 0.00 173.24 173.69 2kkz s SER 206 N 5.16 0.83 -1.36 5.45 0.01 -1.26 -4.94 113.70 117.59 2kkz s SER 206 Ca 0.86 -1.46 -0.03 0.00 1.31 0.00 0.00 55.95 56.63 2kkz s SER 206 Cb -0.36 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2kkz s SER 206 CO 0.36 -1.14 0.39 0.59 0.41 0.00 0.00 173.24 173.86 2kkz n ASN 207 N -1.10 -5.35 -0.19 2.44 3.02 -1.26 -5.01 115.26 107.80 2kkz n ASN 207 Ca 0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2kkz n ASN 207 Cb 0.63 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 2kkz n ASN 207 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kkz n GLU 208 N -3.31 3.54 0.20 3.52 1.02 -1.26 -5.12 120.64 119.23 2kkz n GLU 208 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2kkz n GLU 208 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 2kkz n GLU 208 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kkz n ASN 209 N 0.00 -3.12 0.00 1.62 2.85 -1.26 -5.05 115.26 110.30 2kkz n ASN 209 Ca 0.00 0.75 0.00 0.00 -0.11 0.00 0.00 54.58 55.22 2kkz n ASN 209 Cb 0.00 2.97 0.00 0.00 1.24 0.00 0.00 39.78 43.99 2kkz n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kkz n GLY 210 N -0.85 1.08 3.05 8.20 0.00 -1.26 -4.95 105.19 110.47 2kkz n GLY 210 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2kkz n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkz n ARG 211 N 0.00 -2.07 -1.88 1.61 1.74 -1.26 -4.97 116.66 109.83 2kkz n ARG 211 Ca 0.00 1.82 -0.32 0.00 -0.77 0.00 0.00 57.85 58.58 2kkz n ARG 211 Cb 0.00 -3.60 0.02 0.00 -1.02 0.00 0.00 32.46 27.86 2kkz n ARG 211 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kkz s PRO 212 N -1.92 3.29 -0.22 5.56 0.04 -1.26 -4.93 135.00 135.56 2kkz s PRO 212 Ca 0.15 1.01 -0.37 0.00 0.04 0.00 0.00 61.00 61.83 2kkz s PRO 212 Cb -0.03 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 2kkz s PRO 212 CO 0.61 -0.82 1.90 -2.30 0.04 0.00 0.00 177.00 176.43 2kkz n PRO 213 N -2.51 1.53 -1.84 0.56 -0.02 -1.26 -4.83 135.00 126.63 2kkz n PRO 213 Ca 0.08 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 2kkz n PRO 213 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 214 N 4.60 3.44 0.37 2.45 1.43 -1.26 -4.94 118.68 124.77 2kkz s LEU 214 Ca 0.99 1.29 -0.27 0.00 -1.03 0.00 0.00 54.13 55.11 2kkz s LEU 214 Cb -0.88 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 2kkz s LEU 214 CO 0.57 -2.04 1.27 0.42 0.23 0.00 0.00 176.35 176.80 2kkz s THR 215 N 8.35 2.79 0.12 5.49 -4.23 -1.26 -5.03 115.64 121.86 2kkz s THR 215 Ca 0.86 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 62.13 2kkz s THR 215 Cb -0.23 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 2kkz s THR 215 CO 0.31 0.13 0.09 0.00 -0.54 0.00 0.00 174.62 174.61 2kkz n LEU 216 N 0.43 0.00 -0.54 4.79 -0.00 -1.26 -5.30 117.00 115.11 2kkz n LEU 216 Ca 0.02 -1.09 0.07 0.00 -0.00 0.00 0.00 56.01 55.01 2kkz n LEU 216 Cb 0.43 0.53 0.06 0.00 -0.00 0.00 0.00 43.42 44.44 2kkz n LEU 216 CO 0.56 -0.18 0.47 -1.84 -0.00 0.00 0.00 177.39 176.40