#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 4.22 -0.29 0.03 0.04 -1.26 -5.03 135.00 132.70 2kkz s PRO 85 Ca 0.00 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 2kkz s PRO 85 Cb 0.00 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.20 2kkz s PRO 85 CO 0.00 -0.05 1.22 0.00 0.04 0.00 0.00 177.00 178.20 2kkz s ALA 86 N -1.96 3.44 -0.29 8.56 0.00 -1.26 -4.91 121.76 125.34 2kkz s ALA 86 Ca 0.60 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 2kkz s ALA 86 Cb -0.14 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.18 2kkz s ALA 86 CO 0.18 -1.61 2.24 -1.13 0.00 0.00 0.00 175.76 175.45 2kkz n SER 87 N 7.24 2.78 -4.83 0.00 3.41 -1.26 -4.93 113.62 116.04 2kkz n SER 87 Ca 0.14 0.20 -0.36 0.00 -0.26 0.00 0.00 58.87 58.58 2kkz n SER 87 Cb 0.47 -1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 62.89 2kkz n SER 87 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kkz s ARG 88 N 6.53 3.47 -0.52 4.33 3.52 -1.11 -4.78 118.95 130.40 2kkz s ARG 88 Ca 1.04 -0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 56.30 2kkz s ARG 88 Cb -0.50 -3.16 0.12 0.00 -1.56 0.00 0.00 34.95 29.85 2kkz s ARG 88 CO 0.39 0.70 0.46 0.71 -0.81 0.00 0.00 175.30 176.75 2kkz s TYR 89 N -0.82 3.27 -0.20 5.12 2.02 -1.26 -0.47 117.35 125.01 2kkz s TYR 89 Ca 0.14 -1.29 -0.29 0.00 -0.37 0.00 0.00 57.07 55.25 2kkz s TYR 89 Cb -0.12 -3.65 0.00 0.00 -0.40 0.00 0.00 41.96 37.79 2kkz s TYR 89 CO 0.03 -0.98 1.11 0.42 -1.57 0.00 0.00 175.55 174.56 2kkz s ILE 90 N 1.58 4.55 -0.45 2.71 -1.09 0.30 -4.93 121.20 123.87 2kkz s ILE 90 Ca 0.03 1.87 -0.01 0.00 -2.23 0.00 0.00 60.65 60.31 2kkz s ILE 90 Cb -0.29 -4.21 0.12 0.00 -1.58 0.00 0.00 42.46 36.51 2kkz s ILE 90 CO 0.03 -0.15 0.23 0.42 -1.23 0.00 0.00 174.94 174.25 2kkz s THR 91 N 3.19 3.18 -0.13 2.92 -4.23 -1.26 -1.30 115.64 118.00 2kkz s THR 91 Ca 0.48 -2.37 0.17 0.00 -1.18 0.00 0.00 61.69 58.78 2kkz s THR 91 Cb -0.18 -3.17 -0.11 0.00 1.34 0.00 0.00 72.50 70.38 2kkz s THR 91 CO 0.10 -0.72 0.91 -0.78 -0.54 0.00 0.00 174.62 173.58 2kkz h ASP 92 N 7.67 0.00 -2.87 3.99 3.58 -1.90 -3.46 116.42 123.44 2kkz h ASP 92 Ca -0.09 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.71 2kkz h ASP 92 Cb 1.01 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.99 2kkz h ASP 92 CO 0.67 0.56 -0.52 -0.04 -2.88 0.00 0.00 179.24 177.03 2kkz s MET 93 N -2.94 3.32 0.75 0.28 -1.94 -1.26 -4.89 119.30 112.62 2kkz s MET 93 Ca -0.02 -0.32 -0.11 0.00 -1.71 0.00 0.00 55.69 53.53 2kkz s MET 93 Cb 0.09 -3.04 0.04 0.00 2.01 0.00 0.00 34.83 33.92 2kkz s MET 93 CO 0.80 0.69 1.08 0.99 -0.01 0.00 0.00 175.02 178.57 2kkz s THR 94 N -1.20 3.57 0.29 2.05 2.01 -1.26 -4.87 115.64 116.23 2kkz s THR 94 Ca 0.23 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2kkz s THR 94 Cb -0.12 -3.15 0.29 0.00 0.01 0.00 0.00 72.50 69.52 2kkz s THR 94 CO 0.13 -0.67 1.87 0.40 -0.69 0.00 0.00 174.62 175.66 2kkz h ILE 95 N -0.96 0.97 0.18 1.82 5.03 -2.00 -1.67 117.51 120.87 2kkz h ILE 95 Ca -0.45 -0.34 -0.01 0.00 -0.12 0.00 0.00 64.86 63.94 2kkz h ILE 95 Cb 1.23 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 2kkz h ILE 95 CO 0.55 0.18 -0.09 -0.33 -0.68 0.00 0.00 178.15 177.79 2kkz h GLU 96 N 0.99 -0.23 0.00 2.37 3.07 -1.94 -0.92 114.58 117.92 2kkz h GLU 96 Ca 0.45 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.26 2kkz h GLU 96 Cb 0.39 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2kkz h GLU 96 CO -0.21 0.05 -0.35 1.05 -1.40 0.00 0.00 179.01 178.15 2kkz h GLU 97 N -0.51 0.00 -0.34 2.33 4.11 -1.93 -0.44 114.58 117.80 2kkz h GLU 97 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.35 2kkz h GLU 97 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kkz h GLU 97 CO 0.04 0.35 -0.02 1.25 0.07 0.00 0.00 179.01 180.69 2kkz h LEU 98 N 0.00 0.61 -3.56 3.06 6.46 -1.19 -3.16 115.31 117.53 2kkz h LEU 98 Ca -0.00 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.40 2kkz h LEU 98 Cb 0.78 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 2kkz h LEU 98 CO 0.04 0.79 0.04 -0.24 -0.62 0.00 0.00 178.44 178.45 2kkz n SER 99 N -4.49 5.59 -4.74 1.25 2.88 -0.36 -4.98 113.62 108.76 2kkz n SER 99 Ca -0.02 -2.97 -0.41 0.00 -1.33 0.00 0.00 58.87 54.15 2kkz n SER 99 Cb 0.29 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.78 4.75 0.07 -1.46 6.06 -0.20 -5.00 118.95 120.39 2kkz s ARG 100 Ca 0.54 1.46 -0.25 0.00 -2.50 0.00 0.00 55.73 54.98 2kkz s ARG 100 Cb 0.42 -3.34 -0.06 0.00 0.06 0.00 0.00 34.95 32.02 2kkz s ARG 100 CO 0.15 0.32 0.75 -0.51 -2.50 0.00 0.00 175.30 173.52 2kkz s ASP 101 N -0.41 7.24 -0.06 -2.12 1.01 -1.26 -5.04 116.67 116.04 2kkz s ASP 101 Ca 0.45 1.48 -0.05 0.00 0.71 0.00 0.00 52.55 55.14 2kkz s ASP 101 Cb -0.24 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.24 2kkz s ASP 101 CO 0.30 0.08 0.15 -1.66 0.21 0.00 0.00 175.17 174.26 2kkz s TRP 102 N -0.37 -0.17 -0.05 4.23 1.48 -1.26 -5.05 118.94 117.75 2kkz s TRP 102 Ca 0.37 0.43 -0.13 0.00 -1.06 0.00 0.00 56.10 55.71 2kkz s TRP 102 Cb -0.21 0.03 -0.05 0.00 -1.16 0.00 0.00 33.47 32.08 2kkz s TRP 102 CO 0.23 -0.10 0.35 -0.59 -4.06 0.00 0.00 176.95 172.78 2kkz s PHE 103 N 0.33 3.66 -0.12 1.66 -0.71 -1.26 -5.09 117.98 116.44 2kkz s PHE 103 Ca -0.02 0.86 0.02 0.00 -1.04 0.00 0.00 56.93 56.74 2kkz s PHE 103 Cb -0.03 -2.25 0.02 0.00 -1.21 0.00 0.00 43.02 39.54 2kkz s PHE 103 CO -0.01 0.58 -0.16 0.00 -1.34 0.00 0.00 175.22 174.29 2kkz s MET 104 N -0.78 2.40 0.22 1.99 0.23 -1.26 -4.96 119.30 117.15 2kkz s MET 104 Ca 0.21 -0.62 0.15 0.00 -1.03 0.00 0.00 55.69 54.41 2kkz s MET 104 Cb -0.15 -2.05 0.01 0.00 -1.53 0.00 0.00 34.83 31.10 2kkz s MET 104 CO 0.10 -0.09 1.29 1.37 -2.03 0.00 0.00 175.02 175.66 2kkz h LEU 105 N 7.54 0.00 -6.99 0.18 -0.00 -1.99 -3.37 115.31 110.68 2kkz h LEU 105 Ca -0.33 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 56.93 2kkz h LEU 105 Cb 1.17 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.42 2kkz h LEU 105 CO 0.51 0.52 -0.64 -0.04 -0.00 0.00 0.00 178.44 178.80 2kkz s MET 106 N -2.95 2.18 -0.41 0.17 -1.94 -1.26 -5.03 119.30 110.05 2kkz s MET 106 Ca 0.02 -3.10 -0.29 0.00 -1.71 0.00 0.00 55.69 50.61 2kkz s MET 106 Cb 0.08 -3.09 0.01 0.00 2.01 0.00 0.00 34.83 33.84 2kkz s MET 106 CO 0.76 -1.29 1.35 -2.14 -0.01 0.00 0.00 175.02 173.69 2kkz s PRO 107 N -1.14 3.64 -0.39 2.03 0.02 -1.26 -2.61 135.00 135.29 2kkz s PRO 107 Ca 0.26 0.90 -0.17 0.00 0.02 0.00 0.00 61.00 62.01 2kkz s PRO 107 Cb -0.05 -3.99 0.01 0.00 0.02 0.00 0.00 34.50 30.50 2kkz s PRO 107 CO -0.16 -1.48 0.45 0.21 -0.33 0.00 0.00 177.00 175.68 2kkz s LYS 108 N 4.76 3.32 -0.65 5.54 2.20 -0.64 -5.03 119.74 129.24 2kkz s LYS 108 Ca 0.58 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 55.45 2kkz s LYS 108 Cb -0.13 -3.90 0.10 0.00 -1.51 0.00 0.00 37.83 32.39 2kkz s LYS 108 CO 0.31 -0.74 0.84 -1.14 -0.36 0.00 0.00 175.35 174.26 2kkz s GLN 109 N 2.20 3.13 0.04 4.03 -0.44 -1.26 -2.88 119.66 124.48 2kkz s GLN 109 Ca 0.14 -1.21 0.03 0.00 -2.50 0.00 0.00 55.36 51.81 2kkz s GLN 109 Cb -0.16 -4.32 -0.04 0.00 -1.64 0.00 0.00 33.01 26.85 2kkz s GLN 109 CO 0.13 -1.66 0.02 0.21 0.50 0.00 0.00 175.29 174.49 2kkz s LYS 110 N 3.13 2.74 -0.06 1.67 2.47 -0.81 -5.03 119.74 123.83 2kkz s LYS 110 Ca 0.17 -0.69 0.02 0.00 -1.56 0.00 0.00 55.97 53.91 2kkz s LYS 110 Cb -0.19 -2.65 0.02 0.00 -1.46 0.00 0.00 37.83 33.55 2kkz s LYS 110 CO 0.06 0.59 -0.09 0.08 0.16 0.00 0.00 175.35 176.15 2kkz s VAL 111 N -1.21 0.93 -0.25 4.02 1.01 -1.26 -0.59 120.40 123.05 2kkz s VAL 111 Ca 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2kkz s VAL 111 Cb -0.12 -0.88 0.08 0.00 0.00 0.00 0.00 36.38 35.47 2kkz s VAL 111 CO 0.15 0.31 0.08 -0.70 0.00 0.00 0.00 175.10 174.94 2kkz s GLU 112 N 0.82 0.48 3.57 2.72 2.56 -0.42 -4.92 118.70 123.51 2kkz s GLU 112 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 54.97 54.27 2kkz s GLU 112 Cb -0.15 -1.81 0.00 0.00 2.00 0.00 0.00 34.13 34.17 2kkz s GLU 112 CO 0.02 -0.83 0.00 0.41 -0.56 0.00 0.00 175.26 174.30 2kkz n GLY 113 N 5.07 0.30 0.16 -1.50 0.00 -1.26 -3.08 105.19 104.88 2kkz n GLY 113 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2kkz n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kkz n PRO 114 N 1.76 0.69 -4.30 1.61 -0.02 -1.26 -4.82 135.00 128.67 2kkz n PRO 114 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 2kkz n PRO 114 Cb 0.00 -1.11 -0.12 0.00 -0.02 0.00 0.00 33.50 32.25 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 115 N -0.69 2.36 -0.07 2.45 1.02 -1.18 -1.06 118.68 121.52 2kkz s LEU 115 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.39 2kkz s LEU 115 Cb 0.00 -0.84 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 2kkz s LEU 115 CO 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 176.35 176.34 2kkz s ILE 117 N -0.86 3.60 -0.15 0.00 -1.09 0.24 -1.54 121.20 121.41 2kkz s ILE 117 Ca 0.13 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 2kkz s ILE 117 Cb -0.11 -2.64 0.02 0.00 -1.58 0.00 0.00 42.46 38.15 2kkz s ILE 117 CO 0.02 0.23 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.70 2kkz s ARG 118 N -1.90 2.24 -0.17 2.79 1.81 0.22 -1.93 118.95 122.01 2kkz s ARG 118 Ca 0.20 -0.54 -0.00 0.00 -1.72 0.00 0.00 55.73 53.67 2kkz s ARG 118 Cb -0.11 -2.07 -0.00 0.00 -0.45 0.00 0.00 34.95 32.32 2kkz s ARG 118 CO 0.12 -0.24 -0.14 0.42 -0.68 0.00 0.00 175.30 174.78 2kkz s ILE 119 N 1.50 2.71 -0.32 1.52 -1.09 -1.14 -2.87 121.20 121.52 2kkz s ILE 119 Ca 0.05 -0.74 -0.20 0.00 -2.23 0.00 0.00 60.65 57.53 2kkz s ILE 119 Cb -0.13 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.59 2kkz s ILE 119 CO -0.11 0.50 0.61 -0.62 -1.23 0.00 0.00 174.94 174.10 2kkz s ASP 120 N 0.98 6.45 0.33 3.58 -1.08 -1.16 -1.61 116.67 124.15 2kkz s ASP 120 Ca -0.02 0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 2kkz s ASP 120 Cb -0.15 -2.32 0.88 0.00 -1.46 0.00 0.00 42.92 39.87 2kkz s ASP 120 CO -0.02 -0.49 1.77 1.56 0.52 0.00 0.00 175.17 178.50 2kkz h GLN 121 N 8.27 0.00 0.10 4.34 4.20 -1.87 -3.23 115.11 126.92 2kkz h GLN 121 Ca -0.27 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.13 2kkz h GLN 121 Cb 1.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 2kkz h GLN 121 CO 0.80 0.00 -1.65 0.00 -0.67 0.00 0.00 178.83 177.31 2kkz h ALA 122 N 2.26 0.39 -1.85 3.87 0.00 -1.93 -3.45 119.26 118.55 2kkz h ALA 122 Ca 0.00 -1.23 -0.57 0.00 0.00 0.00 0.00 54.91 53.11 2kkz h ALA 122 Cb 0.63 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kkz h ALA 122 CO 0.00 1.25 1.22 0.42 0.00 0.00 0.00 179.25 182.14 2kkz s ILE 123 N -2.60 3.59 0.08 0.00 1.09 -1.22 -4.96 121.20 117.18 2kkz s ILE 123 Ca -0.11 0.60 0.02 0.00 -1.10 0.00 0.00 60.65 60.06 2kkz s ILE 123 Cb 0.07 -3.79 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 2kkz s ILE 123 CO 0.83 -0.50 -0.08 -0.04 -0.10 0.00 0.00 174.94 175.05 2kkz s MET 124 N 5.45 0.76 -1.89 2.79 -1.94 -1.26 -4.88 119.30 118.33 2kkz s MET 124 Ca 0.75 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 2kkz s MET 124 Cb -0.20 -0.31 0.00 0.00 2.01 0.00 0.00 34.83 36.33 2kkz s MET 124 CO 0.33 0.02 0.00 -3.47 -0.01 0.00 0.00 175.02 171.90 2kkz n ASP 125 N 0.50 -5.42 -4.78 3.03 2.03 0.20 -4.98 116.55 107.13 2kkz n ASP 125 Ca -0.16 0.28 -0.33 0.00 0.52 0.00 0.00 54.79 55.10 2kkz n ASP 125 Cb 0.58 -4.56 -0.07 0.00 -0.72 0.00 0.00 41.12 36.36 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 -4.18 3.04 -0.64 -0.67 -0.14 -1.26 -4.87 119.74 111.01 2kkz s LYS 126 Ca 0.00 -0.52 -0.25 0.00 -1.36 0.00 0.00 55.97 53.84 2kkz s LYS 126 Cb 0.00 -2.84 0.04 0.00 -1.68 0.00 0.00 37.83 33.36 2kkz s LYS 126 CO 0.00 0.63 1.09 -0.80 -0.76 0.00 0.00 175.35 175.51 2kkz s ASN 127 N -1.84 6.25 -0.03 2.83 0.02 -1.26 -0.97 114.94 119.95 2kkz s ASN 127 Ca 0.24 -0.50 0.05 0.00 -1.02 0.00 0.00 52.86 51.63 2kkz s ASN 127 Cb -0.12 -2.49 -0.03 0.00 0.02 0.00 0.00 41.25 38.64 2kkz s ASN 127 CO 0.15 -1.51 -0.16 -0.63 0.02 0.00 0.00 177.10 174.97 2kkz s ILE 128 N 4.68 2.94 -0.10 0.60 1.01 -0.16 -1.32 121.20 128.85 2kkz s ILE 128 Ca 0.31 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2kkz s ILE 128 Cb -0.12 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2kkz s ILE 128 CO 0.16 0.54 -0.20 -0.32 0.00 0.00 0.00 174.94 175.12 2kkz s MET 129 N -0.87 3.06 -0.54 2.79 1.75 -0.20 -3.03 119.30 122.25 2kkz s MET 129 Ca 0.12 -0.81 -0.21 0.00 -1.25 0.00 0.00 55.69 53.55 2kkz s MET 129 Cb -0.11 -2.40 0.06 0.00 2.84 0.00 0.00 34.83 35.23 2kkz s MET 129 CO 0.01 0.25 0.76 -0.51 -0.65 0.00 0.00 175.02 174.88 2kkz s LEU 130 N 0.20 4.70 -0.06 4.11 2.01 -0.50 -2.04 118.68 127.11 2kkz s LEU 130 Ca -0.12 -0.82 0.05 0.00 0.01 0.00 0.00 54.13 53.25 2kkz s LEU 130 Cb -0.16 -2.54 -0.01 0.00 0.01 0.00 0.00 46.19 43.49 2kkz s LEU 130 CO 0.07 -1.07 -0.22 -0.54 1.01 0.00 0.00 176.35 175.59 2kkz s LYS 131 N 3.16 2.57 0.02 1.70 1.02 -0.67 -0.91 119.74 126.64 2kkz s LYS 131 Ca 0.20 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 55.30 2kkz s LYS 131 Cb -0.18 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2kkz s LYS 131 CO 0.13 0.43 0.05 0.00 -0.92 0.00 0.00 175.35 175.03 2kkz s ALA 132 N -0.26 0.00 -0.14 5.17 0.00 -1.26 -1.12 121.76 124.15 2kkz s ALA 132 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2kkz s ALA 132 Cb -0.13 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2kkz s ALA 132 CO 0.03 -0.24 -0.07 -0.80 0.00 0.00 0.00 175.76 174.68 2kkz s ASN 133 N -1.80 4.53 0.18 0.00 -0.87 -0.38 -2.62 114.94 113.99 2kkz s ASN 133 Ca -0.10 -0.18 -0.23 0.00 -1.57 0.00 0.00 52.86 50.78 2kkz s ASN 133 Cb -0.05 -1.66 0.06 0.00 -0.02 0.00 0.00 41.25 39.58 2kkz s ASN 133 CO -0.02 0.19 0.73 0.72 -2.57 0.00 0.00 177.10 176.15 2kkz s PHE 134 N 0.22 -0.34 0.40 2.20 -0.71 -0.42 -1.42 117.98 117.91 2kkz s PHE 134 Ca -0.04 0.04 -0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2kkz s PHE 134 Cb -0.14 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.26 2kkz s PHE 134 CO 0.04 -0.93 0.62 -1.54 -1.34 0.00 0.00 175.22 172.06 2kkz s SER 135 N -2.79 6.16 -0.05 1.98 1.04 -0.50 -0.54 113.70 118.99 2kkz s SER 135 Ca 0.06 0.48 0.03 0.00 0.48 0.00 0.00 55.95 57.01 2kkz s SER 135 Cb -0.03 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2kkz s SER 135 CO -0.04 -0.46 -0.14 -0.69 0.98 0.00 0.00 173.24 172.90 2kkz s VAL 136 N -2.45 1.19 -0.02 5.02 1.01 0.38 -1.02 120.40 124.50 2kkz s VAL 136 Ca 0.43 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 2kkz s VAL 136 Cb -0.10 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2kkz s VAL 136 CO 0.38 0.36 0.12 -0.51 0.00 0.00 0.00 175.10 175.45 2kkz s ILE 137 N 0.31 0.04 -1.65 2.22 1.10 -0.10 -2.74 121.20 120.39 2kkz s ILE 137 Ca -0.08 -0.37 -0.02 0.00 -0.51 0.00 0.00 60.65 59.67 2kkz s ILE 137 Cb -0.13 -0.30 0.00 0.00 0.15 0.00 0.00 42.46 42.19 2kkz s ILE 137 CO 0.02 -0.20 0.32 0.49 -2.11 0.00 0.00 174.94 173.47 2kkz n PHE 138 N 2.24 -1.50 -0.90 3.50 3.72 -1.26 -1.67 117.46 121.58 2kkz n PHE 138 Ca -0.18 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2kkz n PHE 138 Cb 0.57 -4.23 0.00 0.00 -0.94 0.00 0.00 39.48 34.88 2kkz n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kkz n ASP 139 N -2.23 0.00 -4.29 4.37 2.03 -1.26 -4.98 116.55 110.20 2kkz n ASP 139 Ca -0.17 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.84 2kkz n ASP 139 Cb 0.65 -0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.53 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkz s ARG 140 N -0.18 2.09 0.23 -0.67 1.70 -0.67 -4.72 118.95 116.73 2kkz s ARG 140 Ca 0.00 -2.32 -0.30 0.00 -0.47 0.00 0.00 55.73 52.64 2kkz s ARG 140 Cb 0.00 -0.89 -0.09 0.00 -0.57 0.00 0.00 34.95 33.40 2kkz s ARG 140 CO 0.00 -0.50 1.27 -1.17 -1.08 0.00 0.00 175.30 173.81 2kkz s LEU 141 N -3.73 4.44 -0.05 -1.89 0.20 -1.00 -0.92 118.68 115.73 2kkz s LEU 141 Ca 0.14 2.42 -0.03 0.00 0.69 0.00 0.00 54.13 57.34 2kkz s LEU 141 Cb 0.01 -3.62 -0.01 0.00 -0.43 0.00 0.00 46.19 42.14 2kkz s LEU 141 CO 0.10 -0.46 -0.07 1.21 -0.29 0.00 0.00 176.35 176.84 2kkz n GLU 142 N 2.07 0.15 -3.73 1.98 2.13 -0.19 -4.42 120.64 118.62 2kkz n GLU 142 Ca 0.04 0.30 -0.13 0.00 0.66 0.00 0.00 57.16 58.03 2kkz n GLU 142 Cb 0.43 -1.02 -0.13 0.00 0.27 0.00 0.00 31.44 30.98 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 -1.44 -0.04 0.08 6.31 2.01 -1.23 -3.57 115.64 117.75 2kkz s THR 143 Ca -0.05 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 2kkz s THR 143 Cb 0.01 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 72.10 2kkz s THR 143 CO 0.08 0.06 1.27 -0.22 -0.69 0.00 0.00 174.62 175.12 2kkz s LEU 144 N 1.25 4.37 -0.18 4.42 2.96 -1.26 -1.41 118.68 128.82 2kkz s LEU 144 Ca -0.09 2.12 -0.22 0.00 -0.22 0.00 0.00 54.13 55.72 2kkz s LEU 144 Cb -0.11 -3.58 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 2kkz s LEU 144 CO -0.08 -0.54 0.31 0.40 -1.32 0.00 0.00 176.35 175.12 2kkz h ILE 145 N 4.44 1.03 -1.81 6.68 2.04 -1.60 -3.45 117.51 124.84 2kkz h ILE 145 Ca -0.42 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.36 2kkz h ILE 145 Cb 1.21 2.26 -0.21 0.00 -0.74 0.00 0.00 36.82 39.34 2kkz h ILE 145 CO 0.83 0.35 0.33 -0.22 0.00 0.00 0.00 178.15 179.44 2kkz s LEU 146 N -8.01 -0.55 0.05 1.44 2.96 -0.96 -4.51 118.68 109.10 2kkz s LEU 146 Ca -0.24 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2kkz s LEU 146 Cb 0.03 2.24 -0.02 0.00 0.50 0.00 0.00 46.19 48.93 2kkz s LEU 146 CO 0.57 -0.42 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.83 2kkz s LEU 147 N -0.78 2.23 0.00 -0.68 0.20 -0.54 -1.24 118.68 117.86 2kkz s LEU 147 Ca -0.05 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.20 2kkz s LEU 147 Cb -0.01 -0.46 -0.00 0.00 -0.43 0.00 0.00 46.19 45.28 2kkz s LEU 147 CO 0.04 -0.06 0.08 -0.13 -0.29 0.00 0.00 176.35 175.99 2kkz s ARG 148 N -1.44 0.37 -0.34 1.98 0.52 -0.28 -1.04 118.95 118.72 2kkz s ARG 148 Ca -0.02 -0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 54.72 2kkz s ARG 148 Cb -0.09 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.55 2kkz s ARG 148 CO 0.01 -0.08 0.16 0.00 0.02 0.00 0.00 175.30 175.42 2kkz s ALA 149 N -1.16 3.22 -0.17 2.13 0.00 -0.34 -1.67 121.76 123.77 2kkz s ALA 149 Ca -0.13 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.19 2kkz s ALA 149 Cb -0.07 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 2kkz s ALA 149 CO 0.01 -1.17 0.02 -0.06 0.00 0.00 0.00 175.76 174.55 2kkz s PHE 150 N 1.54 3.15 1.08 0.00 0.40 -0.86 -1.59 117.98 121.69 2kkz s PHE 150 Ca 0.02 -0.09 -0.16 0.00 -0.60 0.00 0.00 56.93 56.10 2kkz s PHE 150 Cb -0.18 -2.02 0.23 0.00 0.51 0.00 0.00 43.02 41.56 2kkz s PHE 150 CO 0.05 0.08 1.12 0.95 0.70 0.00 0.00 175.22 178.13 2kkz s THR 151 N 0.33 1.83 -0.01 0.64 -4.23 -0.58 -1.04 115.64 112.59 2kkz s THR 151 Ca -0.00 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.83 2kkz s THR 151 Cb -0.13 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.49 2kkz s THR 151 CO 0.01 0.00 1.94 1.05 -0.54 0.00 0.00 174.62 177.08 2kkz h GLU 152 N -2.14 0.00 0.00 3.99 -0.00 -1.55 -1.37 114.58 113.51 2kkz h GLU 152 Ca -0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 58.83 2kkz h GLU 152 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.05 2kkz h GLU 152 CO 0.47 0.00 -0.20 0.93 -0.00 0.00 0.00 179.01 180.21 2kkz h GLU 153 N 0.00 0.00 0.00 1.06 4.39 -1.92 -3.47 114.58 114.64 2kkz h GLU 153 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkz h GLU 153 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2kkz h GLU 153 CO 0.00 0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 2kkz n GLY 154 N -0.94 0.78 3.71 -3.84 0.00 -0.52 -5.09 105.19 99.30 2kkz n GLY 154 Ca -0.02 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2kkz n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkz s ALA 155 N -2.00 3.51 -0.25 4.61 0.00 -1.26 -4.85 121.76 121.52 2kkz s ALA 155 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2kkz s ALA 155 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 2kkz s ALA 155 CO 0.00 0.37 1.39 0.42 0.00 0.00 0.00 175.76 177.94 2kkz s ILE 156 N -0.23 4.03 0.00 0.00 1.01 -1.26 -1.53 121.20 123.22 2kkz s ILE 156 Ca 0.08 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2kkz s ILE 156 Cb -0.12 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2kkz s ILE 156 CO 0.01 -0.36 0.44 1.33 0.00 0.00 0.00 174.94 176.36 2kkz n VAL 157 N 6.09 0.00 -3.59 2.92 0.24 -0.62 -4.77 118.33 118.59 2kkz n VAL 157 Ca 0.16 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 2kkz n VAL 157 Cb 0.46 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.10 -0.35 -0.07 7.63 0.00 -1.20 -2.99 107.32 110.23 2kkz s GLY 158 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 44.72 44.52 2kkz s GLY 158 CO 0.00 -0.09 0.75 1.85 0.00 0.00 0.00 173.10 175.60 2kkz s GLU 159 N -3.81 0.96 -0.28 2.90 2.12 -1.14 -1.20 118.70 118.26 2kkz s GLU 159 Ca 0.04 0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.58 2kkz s GLU 159 Cb -0.01 0.45 0.09 0.00 0.26 0.00 0.00 34.13 34.92 2kkz s GLU 159 CO -0.09 -0.31 0.05 0.42 -0.54 0.00 0.00 175.26 174.79 2kkz s ILE 160 N -1.28 1.16 -0.39 -3.70 1.01 -0.21 -0.61 121.20 117.17 2kkz s ILE 160 Ca -0.08 -1.36 -0.08 0.00 0.00 0.00 0.00 60.65 59.12 2kkz s ILE 160 Cb -0.00 -1.74 0.06 0.00 0.01 0.00 0.00 42.46 40.79 2kkz s ILE 160 CO 0.07 -0.47 0.22 -0.55 0.00 0.00 0.00 174.94 174.21 2kkz s SER 161 N 1.51 5.56 -0.08 3.58 0.15 -0.59 -1.47 113.70 122.36 2kkz s SER 161 Ca 0.05 -1.38 -0.32 0.00 0.70 0.00 0.00 55.95 55.00 2kkz s SER 161 Cb -0.18 -1.96 -0.10 0.00 -1.71 0.00 0.00 66.02 62.08 2kkz s SER 161 CO -0.16 -0.47 2.00 -2.65 1.20 0.00 0.00 173.24 173.16 2kkz n PRO 162 N 4.89 2.33 -2.31 5.44 -0.02 -1.26 -1.74 135.00 142.32 2kkz n PRO 162 Ca -0.10 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 2kkz n PRO 162 Cb 0.44 -2.87 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 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 5.21 4.27 0.00 2.45 1.43 -0.22 -4.91 118.68 126.91 2kkz s LEU 163 Ca 0.94 1.94 0.13 0.00 -1.03 0.00 0.00 54.13 56.12 2kkz s LEU 163 Cb -0.55 -3.55 0.63 0.00 0.03 0.00 0.00 46.19 42.75 2kkz s LEU 163 CO 0.45 -0.71 1.38 -0.81 0.23 0.00 0.00 176.35 176.88 2kkz n PRO 164 N 5.80 0.11 0.29 1.29 -0.04 -1.26 -2.65 135.00 138.55 2kkz n PRO 164 Ca 0.13 0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.95 2kkz n PRO 164 Cb 0.45 -1.50 0.90 0.00 -0.04 0.00 0.00 33.50 33.30 2kkz n PRO 164 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kkz h SER 165 N 0.00 0.00 -3.32 3.54 0.02 -1.92 -3.41 113.55 108.45 2kkz h SER 165 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2kkz h SER 165 Cb 0.17 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.39 2kkz h SER 165 CO 0.00 0.01 -0.86 -0.36 -1.14 0.00 0.00 176.83 174.49 2kkz s PHE 166 N -4.59 2.63 0.21 3.45 0.08 -1.08 -5.06 117.98 113.61 2kkz s PHE 166 Ca -0.05 -1.01 -0.17 0.00 0.12 0.00 0.00 56.93 55.83 2kkz s PHE 166 Cb 0.15 -1.75 0.22 0.00 -0.57 0.00 0.00 43.02 41.06 2kkz s PHE 166 CO 0.55 -0.40 1.58 -1.35 -0.10 0.00 0.00 175.22 175.50 2kkz h PRO 167 N 6.79 -0.07 0.00 0.24 0.11 -1.86 -3.46 132.00 133.75 2kkz h PRO 167 Ca -0.22 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.90 2kkz h PRO 167 Cb 1.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kkz h PRO 167 CO 0.50 -0.05 0.16 0.41 -0.21 0.00 0.00 178.00 178.81 2kkz n GLY 168 N -1.47 1.39 3.28 -0.55 0.00 -1.26 -5.04 105.19 101.54 2kkz n GLY 168 Ca 0.08 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 -5.47 0.30 0.33 1.61 -3.43 -1.26 -4.84 115.29 102.53 2kkz s HIS 169 Ca 0.08 -0.69 0.06 0.00 -0.80 0.00 0.00 55.06 53.71 2kkz s HIS 169 Cb -0.02 -0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.05 2kkz s HIS 169 CO 0.05 -0.64 0.47 0.99 -2.00 0.00 0.00 174.74 173.60 2kkz s THR 170 N -3.92 4.24 0.39 -5.38 2.01 -1.26 -4.79 115.64 106.92 2kkz s THR 170 Ca 0.12 -0.96 0.17 0.00 0.31 0.00 0.00 61.69 61.33 2kkz s THR 170 Cb 0.04 -3.48 0.38 0.00 0.01 0.00 0.00 72.50 69.45 2kkz s THR 170 CO -0.05 -0.19 1.79 -0.29 -0.69 0.00 0.00 174.62 175.19 2kkz h ILE 171 N 0.90 0.57 -0.94 1.82 2.10 -1.77 -2.17 117.51 118.02 2kkz h ILE 171 Ca -0.47 -0.15 -0.00 0.00 1.08 0.00 0.00 64.86 65.33 2kkz h ILE 171 Cb 1.25 0.10 -0.05 0.00 -1.09 0.00 0.00 36.82 37.04 2kkz h ILE 171 CO 0.54 0.08 0.58 -0.33 -1.08 0.00 0.00 178.15 177.94 2kkz h GLU 172 N 0.43 1.26 -0.40 2.19 5.08 -1.93 -1.24 114.58 119.97 2kkz h GLU 172 Ca 0.57 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.74 2kkz h GLU 172 Cb 1.38 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2kkz h GLU 172 CO -0.28 0.86 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.04 2kkz h ASP 173 N 1.28 0.70 -0.65 1.42 3.32 -1.79 -2.44 116.42 118.27 2kkz h ASP 173 Ca 0.34 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2kkz h ASP 173 Cb -0.09 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2kkz h ASP 173 CO -0.07 0.85 0.10 0.58 -1.72 0.00 0.00 179.24 178.98 2kkz h VAL 174 N 0.65 1.26 -0.48 -1.35 2.07 -1.31 -1.53 116.25 115.56 2kkz h VAL 174 Ca 0.11 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.61 2kkz h VAL 174 Cb 0.57 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2kkz h VAL 174 CO 0.04 0.39 0.29 0.11 0.02 0.00 0.00 177.57 178.41 2kkz h LYS 175 N 1.02 0.56 -0.50 1.57 1.57 -0.80 -0.43 116.57 119.56 2kkz h LYS 175 Ca 0.20 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2kkz h LYS 175 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2kkz h LYS 175 CO 0.01 0.37 0.15 -0.91 -0.57 0.00 0.00 179.45 178.50 2kkz h ASN 176 N 0.57 0.74 -0.06 0.86 2.35 -1.40 -2.09 115.58 116.55 2kkz h ASN 176 Ca 0.19 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2kkz h ASN 176 Cb 0.02 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2kkz h ASN 176 CO -0.09 0.75 -0.04 0.00 -1.65 0.00 0.00 177.43 176.41 2kkz h ALA 177 N 1.01 0.02 -0.81 -0.83 0.00 -0.70 -1.61 119.26 116.35 2kkz h ALA 177 Ca 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2kkz h ALA 177 Cb 0.29 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2kkz h ALA 177 CO -0.00 -0.51 0.35 0.82 0.00 0.00 0.00 179.25 179.91 2kkz h ILE 178 N -0.03 1.26 -0.39 0.00 2.04 -1.10 -2.56 117.51 116.73 2kkz h ILE 178 Ca 0.04 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.16 2kkz h ILE 178 Cb 0.09 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2kkz h ILE 178 CO -0.09 0.32 0.26 1.23 0.00 0.00 0.00 178.15 179.88 2kkz h GLY 179 N 1.16 0.44 0.65 5.37 0.00 -0.86 -0.51 103.07 109.32 2kkz h GLY 179 Ca 0.27 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2kkz h GLY 179 CO -0.03 0.13 -0.27 -2.08 0.00 0.00 0.00 176.54 174.29 2kkz h VAL 180 N 0.38 1.43 -0.33 4.60 2.07 -0.91 -1.63 116.25 121.86 2kkz h VAL 180 Ca 0.16 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 2kkz h VAL 180 Cb 0.17 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2kkz h VAL 180 CO -0.04 0.48 0.17 0.25 0.02 0.00 0.00 177.57 178.45 2kkz h LEU 181 N -0.21 0.41 0.04 2.57 5.85 -1.12 -0.83 115.31 122.02 2kkz h LEU 181 Ca -0.02 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2kkz h LEU 181 Cb 0.91 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2kkz h LEU 181 CO 0.06 0.39 -0.02 0.40 -0.34 0.00 0.00 178.44 178.93 2kkz h ILE 182 N 0.40 1.02 -0.45 4.05 2.04 -1.21 -2.72 117.51 120.63 2kkz h ILE 182 Ca 0.11 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.89 2kkz h ILE 182 Cb 0.07 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 2kkz h ILE 182 CO -0.02 0.04 0.08 1.23 0.00 0.00 0.00 178.15 179.48 2kkz h GLY 183 N -0.12 0.53 1.02 5.37 0.00 -1.05 0.14 103.07 108.96 2kkz h GLY 183 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2kkz h GLY 183 CO 0.01 -0.06 0.49 -1.33 0.00 0.00 0.00 176.54 175.65 2kkz h GLY 184 N 0.21 1.25 1.10 4.60 0.00 -1.16 -1.58 103.07 107.49 2kkz h GLY 184 Ca 0.22 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 2kkz h GLY 184 CO -0.30 0.52 0.25 1.41 0.00 0.00 0.00 176.54 178.42 2kkz h LEU 185 N 1.18 1.06 -0.85 3.11 3.38 -1.03 -1.40 115.31 120.76 2kkz h LEU 185 Ca 0.30 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2kkz h LEU 185 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2kkz h LEU 185 CO -0.05 0.97 -0.27 -0.33 0.09 0.00 0.00 178.44 178.84 2kkz h GLU 186 N 1.10 0.54 0.00 1.13 5.08 -0.53 0.13 114.58 122.03 2kkz h GLU 186 Ca 0.24 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2kkz h GLU 186 Cb 0.28 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2kkz h GLU 186 CO -0.01 0.76 -0.56 0.00 -1.00 0.00 0.00 179.01 178.20 2kkz h ARG 187 N 0.47 0.00 -0.00 2.33 2.47 -1.09 -1.83 114.38 116.73 2kkz h ARG 187 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2kkz h ARG 187 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2kkz h ARG 187 CO 0.06 0.56 -0.04 0.09 0.56 0.00 0.00 179.97 181.20 2kkz n ASN 188 N -3.51 0.08 -2.84 7.04 4.13 -0.55 -4.98 115.26 114.63 2kkz n ASN 188 Ca 0.00 -0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 2kkz n ASN 188 Cb 0.65 -0.30 0.02 0.00 -1.54 0.00 0.00 39.78 38.61 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 -1.32 -6.57 -4.38 6.41 2.03 -0.20 -3.84 116.55 108.67 2kkz n ASP 189 Ca 0.12 -0.21 -0.30 0.00 0.52 0.00 0.00 54.79 54.92 2kkz n ASP 189 Cb 0.28 -4.55 -0.14 0.00 -0.72 0.00 0.00 41.12 35.99 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 -2.97 3.37 -0.51 1.67 0.01 0.28 -0.63 114.94 116.16 2kkz s ASN 190 Ca 0.11 -0.59 -0.28 0.00 -0.71 0.00 0.00 52.86 51.39 2kkz s ASN 190 Cb -0.01 -0.36 0.02 0.00 0.41 0.00 0.00 41.25 41.31 2kkz s ASN 190 CO 0.62 0.24 1.34 -0.89 -1.51 0.00 0.00 177.10 176.90 2kkz s THR 191 N -0.90 3.92 -0.15 1.60 2.01 -0.14 -4.47 115.64 117.51 2kkz s THR 191 Ca 0.13 0.87 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 2kkz s THR 191 Cb -0.10 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 2kkz s THR 191 CO 0.04 -1.04 0.10 0.68 -0.69 0.00 0.00 174.62 173.70 2kkz s VAL 192 N 5.47 5.14 -0.06 3.82 -7.23 -1.26 -0.99 120.40 125.30 2kkz s VAL 192 Ca 0.53 0.08 -0.04 0.00 -1.81 0.00 0.00 61.98 60.75 2kkz s VAL 192 Cb -0.11 -3.28 0.03 0.00 0.56 0.00 0.00 36.38 33.58 2kkz s VAL 192 CO 0.29 0.53 0.15 -0.60 -0.31 0.00 0.00 175.10 175.16 2kkz s ARG 193 N -0.30 0.13 0.26 4.82 3.52 -1.17 -5.03 118.95 121.18 2kkz s ARG 193 Ca 0.10 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 2kkz s ARG 193 Cb -0.12 -0.08 -0.07 0.00 -1.56 0.00 0.00 34.95 33.13 2kkz s ARG 193 CO 0.01 -0.11 0.57 0.08 -0.81 0.00 0.00 175.30 175.04 2kkz s VAL 194 N 0.76 4.94 0.36 7.11 1.01 -1.26 -1.41 120.40 131.90 2kkz s VAL 194 Ca -0.06 0.38 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 2kkz s VAL 194 Cb -0.07 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 2kkz s VAL 194 CO -0.04 -0.17 1.47 -0.24 0.00 0.00 0.00 175.10 176.13 2kkz n SER 195 N -0.42 3.64 0.28 3.32 2.88 -0.09 -4.85 113.62 118.38 2kkz n SER 195 Ca 0.00 1.21 0.13 0.00 -1.33 0.00 0.00 58.87 58.89 2kkz n SER 195 Cb 0.53 -1.59 0.81 0.00 -0.75 0.00 0.00 64.21 63.20 2kkz n SER 195 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kkz h LYS 196 N 3.20 0.00 0.01 -1.46 1.57 -1.96 0.67 116.57 118.60 2kkz h LYS 196 Ca -0.49 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.14 2kkz h LYS 196 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.57 2kkz h LYS 196 CO 0.66 0.06 -0.59 1.79 -0.57 0.00 0.00 179.45 180.81 2kkz h THR 197 N 0.00 1.45 -0.43 -0.16 1.35 -1.98 -0.95 112.91 112.19 2kkz h THR 197 Ca -0.00 -2.12 0.04 0.00 -0.55 0.00 0.00 66.41 63.78 2kkz h THR 197 Cb 0.17 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 2kkz h THR 197 CO 0.01 0.61 0.29 -0.07 -0.25 0.00 0.00 175.52 176.11 2kkz h LEU 198 N -0.17 0.37 0.06 3.87 3.38 -1.68 0.25 115.31 121.39 2kkz h LEU 198 Ca -0.08 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 2kkz h LEU 198 Cb 1.32 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 42.01 2kkz h LEU 198 CO 0.12 0.25 -1.02 1.56 0.09 0.00 0.00 178.44 179.44 2kkz h GLN 199 N 0.43 0.59 -0.57 1.13 4.20 -0.90 0.19 115.11 120.19 2kkz h GLN 199 Ca 0.18 -0.71 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 2kkz h GLN 199 Cb 0.17 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2kkz h GLN 199 CO -0.04 1.30 0.25 -0.09 -0.67 0.00 0.00 178.83 179.58 2kkz h ARG 200 N 0.20 0.83 0.00 1.46 9.65 -0.78 -3.22 114.38 122.51 2kkz h ARG 200 Ca -0.14 -0.13 -0.45 0.00 -1.10 0.00 0.00 59.98 58.16 2kkz h ARG 200 Cb 1.70 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 30.07 2kkz h ARG 200 CO 0.20 0.69 -2.50 1.19 2.80 0.00 0.00 179.97 182.35 2kkz n PHE 201 N -4.53 0.00 -0.10 2.20 3.72 0.04 -4.79 117.46 114.01 2kkz n PHE 201 Ca 0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 2kkz n PHE 201 Cb 0.14 -0.96 -0.05 0.00 -0.94 0.00 0.00 39.48 37.67 2kkz n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kkz n ALA 202 N -4.11 0.84 0.39 4.37 0.00 -0.26 -2.37 120.51 119.37 2kkz n ALA 202 Ca -0.52 -0.77 0.10 0.00 0.00 0.00 0.00 53.44 52.25 2kkz n ALA 202 Cb 0.88 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.76 2kkz n ALA 202 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kkz n TRP 203 N -4.45 0.52 -1.61 0.00 -0.00 0.51 -4.62 117.44 107.78 2kkz n TRP 203 Ca -0.22 0.21 -0.46 0.00 -0.00 0.00 0.00 57.50 57.04 2kkz n TRP 203 Cb 0.55 -0.84 -0.04 0.00 -0.00 0.00 0.00 31.31 30.97 2kkz n TRP 203 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2kkz n GLY 204 N -0.16 1.26 3.70 5.87 0.00 -1.22 -4.90 105.19 109.74 2kkz n GLY 204 Ca 0.02 0.84 -0.43 0.00 0.00 0.00 0.00 46.02 46.45 2kkz n GLY 204 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkz n SER 205 N 8.99 2.81 0.25 1.61 7.64 -1.26 -4.91 113.62 128.75 2kkz n SER 205 Ca 0.27 1.19 0.10 0.00 1.01 0.00 0.00 58.87 61.44 2kkz n SER 205 Cb 0.36 -1.48 0.63 0.00 -1.01 0.00 0.00 64.21 62.71 2kkz n SER 205 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kkz h SER 206 N 2.96 0.00 -1.04 6.43 0.02 -1.91 -3.40 113.55 116.61 2kkz h SER 206 Ca -0.46 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.19 2kkz h SER 206 Cb 1.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2kkz h SER 206 CO 0.66 0.16 0.83 0.21 -1.14 0.00 0.00 176.83 177.55 2kkz s ASN 207 N -6.45 4.82 -0.35 3.07 3.04 -1.26 -4.86 114.94 112.95 2kkz s ASN 207 Ca -0.03 -0.08 -0.00 0.00 0.04 0.00 0.00 52.86 52.79 2kkz s ASN 207 Cb 0.14 -2.54 0.14 0.00 -1.54 0.00 0.00 41.25 37.44 2kkz s ASN 207 CO 0.63 -2.92 0.21 -0.70 -3.04 0.00 0.00 177.10 171.27 2kkz s GLU 208 N 7.57 0.53 -1.33 0.43 2.12 -1.26 -5.08 118.70 121.69 2kkz s GLU 208 Ca 0.77 -1.30 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 2kkz s GLU 208 Cb -0.11 -1.29 0.07 0.00 0.26 0.00 0.00 34.13 33.07 2kkz s GLU 208 CO 0.09 -1.21 1.82 0.09 -0.54 0.00 0.00 175.26 175.52 2kkz n ASN 209 N 4.08 4.74 -3.92 -1.70 4.13 -1.26 -4.45 115.26 116.88 2kkz n ASN 209 Ca 0.12 -2.91 -0.26 0.00 1.68 0.00 0.00 54.58 53.20 2kkz n ASN 209 Cb 0.37 -1.71 -0.00 0.00 -1.54 0.00 0.00 39.78 36.90 2kkz n ASN 209 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kkz n GLY 210 N 4.97 -0.30 3.63 7.41 0.00 -1.26 -4.86 105.19 114.79 2kkz n GLY 210 Ca 0.48 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 2kkz n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kkz s ARG 211 N -6.48 3.86 0.70 1.61 1.81 -1.26 -5.01 118.95 114.18 2kkz s ARG 211 Ca 0.17 1.75 -0.11 0.00 -1.72 0.00 0.00 55.73 55.82 2kkz s ARG 211 Cb -0.09 -4.02 0.01 0.00 -0.45 0.00 0.00 34.95 30.40 2kkz s ARG 211 CO 0.87 -1.22 1.06 -1.25 -0.68 0.00 0.00 175.30 174.08 2kkz s PRO 212 N 4.57 2.88 0.17 3.54 0.04 -1.26 -4.99 135.00 139.95 2kkz s PRO 212 Ca 0.72 0.87 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 2kkz s PRO 212 Cb -0.26 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 2kkz s PRO 212 CO 0.29 -1.12 1.67 -1.25 0.04 0.00 0.00 177.00 176.63 2kkz s PRO 213 N -5.09 4.17 -0.88 0.56 0.04 -1.26 -4.88 135.00 127.66 2kkz s PRO 213 Ca 0.58 2.49 -0.25 0.00 0.04 0.00 0.00 61.00 63.86 2kkz s PRO 213 Cb -0.14 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 2kkz s PRO 213 CO 0.55 -0.71 2.00 -0.51 0.04 0.00 0.00 177.00 178.37 2kkz s LEU 214 N 1.47 3.13 0.44 -3.56 1.43 -1.26 -4.94 118.68 115.39 2kkz s LEU 214 Ca 0.74 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 2kkz s LEU 214 Cb -0.46 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.10 2kkz s LEU 214 CO 0.32 -2.88 0.93 0.42 0.23 0.00 0.00 176.35 175.38 2kkz s THR 215 N 10.64 4.46 0.10 5.49 -4.23 -1.26 -5.09 115.64 125.74 2kkz s THR 215 Ca 0.73 1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 62.59 2kkz s THR 215 Cb -0.08 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 2kkz s THR 215 CO 0.01 -0.39 0.03 -1.48 -0.54 0.00 0.00 174.62 172.25 2kkz s LEU 216 N -3.36 2.02 0.00 4.79 0.05 -1.26 -5.28 118.68 115.63 2kkz s LEU 216 Ca 0.60 -1.10 0.14 0.00 0.05 0.00 0.00 54.13 53.82 2kkz s LEU 216 Cb -0.09 0.30 0.11 0.00 -2.05 0.00 0.00 46.19 44.46 2kkz s LEU 216 CO 0.18 -0.68 0.93 -0.62 -0.55 0.00 0.00 176.35 175.60