#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 4.14 -0.25 2.12 0.04 -1.26 -4.98 135.00 134.81 2kkz s PRO 85 Ca 0.00 2.56 -0.23 0.00 0.04 0.00 0.00 61.00 63.36 2kkz s PRO 85 Cb 0.00 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 2kkz s PRO 85 CO 0.00 -0.67 0.77 0.00 0.04 0.00 0.00 177.00 177.15 2kkz s ALA 86 N 0.56 3.64 -0.08 8.56 0.00 -1.26 -4.93 121.76 128.25 2kkz s ALA 86 Ca 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 2kkz s ALA 86 Cb -0.48 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2kkz s ALA 86 CO 0.40 -0.90 -0.02 -1.54 0.00 0.00 0.00 175.76 173.70 2kkz s SER 87 N 1.38 5.04 0.01 0.00 1.04 -1.26 -1.26 113.70 118.65 2kkz s SER 87 Ca 0.32 0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.61 2kkz s SER 87 Cb -0.15 -1.37 0.05 0.00 0.10 0.00 0.00 66.02 64.65 2kkz s SER 87 CO 0.08 0.37 0.51 -0.60 0.98 0.00 0.00 173.24 174.58 2kkz s ARG 88 N -0.89 0.95 -0.28 4.02 3.52 -0.79 -5.00 118.95 120.49 2kkz s ARG 88 Ca 0.13 -0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2kkz s ARG 88 Cb -0.11 0.44 0.05 0.00 -1.56 0.00 0.00 34.95 33.76 2kkz s ARG 88 CO 0.02 -0.32 -0.03 0.71 -0.81 0.00 0.00 175.30 174.88 2kkz s TYR 89 N -1.87 3.22 -0.01 5.12 1.51 -1.26 0.12 117.35 124.18 2kkz s TYR 89 Ca -0.09 -1.85 -0.28 0.00 -1.01 0.00 0.00 57.07 53.84 2kkz s TYR 89 Cb -0.01 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2kkz s TYR 89 CO 0.03 -0.80 0.90 0.42 -1.11 0.00 0.00 175.55 174.99 2kkz s ILE 90 N 1.25 4.89 -0.72 2.71 -1.09 0.06 -4.96 121.20 123.34 2kkz s ILE 90 Ca -0.05 1.89 0.03 0.00 -2.23 0.00 0.00 60.65 60.29 2kkz s ILE 90 Cb -0.19 -4.24 0.18 0.00 -1.58 0.00 0.00 42.46 36.62 2kkz s ILE 90 CO -0.02 0.20 0.53 0.42 -1.23 0.00 0.00 174.94 174.84 2kkz s THR 91 N 0.86 3.23 -0.75 2.92 -4.23 -1.26 -1.81 115.64 114.61 2kkz s THR 91 Ca 0.48 -4.02 0.25 0.00 -1.18 0.00 0.00 61.69 57.22 2kkz s THR 91 Cb -0.20 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.79 2kkz s THR 91 CO 0.25 -0.99 1.77 -0.67 -0.54 0.00 0.00 174.62 174.44 2kkz n ASP 92 N 2.26 0.56 -4.48 3.99 2.03 -1.14 -4.52 116.55 115.25 2kkz n ASP 92 Ca 0.18 0.58 -0.31 0.00 0.52 0.00 0.00 54.79 55.75 2kkz n ASP 92 Cb 0.35 -0.72 -0.12 0.00 -0.72 0.00 0.00 41.12 39.91 2kkz n ASP 92 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2kkz s MET 93 N -3.12 2.24 0.56 -0.67 -1.94 -1.26 -4.53 119.30 110.58 2kkz s MET 93 Ca 0.10 -0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 53.01 2kkz s MET 93 Cb 0.13 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.65 2kkz s MET 93 CO 0.51 0.57 1.08 0.95 -0.01 0.00 0.00 175.02 178.12 2kkz s THR 94 N -0.90 3.51 0.56 2.05 -4.23 -1.26 -4.85 115.64 110.53 2kkz s THR 94 Ca 0.14 0.83 0.25 0.00 -1.18 0.00 0.00 61.69 61.74 2kkz s THR 94 Cb -0.11 -3.32 0.35 0.00 1.34 0.00 0.00 72.50 70.76 2kkz s THR 94 CO 0.05 -0.31 2.10 0.40 -0.54 0.00 0.00 174.62 176.32 2kkz h ILE 95 N 0.87 0.67 0.37 2.99 2.04 -1.98 -0.10 117.51 122.37 2kkz h ILE 95 Ca -0.48 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2kkz h ILE 95 Cb 1.24 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2kkz h ILE 95 CO 0.57 0.00 -0.39 -0.33 0.00 0.00 0.00 178.15 178.00 2kkz h GLU 96 N 0.00 -0.74 0.00 2.37 5.08 -1.96 -2.00 114.58 117.34 2kkz h GLU 96 Ca 0.09 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2kkz h GLU 96 Cb 0.44 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kkz h GLU 96 CO -0.00 -0.49 -0.14 1.05 -1.00 0.00 0.00 179.01 178.43 2kkz h GLU 97 N -0.77 0.00 -0.52 2.33 4.11 -1.80 -1.11 114.58 116.83 2kkz h GLU 97 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 2kkz h GLU 97 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2kkz h GLU 97 CO -0.06 0.14 0.15 1.25 0.07 0.00 0.00 179.01 180.56 2kkz h LEU 98 N 0.00 0.72 -3.17 3.06 6.46 -1.01 -3.08 115.31 118.29 2kkz h LEU 98 Ca -0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2kkz h LEU 98 Cb 0.78 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2kkz h LEU 98 CO 0.02 0.69 0.00 -1.20 -0.62 0.00 0.00 178.44 177.33 2kkz n SER 99 N -4.30 3.82 -4.76 1.25 7.64 -0.75 -5.03 113.62 111.49 2kkz n SER 99 Ca 0.04 -2.70 -0.40 0.00 1.01 0.00 0.00 58.87 56.82 2kkz n SER 99 Cb 0.20 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kkz s ARG 100 N -2.26 4.67 0.20 1.43 3.52 -0.47 -5.01 118.95 121.01 2kkz s ARG 100 Ca 0.39 1.77 -0.30 0.00 -0.13 0.00 0.00 55.73 57.45 2kkz s ARG 100 Cb 0.29 -3.20 -0.08 0.00 -1.56 0.00 0.00 34.95 30.40 2kkz s ARG 100 CO 0.12 0.25 1.10 0.34 -0.81 0.00 0.00 175.30 176.31 2kkz s ASP 101 N -0.92 7.26 0.28 -2.12 2.15 -1.26 -5.03 116.67 117.02 2kkz s ASP 101 Ca 0.44 2.13 -0.21 0.00 0.43 0.00 0.00 52.55 55.34 2kkz s ASP 101 Cb -0.31 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 39.73 2kkz s ASP 101 CO 0.40 -0.21 0.77 -1.66 -0.17 0.00 0.00 175.17 174.30 2kkz s TRP 102 N -0.39 -0.13 0.13 -5.34 1.48 -1.26 -5.02 118.94 108.41 2kkz s TRP 102 Ca 0.49 -0.34 -0.02 0.00 -1.06 0.00 0.00 56.10 55.16 2kkz s TRP 102 Cb -0.30 0.72 -0.04 0.00 -1.16 0.00 0.00 33.47 32.69 2kkz s TRP 102 CO 0.36 -1.22 0.08 -0.59 -4.06 0.00 0.00 176.95 171.52 2kkz s PHE 103 N -3.55 0.78 -0.10 1.66 -0.71 -1.26 -5.16 117.98 109.64 2kkz s PHE 103 Ca 0.12 -1.17 0.03 0.00 -1.04 0.00 0.00 56.93 54.88 2kkz s PHE 103 Cb -0.05 -0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 41.33 2kkz s PHE 103 CO 0.07 -0.54 -0.21 -1.64 -1.34 0.00 0.00 175.22 171.56 2kkz s MET 104 N -4.03 3.06 -0.10 1.99 -1.94 -1.26 -4.93 119.30 112.09 2kkz s MET 104 Ca 0.22 -0.82 0.10 0.00 -1.71 0.00 0.00 55.69 53.48 2kkz s MET 104 Cb 0.07 -2.38 -0.14 0.00 2.01 0.00 0.00 34.83 34.39 2kkz s MET 104 CO 0.01 0.23 0.05 1.47 -0.01 0.00 0.00 175.02 176.78 2kkz n LEU 105 N 3.40 0.00 -3.40 -0.03 -0.00 -1.26 -4.61 117.00 111.10 2kkz n LEU 105 Ca -0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.56 2kkz n LEU 105 Cb 0.53 0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 44.11 2kkz n LEU 105 CO 0.28 0.25 0.02 0.23 -0.00 0.00 0.00 177.39 178.17 2kkz n MET 106 N -2.36 2.22 -2.47 1.47 2.81 -1.26 -5.01 117.12 112.52 2kkz n MET 106 Ca -0.16 -4.44 -0.37 0.00 -1.81 0.00 0.00 57.70 50.91 2kkz n MET 106 Cb 0.81 -2.09 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 2kkz n MET 106 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2kkz s PRO 107 N -2.25 4.16 -0.07 0.03 0.04 -1.26 -1.69 135.00 133.96 2kkz s PRO 107 Ca 0.39 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 2kkz s PRO 107 Cb 0.15 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 32.10 2kkz s PRO 107 CO -0.03 -0.17 -0.01 0.21 0.04 0.00 0.00 177.00 177.04 2kkz s LYS 108 N -2.37 0.70 -0.57 4.56 2.20 0.15 -4.93 119.74 119.48 2kkz s LYS 108 Ca 0.57 0.07 -0.18 0.00 -0.36 0.00 0.00 55.97 56.07 2kkz s LYS 108 Cb -0.25 -1.02 0.11 0.00 -1.51 0.00 0.00 37.83 35.16 2kkz s LYS 108 CO 0.31 -0.29 0.62 -1.14 -0.36 0.00 0.00 175.35 174.49 2kkz s GLN 109 N 1.92 3.02 0.10 4.03 2.00 -1.26 -2.32 119.66 127.14 2kkz s GLN 109 Ca 0.04 -1.47 -0.04 0.00 -2.00 0.00 0.00 55.36 51.89 2kkz s GLN 109 Cb -0.12 -4.28 -0.05 0.00 0.80 0.00 0.00 33.01 29.36 2kkz s GLN 109 CO -0.05 -1.46 0.33 0.21 -0.50 0.00 0.00 175.29 173.81 2kkz s LYS 110 N 2.26 3.58 -0.05 1.67 2.47 -1.00 -5.00 119.74 123.67 2kkz s LYS 110 Ca 0.08 -0.14 0.03 0.00 -1.56 0.00 0.00 55.97 54.38 2kkz s LYS 110 Cb -0.26 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 2kkz s LYS 110 CO 0.05 0.53 -0.14 0.08 0.16 0.00 0.00 175.35 176.03 2kkz s VAL 111 N -1.55 1.22 -0.33 4.02 1.01 -1.26 -0.74 120.40 122.76 2kkz s VAL 111 Ca 0.37 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2kkz s VAL 111 Cb -0.13 -1.07 0.12 0.00 0.00 0.00 0.00 36.38 35.30 2kkz s VAL 111 CO 0.23 0.36 0.16 -0.70 0.00 0.00 0.00 175.10 175.16 2kkz s GLU 112 N 0.27 0.54 6.91 2.72 2.56 -0.61 -4.94 118.70 126.16 2kkz s GLU 112 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 54.97 53.82 2kkz s GLU 112 Cb -0.12 -1.50 0.00 0.00 2.00 0.00 0.00 34.13 34.51 2kkz s GLU 112 CO 0.02 -1.10 0.00 0.41 -0.56 0.00 0.00 175.26 174.04 2kkz n GLY 113 N 4.56 2.18 0.56 -1.50 0.00 -1.26 -2.51 105.19 107.22 2kkz n GLY 113 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 13.16 1.39 -4.32 1.61 -0.02 -1.26 -4.85 135.00 140.71 2kkz n PRO 114 Ca 0.00 -0.34 -0.17 0.00 -2.02 0.00 0.00 63.50 60.97 2kkz n PRO 114 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.43 1.65 0.01 2.45 1.02 -1.04 -1.13 118.68 121.21 2kkz s LEU 115 Ca 0.06 -1.41 0.02 0.00 0.02 0.00 0.00 54.13 52.82 2kkz s LEU 115 Cb 0.04 0.04 -0.01 0.00 0.02 0.00 0.00 46.19 46.28 2kkz s LEU 115 CO 0.02 -0.75 -0.06 0.00 0.02 0.00 0.00 176.35 175.58 2kkz s ILE 117 N -0.57 3.64 -0.25 0.00 -1.09 0.08 -1.99 121.20 121.02 2kkz s ILE 117 Ca -0.03 -0.98 -0.05 0.00 -2.23 0.00 0.00 60.65 57.36 2kkz s ILE 117 Cb -0.05 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 2kkz s ILE 117 CO -0.00 0.24 0.01 -0.13 -1.23 0.00 0.00 174.94 173.83 2kkz s ARG 118 N -1.87 3.35 -0.16 2.79 1.81 0.11 -2.39 118.95 122.59 2kkz s ARG 118 Ca 0.20 -0.66 0.02 0.00 -1.72 0.00 0.00 55.73 53.57 2kkz s ARG 118 Cb -0.11 -3.17 0.01 0.00 -0.45 0.00 0.00 34.95 31.23 2kkz s ARG 118 CO 0.12 -0.26 -0.21 0.42 -0.68 0.00 0.00 175.30 174.69 2kkz s ILE 119 N 1.51 2.09 -0.21 1.52 -1.09 -0.98 -3.91 121.20 120.13 2kkz s ILE 119 Ca 0.05 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.50 2kkz s ILE 119 Cb -0.15 -1.86 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 2kkz s ILE 119 CO -0.00 0.54 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.54 2kkz s ASP 120 N 1.08 3.95 0.00 3.58 -1.08 -1.26 -0.67 116.67 122.27 2kkz s ASP 120 Ca -0.00 -0.57 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 2kkz s ASP 120 Cb -0.14 -1.64 1.28 0.00 -1.46 0.00 0.00 42.92 40.95 2kkz s ASP 120 CO -0.08 -0.04 1.94 0.00 0.52 0.00 0.00 175.17 177.52 2kkz n GLN 121 N 4.72 0.08 0.11 4.34 6.02 -0.68 -3.18 117.38 128.79 2kkz n GLN 121 Ca -0.19 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.63 2kkz n GLN 121 Cb 0.50 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.12 2kkz n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkz h ALA 122 N 3.08 0.06 -1.36 -1.58 0.00 -1.95 -3.42 119.26 114.10 2kkz h ALA 122 Ca 0.00 -0.87 -0.54 0.00 0.00 0.00 0.00 54.91 53.50 2kkz h ALA 122 Cb 0.46 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2kkz h ALA 122 CO 0.00 0.90 1.07 0.42 0.00 0.00 0.00 179.25 181.64 2kkz s ILE 123 N -2.70 3.74 0.12 0.00 1.09 -1.19 -4.97 121.20 117.29 2kkz s ILE 123 Ca -0.05 0.35 0.04 0.00 -1.10 0.00 0.00 60.65 59.90 2kkz s ILE 123 Cb 0.07 -4.92 -0.04 0.00 -1.06 0.00 0.00 42.46 36.51 2kkz s ILE 123 CO 0.90 -1.86 -0.11 -0.04 -0.10 0.00 0.00 174.94 173.73 2kkz s MET 124 N 5.69 0.96 0.00 2.79 -1.94 -1.26 -4.86 119.30 120.68 2kkz s MET 124 Ca 0.35 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 2kkz s MET 124 Cb -0.08 -0.65 0.00 0.00 2.01 0.00 0.00 34.83 36.11 2kkz s MET 124 CO 0.14 0.10 0.00 -3.47 -0.01 0.00 0.00 175.02 171.78 2kkz n ASP 125 N 0.30 -0.91 -4.84 3.03 2.03 -0.88 -4.97 116.55 110.31 2kkz n ASP 125 Ca -0.14 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.84 2kkz n ASP 125 Cb 0.58 -1.15 -0.06 0.00 -0.72 0.00 0.00 41.12 39.78 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 -0.49 4.05 -0.53 -0.67 -0.14 -1.26 -4.72 119.74 115.99 2kkz s LYS 126 Ca 0.00 0.70 -0.21 0.00 -1.36 0.00 0.00 55.97 55.10 2kkz s LYS 126 Cb 0.00 -2.55 0.05 0.00 -1.68 0.00 0.00 37.83 33.66 2kkz s LYS 126 CO 0.00 0.22 0.75 -0.80 -0.76 0.00 0.00 175.35 174.76 2kkz s ASN 127 N -2.12 6.26 0.06 2.83 0.01 -1.26 -1.04 114.94 119.67 2kkz s ASN 127 Ca 0.51 -0.71 0.07 0.00 -0.71 0.00 0.00 52.86 52.02 2kkz s ASN 127 Cb -0.12 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2kkz s ASN 127 CO 0.18 -1.03 -0.16 -0.63 -1.51 0.00 0.00 177.10 173.95 2kkz s ILE 128 N 3.15 2.93 -0.07 0.60 1.01 -0.34 -0.85 121.20 127.64 2kkz s ILE 128 Ca 0.21 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2kkz s ILE 128 Cb -0.17 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.05 2kkz s ILE 128 CO 0.14 0.28 -0.11 -0.32 0.00 0.00 0.00 174.94 174.93 2kkz s MET 129 N -1.63 1.62 0.32 2.79 -2.45 -0.15 -1.76 119.30 118.03 2kkz s MET 129 Ca 0.16 -0.37 -0.23 0.00 -1.25 0.00 0.00 55.69 54.00 2kkz s MET 129 Cb -0.11 -1.39 -0.10 0.00 1.25 0.00 0.00 34.83 34.49 2kkz s MET 129 CO 0.07 -0.02 0.89 -0.51 1.05 0.00 0.00 175.02 176.50 2kkz s LEU 130 N 0.82 4.26 -0.05 4.11 1.43 -0.59 -1.74 118.68 126.92 2kkz s LEU 130 Ca -0.12 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 2kkz s LEU 130 Cb -0.15 -4.02 0.03 0.00 0.03 0.00 0.00 46.19 42.07 2kkz s LEU 130 CO 0.02 -0.10 0.11 -0.54 0.23 0.00 0.00 176.35 176.06 2kkz s LYS 131 N -2.27 0.08 -0.01 1.70 1.02 -0.50 -3.18 119.74 116.59 2kkz s LYS 131 Ca 0.51 0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.73 2kkz s LYS 131 Cb -0.16 -0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2kkz s LYS 131 CO 0.21 -0.11 0.04 0.00 -0.92 0.00 0.00 175.35 174.58 2kkz s ALA 132 N 0.71 -0.10 -0.16 5.17 0.00 -1.26 -1.52 121.76 124.60 2kkz s ALA 132 Ca -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2kkz s ALA 132 Cb -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2kkz s ALA 132 CO -0.03 -0.07 0.10 -0.80 0.00 0.00 0.00 175.76 174.96 2kkz s ASN 133 N -0.40 5.97 0.15 0.00 -0.87 -0.03 -2.87 114.94 116.89 2kkz s ASN 133 Ca -0.05 0.24 -0.24 0.00 -1.57 0.00 0.00 52.86 51.25 2kkz s ASN 133 Cb -0.03 -1.98 0.07 0.00 -0.02 0.00 0.00 41.25 39.29 2kkz s ASN 133 CO -0.00 0.26 0.66 0.72 -2.57 0.00 0.00 177.10 176.17 2kkz s PHE 134 N -0.13 -0.46 0.52 2.20 -0.71 -0.75 -1.46 117.98 117.21 2kkz s PHE 134 Ca 0.09 0.22 -0.06 0.00 -1.04 0.00 0.00 56.93 56.14 2kkz s PHE 134 Cb -0.12 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 2kkz s PHE 134 CO 0.01 -0.86 0.84 -1.54 -1.34 0.00 0.00 175.22 172.32 2kkz s SER 135 N -2.74 6.08 -0.00 1.98 1.04 -0.37 -0.76 113.70 118.92 2kkz s SER 135 Ca 0.03 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2kkz s SER 135 Cb -0.02 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2kkz s SER 135 CO -0.09 -0.74 -0.01 -0.69 0.98 0.00 0.00 173.24 172.69 2kkz s VAL 136 N -2.85 0.07 -0.04 5.02 1.01 0.12 -1.13 120.40 122.60 2kkz s VAL 136 Ca 0.50 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.47 2kkz s VAL 136 Cb -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2kkz s VAL 136 CO 0.46 0.03 -0.10 -0.51 0.00 0.00 0.00 175.10 174.97 2kkz s ILE 137 N 0.04 0.92 0.00 2.22 1.10 -0.62 -1.88 121.20 122.98 2kkz s ILE 137 Ca -0.00 -0.39 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 2kkz s ILE 137 Cb -0.01 -0.83 0.00 0.00 0.15 0.00 0.00 42.46 41.76 2kkz s ILE 137 CO -0.00 0.29 0.00 0.49 -2.11 0.00 0.00 174.94 173.61 2kkz n PHE 138 N 3.57 0.00 -2.01 3.50 3.72 -0.39 -1.62 117.46 124.24 2kkz n PHE 138 Ca -0.21 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.17 2kkz n PHE 138 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 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 2.34 -0.31 -4.37 4.37 2.03 -1.26 -4.78 116.55 114.58 2kkz n ASP 139 Ca 0.00 -1.38 -0.19 0.00 0.52 0.00 0.00 54.79 53.74 2kkz n ASP 139 Cb 0.00 0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.00 1.40 0.04 -0.67 1.70 -0.64 -4.62 118.95 116.16 2kkz s ARG 140 Ca 0.01 -1.68 -0.30 0.00 -0.47 0.00 0.00 55.73 53.28 2kkz s ARG 140 Cb 0.01 -1.00 -0.07 0.00 -0.57 0.00 0.00 34.95 33.32 2kkz s ARG 140 CO -0.00 0.06 1.52 -1.17 -1.08 0.00 0.00 175.30 174.63 2kkz s LEU 141 N -3.36 4.34 -0.11 -1.89 0.20 -0.74 -1.59 118.68 115.55 2kkz s LEU 141 Ca 0.26 2.31 -0.02 0.00 0.69 0.00 0.00 54.13 57.37 2kkz s LEU 141 Cb 0.03 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.21 2kkz s LEU 141 CO 0.09 -0.80 -0.00 -0.08 -0.29 0.00 0.00 176.35 175.27 2kkz h GLU 142 N 8.00 0.00 -2.85 1.98 4.22 -1.42 -3.36 114.58 121.14 2kkz h GLU 142 Ca -0.40 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 58.90 2kkz h GLU 142 Cb 1.19 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.18 2kkz h GLU 142 CO 0.91 0.03 -0.33 0.99 -2.18 0.00 0.00 179.01 178.44 2kkz s THR 143 N -1.66 -0.01 -0.17 0.32 2.01 -1.24 -3.85 115.64 111.04 2kkz s THR 143 Ca -0.03 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 2kkz s THR 143 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 2kkz s THR 143 CO 0.05 0.02 1.13 -0.22 -0.69 0.00 0.00 174.62 174.91 2kkz s LEU 144 N 0.57 4.17 -0.10 4.42 2.96 -1.26 -1.24 118.68 128.20 2kkz s LEU 144 Ca -0.03 1.57 -0.23 0.00 -0.22 0.00 0.00 54.13 55.21 2kkz s LEU 144 Cb -0.05 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.90 2kkz s LEU 144 CO -0.03 -0.66 0.76 0.40 -1.32 0.00 0.00 176.35 175.50 2kkz h ILE 145 N 5.36 1.33 -1.73 6.68 5.03 -1.60 -3.44 117.51 129.14 2kkz h ILE 145 Ca -0.25 -1.77 0.03 0.00 -0.12 0.00 0.00 64.86 62.75 2kkz h ILE 145 Cb 1.10 2.40 -0.21 0.00 -3.03 0.00 0.00 36.82 37.08 2kkz h ILE 145 CO 0.95 0.41 0.42 -0.22 -0.68 0.00 0.00 178.15 179.03 2kkz s LEU 146 N -8.56 -0.47 0.03 1.44 2.96 -0.71 -4.60 118.68 108.77 2kkz s LEU 146 Ca -0.15 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2kkz s LEU 146 Cb -0.01 2.10 -0.02 0.00 0.50 0.00 0.00 46.19 48.76 2kkz s LEU 146 CO 0.56 -0.44 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.82 2kkz s LEU 147 N -1.16 2.16 0.01 -0.68 0.20 -0.35 -0.85 118.68 118.01 2kkz s LEU 147 Ca -0.05 -0.41 -0.02 0.00 0.69 0.00 0.00 54.13 54.34 2kkz s LEU 147 Cb -0.00 -0.40 -0.01 0.00 -0.43 0.00 0.00 46.19 45.35 2kkz s LEU 147 CO 0.04 -0.03 0.02 -0.13 -0.29 0.00 0.00 176.35 175.96 2kkz s ARG 148 N -1.06 0.31 -0.38 1.98 0.52 -0.58 -1.27 118.95 118.46 2kkz s ARG 148 Ca -0.02 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 2kkz s ARG 148 Cb -0.07 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.54 2kkz s ARG 148 CO 0.01 -0.06 0.23 0.00 0.02 0.00 0.00 175.30 175.50 2kkz s ALA 149 N -1.19 3.34 -0.19 2.13 0.00 -0.48 -1.40 121.76 123.96 2kkz s ALA 149 Ca -0.13 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.05 2kkz s ALA 149 Cb -0.08 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2kkz s ALA 149 CO -0.00 -1.39 0.06 -0.06 0.00 0.00 0.00 175.76 174.37 2kkz s PHE 150 N 1.59 3.20 0.71 0.00 0.40 -0.71 -1.29 117.98 121.88 2kkz s PHE 150 Ca 0.03 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 2kkz s PHE 150 Cb -0.19 -2.10 0.18 0.00 0.51 0.00 0.00 43.02 41.41 2kkz s PHE 150 CO 0.08 0.04 0.66 0.25 0.70 0.00 0.00 175.22 176.95 2kkz n THR 151 N 3.82 0.00 0.24 0.64 -2.24 -0.63 -0.98 114.28 115.13 2kkz n THR 151 Ca -0.16 -0.32 0.09 0.00 -2.27 0.00 0.00 64.05 61.39 2kkz n THR 151 Cb 0.52 -1.20 0.61 0.00 -2.10 0.00 0.00 70.33 68.16 2kkz n THR 151 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kkz h GLU 152 N 0.00 0.00 -0.00 -0.78 -0.00 -1.36 -0.37 114.58 112.07 2kkz h GLU 152 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.11 2kkz h GLU 152 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.49 2kkz h GLU 152 CO 0.16 0.17 -0.07 0.39 -0.00 0.00 0.00 179.01 179.66 2kkz n GLU 153 N -3.92 0.72 -1.77 1.06 1.02 -1.26 -4.94 120.64 111.55 2kkz n GLU 153 Ca -0.02 -0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 56.91 2kkz n GLU 153 Cb 0.26 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.24 0.36 3.72 0.62 0.00 -0.15 -5.04 105.19 105.94 2kkz n GLY 154 Ca 0.16 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.12 3.50 -0.57 4.61 0.00 -1.26 -4.67 121.76 121.24 2kkz s ALA 155 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 2kkz s ALA 155 Cb 0.00 -2.61 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 2kkz s ALA 155 CO 0.00 -0.02 1.66 0.42 0.00 0.00 0.00 175.76 177.81 2kkz s ILE 156 N 0.69 3.54 -0.79 0.00 1.01 -1.26 -1.61 121.20 122.78 2kkz s ILE 156 Ca 0.24 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.37 2kkz s ILE 156 Cb -0.15 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2kkz s ILE 156 CO 0.09 -1.02 0.64 1.33 0.00 0.00 0.00 174.94 175.98 2kkz n VAL 157 N 7.05 0.00 -3.81 2.92 0.24 -0.41 -4.70 118.33 119.62 2kkz n VAL 157 Ca 0.17 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.91 2kkz n VAL 157 Cb 0.50 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.83 -0.03 -0.15 7.63 0.00 -1.22 -4.26 107.32 108.47 2kkz s GLY 158 Ca 0.07 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 2kkz s GLY 158 CO 0.13 -0.22 0.92 1.85 0.00 0.00 0.00 173.10 175.79 2kkz s GLU 159 N -3.91 0.70 -0.13 2.90 2.12 -1.25 -1.38 118.70 117.74 2kkz s GLU 159 Ca 0.12 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 2kkz s GLU 159 Cb -0.03 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.72 2kkz s GLU 159 CO 0.02 -0.21 -0.06 0.42 -0.54 0.00 0.00 175.26 174.90 2kkz s ILE 160 N -0.99 0.98 -0.02 -3.70 1.01 -0.40 -0.71 121.20 117.37 2kkz s ILE 160 Ca -0.03 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2kkz s ILE 160 Cb -0.01 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2kkz s ILE 160 CO 0.03 0.24 -0.15 -0.55 0.00 0.00 0.00 174.94 174.51 2kkz s SER 161 N 1.71 1.84 0.37 3.58 0.15 -0.84 -1.21 113.70 119.30 2kkz s SER 161 Ca 0.03 -0.29 -0.28 0.00 0.70 0.00 0.00 55.95 56.11 2kkz s SER 161 Cb -0.14 -0.34 -0.11 0.00 -1.71 0.00 0.00 66.02 63.73 2kkz s SER 161 CO -0.08 0.16 1.45 -2.84 1.20 0.00 0.00 173.24 173.14 2kkz s PRO 162 N -0.17 4.16 0.34 5.44 0.02 -1.26 -1.03 135.00 142.50 2kkz s PRO 162 Ca 0.02 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.25 2kkz s PRO 162 Cb -0.08 -2.99 -0.11 0.00 0.02 0.00 0.00 34.50 31.34 2kkz s PRO 162 CO 0.00 -0.47 1.52 -0.51 -0.33 0.00 0.00 177.00 177.22 2kkz s LEU 163 N -2.02 4.33 0.54 -5.54 1.43 -0.28 -4.83 118.68 112.31 2kkz s LEU 163 Ca 0.52 3.00 0.32 0.00 -1.03 0.00 0.00 54.13 56.94 2kkz s LEU 163 Cb -0.45 -3.65 1.49 0.00 0.03 0.00 0.00 46.19 43.60 2kkz s LEU 163 CO 0.61 -0.88 2.05 1.55 0.23 0.00 0.00 176.35 179.91 2kkz h PRO 164 N 3.74 0.00 0.00 1.29 0.13 -1.93 -1.45 132.00 133.79 2kkz h PRO 164 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kkz h PRO 164 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kkz h PRO 164 CO 0.70 0.08 0.00 0.43 -0.23 0.00 0.00 178.00 178.98 2kkz n SER 165 N -3.31 0.74 -3.94 1.44 7.64 -1.26 -4.57 113.62 110.35 2kkz n SER 165 Ca -0.01 0.59 -0.30 0.00 1.01 0.00 0.00 58.87 60.16 2kkz n SER 165 Cb 0.27 -0.78 -0.14 0.00 -1.01 0.00 0.00 64.21 62.55 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 -3.13 3.18 -0.25 1.43 0.40 -0.54 -4.98 117.98 114.08 2kkz s PHE 166 Ca 0.10 -3.04 0.02 0.00 -0.60 0.00 0.00 56.93 53.40 2kkz s PHE 166 Cb 0.12 -2.74 0.33 0.00 0.51 0.00 0.00 43.02 41.24 2kkz s PHE 166 CO 0.56 -0.80 1.57 -0.35 0.70 0.00 0.00 175.22 176.90 2kkz n PRO 167 N 3.45 1.69 -3.39 0.24 -0.04 -1.26 -4.42 135.00 131.27 2kkz n PRO 167 Ca 0.05 -1.60 0.02 0.00 -0.04 0.00 0.00 63.50 61.92 2kkz n PRO 167 Cb 0.35 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.17 -0.25 0.03 0.55 0.00 -1.26 -5.17 107.32 101.05 2kkz s GLY 168 Ca 0.31 2.97 -0.11 0.00 0.00 0.00 0.00 44.72 47.89 2kkz s GLY 168 CO 0.05 3.27 0.23 -2.38 0.00 0.00 0.00 173.10 174.26 2kkz s HIS 169 N 2.51 -0.01 0.46 1.90 -3.43 -1.26 -4.97 115.29 110.50 2kkz s HIS 169 Ca -0.02 -0.16 0.08 0.00 -0.80 0.00 0.00 55.06 54.16 2kkz s HIS 169 Cb -0.07 0.01 0.03 0.00 -1.43 0.00 0.00 32.58 31.12 2kkz s HIS 169 CO -0.17 -0.43 0.63 0.99 -2.00 0.00 0.00 174.74 173.76 2kkz s THR 170 N -2.36 2.80 0.30 -5.38 2.01 -1.26 -4.58 115.64 107.17 2kkz s THR 170 Ca -0.07 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.02 2kkz s THR 170 Cb -0.02 -2.83 0.29 0.00 0.01 0.00 0.00 72.50 69.95 2kkz s THR 170 CO -0.03 0.00 1.71 -0.29 -0.69 0.00 0.00 174.62 175.33 2kkz h ILE 171 N 0.49 0.52 -0.73 1.82 2.10 -1.72 -2.22 117.51 117.78 2kkz h ILE 171 Ca -0.38 -0.16 0.09 0.00 1.08 0.00 0.00 64.86 65.48 2kkz h ILE 171 Cb 1.28 -0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.96 2kkz h ILE 171 CO 0.45 0.09 0.48 1.05 -1.08 0.00 0.00 178.15 179.13 2kkz h GLU 172 N 0.48 0.65 -0.15 2.19 4.11 -1.92 -2.07 114.58 117.87 2kkz h GLU 172 Ca 0.58 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.77 2kkz h GLU 172 Cb 1.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kkz h GLU 172 CO -0.49 0.43 -0.72 -0.44 0.07 0.00 0.00 179.01 177.86 2kkz h ASP 173 N 0.67 0.77 0.11 3.06 3.32 -1.79 -3.18 116.42 119.37 2kkz h ASP 173 Ca 0.33 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2kkz h ASP 173 Cb 0.40 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2kkz h ASP 173 CO -0.11 1.26 -0.05 0.58 -1.72 0.00 0.00 179.24 179.20 2kkz h VAL 174 N 0.46 1.04 0.00 -1.35 2.07 -1.40 -2.38 116.25 114.69 2kkz h VAL 174 Ca -0.03 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2kkz h VAL 174 Cb 1.32 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2kkz h VAL 174 CO 0.14 0.14 -0.07 0.07 0.02 0.00 0.00 177.57 177.86 2kkz h LYS 175 N -0.40 0.00 0.03 1.57 2.10 -1.49 0.54 116.57 118.92 2kkz h LYS 175 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kkz h LYS 175 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2kkz h LYS 175 CO 0.02 0.07 -0.02 -0.91 -2.00 0.00 0.00 179.45 176.62 2kkz h ASN 176 N 0.00 -0.04 -0.98 7.07 -0.26 -1.52 -3.17 115.58 116.67 2kkz h ASN 176 Ca -0.00 -0.50 0.05 0.00 -0.56 0.00 0.00 56.30 55.28 2kkz h ASN 176 Cb 0.22 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.43 2kkz h ASN 176 CO 0.01 0.49 0.64 0.00 -1.06 0.00 0.00 177.43 177.51 2kkz h ALA 177 N 0.35 1.32 -0.36 -0.83 0.00 -0.54 -1.97 119.26 117.24 2kkz h ALA 177 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kkz h ALA 177 Cb 0.53 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kkz h ALA 177 CO 0.01 0.49 0.23 0.82 0.00 0.00 0.00 179.25 180.80 2kkz h ILE 178 N 1.21 1.11 0.00 0.00 2.04 -1.09 -2.36 117.51 118.42 2kkz h ILE 178 Ca 0.40 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 2kkz h ILE 178 Cb 0.06 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2kkz h ILE 178 CO -0.14 0.11 -0.17 1.23 0.00 0.00 0.00 178.15 179.17 2kkz h GLY 179 N 0.48 0.00 0.87 5.37 0.00 -1.35 -1.00 103.07 107.43 2kkz h GLY 179 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.30 2kkz h GLY 179 CO -0.03 0.00 -0.59 -2.08 0.00 0.00 0.00 176.54 173.84 2kkz h VAL 180 N 0.00 1.38 -0.31 4.60 2.07 -1.09 -1.18 116.25 121.73 2kkz h VAL 180 Ca -0.00 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 65.56 2kkz h VAL 180 Cb 0.43 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2kkz h VAL 180 CO 0.02 0.59 0.19 0.25 0.02 0.00 0.00 177.57 178.63 2kkz h LEU 181 N 0.05 0.30 -0.19 2.57 5.85 -0.91 -0.05 115.31 122.93 2kkz h LEU 181 Ca -0.06 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kkz h LEU 181 Cb 1.27 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2kkz h LEU 181 CO 0.12 0.22 0.09 0.40 -0.34 0.00 0.00 178.44 178.93 2kkz h ILE 182 N 0.38 0.99 -0.05 4.05 2.04 -1.26 -0.57 117.51 123.09 2kkz h ILE 182 Ca 0.12 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2kkz h ILE 182 Cb -0.01 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2kkz h ILE 182 CO -0.05 0.04 -0.08 1.23 0.00 0.00 0.00 178.15 179.28 2kkz h GLY 183 N 0.20 0.07 2.00 5.37 0.00 -0.98 0.20 103.07 109.92 2kkz h GLY 183 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 2kkz h GLY 183 CO -0.06 0.03 -0.58 -1.33 0.00 0.00 0.00 176.54 174.60 2kkz h GLY 184 N 0.38 0.00 1.79 4.60 0.00 -0.47 -2.73 103.07 106.64 2kkz h GLY 184 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.11 2kkz h GLY 184 CO 0.01 0.00 -1.14 1.41 0.00 0.00 0.00 176.54 176.82 2kkz h LEU 185 N 0.00 0.13 -0.23 3.11 3.38 0.11 -3.06 115.31 118.74 2kkz h LEU 185 Ca -0.01 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 2kkz h LEU 185 Cb 1.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2kkz h LEU 185 CO 0.08 1.11 -0.60 -0.33 0.09 0.00 0.00 178.44 178.79 2kkz h GLU 186 N 0.02 0.81 -0.09 1.13 5.08 -0.65 -0.46 114.58 120.42 2kkz h GLU 186 Ca -0.07 -0.56 -0.12 0.00 -1.00 0.00 0.00 59.36 57.60 2kkz h GLU 186 Cb 1.85 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 2kkz h GLU 186 CO 0.15 1.19 -0.48 0.07 -1.00 0.00 0.00 179.01 178.93 2kkz h ARG 187 N 0.56 0.23 0.00 2.33 0.11 -1.62 -1.43 114.38 114.56 2kkz h ARG 187 Ca -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2kkz h ARG 187 Cb 1.21 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2kkz h ARG 187 CO 0.13 0.67 0.00 0.09 0.10 0.00 0.00 179.97 180.96 2kkz n ASN 188 N -3.97 0.00 -2.93 0.08 4.13 -1.15 -4.94 115.26 106.48 2kkz n ASN 188 Ca -0.02 -0.58 -0.14 0.00 1.68 0.00 0.00 54.58 55.52 2kkz n ASN 188 Cb 0.53 -0.09 0.07 0.00 -1.54 0.00 0.00 39.78 38.75 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 -1.09 -2.25 -4.60 6.41 2.03 -0.54 -3.58 116.55 112.93 2kkz n ASP 189 Ca 0.17 -0.49 -0.34 0.00 0.52 0.00 0.00 54.79 54.65 2kkz n ASP 189 Cb 0.12 -4.17 -0.11 0.00 -0.72 0.00 0.00 41.12 36.24 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 -4.03 4.73 -0.68 1.67 0.01 -0.28 -2.08 114.94 114.29 2kkz s ASN 190 Ca 0.03 -0.01 -0.25 0.00 -0.71 0.00 0.00 52.86 51.93 2kkz s ASN 190 Cb -0.01 -1.21 0.05 0.00 0.41 0.00 0.00 41.25 40.49 2kkz s ASN 190 CO 0.58 0.36 1.09 -0.89 -1.51 0.00 0.00 177.10 176.73 2kkz s THR 191 N -0.84 4.08 0.16 1.60 2.01 -0.21 -4.54 115.64 117.90 2kkz s THR 191 Ca 0.13 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.28 2kkz s THR 191 Cb -0.11 -4.76 -0.04 0.00 0.01 0.00 0.00 72.50 67.60 2kkz s THR 191 CO 0.02 -1.57 -0.17 0.68 -0.69 0.00 0.00 174.62 172.88 2kkz s VAL 192 N 4.74 2.79 0.01 3.82 -7.23 -1.26 -1.20 120.40 122.08 2kkz s VAL 192 Ca 0.29 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2kkz s VAL 192 Cb -0.13 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 2kkz s VAL 192 CO 0.14 -0.02 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.23 2kkz s ARG 193 N -2.48 0.54 0.47 4.82 3.52 -0.73 -4.98 118.95 120.12 2kkz s ARG 193 Ca 0.21 -0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 55.26 2kkz s ARG 193 Cb -0.09 -0.48 -0.07 0.00 -1.56 0.00 0.00 34.95 32.75 2kkz s ARG 193 CO 0.11 0.12 0.90 0.08 -0.81 0.00 0.00 175.30 175.71 2kkz s VAL 194 N -0.51 4.63 0.16 7.11 1.01 -1.26 -1.54 120.40 129.99 2kkz s VAL 194 Ca -0.01 1.00 -0.34 0.00 0.00 0.00 0.00 61.98 62.63 2kkz s VAL 194 Cb -0.05 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 2kkz s VAL 194 CO 0.00 -0.61 1.32 -1.20 0.00 0.00 0.00 175.10 174.61 2kkz n SER 195 N -1.43 1.95 -0.08 3.32 7.64 -1.19 -4.65 113.62 119.17 2kkz n SER 195 Ca 0.05 1.13 0.22 0.00 1.01 0.00 0.00 58.87 61.28 2kkz n SER 195 Cb 0.54 -1.28 0.67 0.00 -1.01 0.00 0.00 64.21 63.13 2kkz n SER 195 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2kkz h LYS 196 N 4.27 0.07 0.07 1.43 2.10 -1.95 0.11 116.57 122.66 2kkz h LYS 196 Ca -0.45 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.10 2kkz h LYS 196 Cb 1.32 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 2kkz h LYS 196 CO 0.76 0.04 -0.42 1.79 -2.00 0.00 0.00 179.45 179.63 2kkz h THR 197 N 0.07 1.63 -0.18 0.07 1.35 -1.94 -3.35 112.91 110.56 2kkz h THR 197 Ca 0.33 -2.39 -0.10 0.00 -0.55 0.00 0.00 66.41 63.69 2kkz h THR 197 Cb 1.21 3.23 -0.01 0.00 -1.73 0.00 0.00 68.15 70.84 2kkz h THR 197 CO -0.03 0.65 -0.34 -0.07 -0.25 0.00 0.00 175.52 175.49 2kkz h LEU 198 N -0.63 0.38 -1.95 3.87 3.38 -1.71 -2.40 115.31 116.24 2kkz h LEU 198 Ca -0.07 -0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.01 2kkz h LEU 198 Cb 1.31 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2kkz h LEU 198 CO 0.08 0.70 0.64 1.56 0.09 0.00 0.00 178.44 181.51 2kkz h GLN 199 N 0.32 0.03 0.00 1.13 4.20 -1.14 0.11 115.11 119.77 2kkz h GLN 199 Ca 0.04 -0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.35 2kkz h GLN 199 Cb 0.75 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 2kkz h GLN 199 CO 0.06 0.02 -2.35 2.89 -0.67 0.00 0.00 178.83 178.78 2kkz n ARG 200 N -4.29 0.53 -0.10 1.46 1.85 -1.20 -1.18 116.66 113.74 2kkz n ARG 200 Ca 0.19 0.21 -0.12 0.00 -1.00 0.00 0.00 57.85 57.13 2kkz n ARG 200 Cb 0.94 -1.39 -0.04 0.00 -1.05 0.00 0.00 32.46 30.93 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 -0.69 0.65 0.00 2.89 0.04 -0.90 -2.60 116.94 116.32 2kkz h PHE 201 Ca -0.60 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 59.94 2kkz h PHE 201 Cb 1.59 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 2kkz h PHE 201 CO -0.06 0.79 -0.99 0.00 -0.60 0.00 0.00 178.31 177.45 2kkz n ALA 202 N -2.42 2.39 0.16 2.45 0.00 -0.45 -1.78 120.51 120.86 2kkz n ALA 202 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 2kkz n ALA 202 Cb 0.34 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.31 -0.42 0.00 0.00 2.91 -1.06 -3.26 115.95 113.81 2kkz h TRP 203 Ca -0.13 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.81 2kkz h TRP 203 Cb 0.82 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 2kkz h TRP 203 CO -0.07 -0.08 -0.32 0.78 -1.03 0.00 0.00 178.44 177.71 2kkz h GLY 204 N -0.89 0.00 -6.84 2.65 0.00 -1.23 -3.42 103.07 93.34 2kkz h GLY 204 Ca -0.05 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.71 2kkz h GLY 204 CO 0.08 0.00 1.23 -0.45 0.00 0.00 0.00 176.54 177.40 2kkz s SER 205 N -6.44 6.00 -0.53 0.19 0.15 -0.98 -4.95 113.70 107.15 2kkz s SER 205 Ca -0.01 1.24 -0.27 0.00 0.70 0.00 0.00 55.95 57.61 2kkz s SER 205 Cb 0.12 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2kkz s SER 205 CO 0.67 -1.64 1.83 -0.44 1.20 0.00 0.00 173.24 174.86 2kkz s SER 206 N 5.61 5.48 -0.09 5.45 0.01 -1.26 -4.89 113.70 124.01 2kkz s SER 206 Ca 0.76 0.62 0.02 0.00 1.31 0.00 0.00 55.95 58.67 2kkz s SER 206 Cb -0.21 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.50 2kkz s SER 206 CO 0.33 -2.16 -0.15 0.20 0.41 0.00 0.00 173.24 171.87 2kkz s ASN 207 N 7.40 2.21 -0.01 2.44 0.01 -1.26 -5.14 114.94 120.59 2kkz s ASN 207 Ca 0.70 -0.38 0.07 0.00 -0.71 0.00 0.00 52.86 52.54 2kkz s ASN 207 Cb -0.15 -1.00 -0.02 0.00 0.41 0.00 0.00 41.25 40.48 2kkz s ASN 207 CO 0.25 0.05 -0.23 -0.70 -1.51 0.00 0.00 177.10 174.95 2kkz s GLU 208 N 0.73 2.13 0.00 -0.60 2.56 -1.26 -4.94 118.70 117.32 2kkz s GLU 208 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 54.97 53.92 2kkz s GLU 208 Cb -0.16 -2.11 0.00 0.00 2.00 0.00 0.00 34.13 33.86 2kkz s GLU 208 CO 0.03 0.56 0.00 0.27 -0.56 0.00 0.00 175.26 175.56 2kkz n ASN 209 N 2.20 0.00 0.00 -1.70 0.23 -1.26 -5.10 115.26 109.63 2kkz n ASN 209 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 2kkz n ASN 209 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 2kkz n ASN 209 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kkz n GLY 210 N 0.00 0.59 3.62 4.83 0.00 -1.26 -5.07 105.19 107.89 2kkz n GLY 210 Ca 0.00 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 3.45 0.63 1.61 0.52 -1.26 -4.99 118.95 118.90 2kkz s ARG 211 Ca 0.00 2.13 -0.18 0.00 -0.52 0.00 0.00 55.73 57.16 2kkz s ARG 211 Cb 0.00 -4.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.16 2kkz s ARG 211 CO 0.00 -1.74 1.23 -2.14 0.02 0.00 0.00 175.30 172.67 2kkz s PRO 212 N 5.71 2.76 -0.09 3.54 0.02 -1.26 -4.95 135.00 140.73 2kkz s PRO 212 Ca 0.94 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 63.54 2kkz s PRO 212 Cb -0.34 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 2kkz s PRO 212 CO 0.36 -1.39 2.08 -2.14 -0.33 0.00 0.00 177.00 175.58 2kkz s PRO 213 N -3.43 3.65 0.17 5.54 0.02 -1.26 -4.93 135.00 134.75 2kkz s PRO 213 Ca 0.78 2.30 -0.31 0.00 0.02 0.00 0.00 61.00 63.79 2kkz s PRO 213 Cb -0.32 -4.26 -0.10 0.00 0.02 0.00 0.00 34.50 29.85 2kkz s PRO 213 CO 0.36 -1.52 1.50 -0.51 -0.33 0.00 0.00 177.00 176.51 2kkz s LEU 214 N 6.31 4.37 1.15 -5.54 1.43 -1.26 -5.01 118.68 120.14 2kkz s LEU 214 Ca 0.94 2.56 -0.18 0.00 -1.03 0.00 0.00 54.13 56.41 2kkz s LEU 214 Cb -0.37 -3.60 0.27 0.00 0.03 0.00 0.00 46.19 42.51 2kkz s LEU 214 CO 0.38 -0.76 1.14 0.42 0.23 0.00 0.00 176.35 177.77 2kkz s THR 215 N 0.91 1.69 1.16 5.49 -4.23 -1.26 -5.06 115.64 114.34 2kkz s THR 215 Ca 0.67 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 2kkz s THR 215 Cb -0.42 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.11 2kkz s THR 215 CO 0.33 0.00 1.06 -0.76 -0.54 0.00 0.00 174.62 174.71 2kkz s LEU 216 N -6.73 0.76 0.00 4.79 1.43 -1.26 -5.31 118.68 112.35 2kkz s LEU 216 Ca 0.71 1.01 0.28 0.00 -1.03 0.00 0.00 54.13 55.11 2kkz s LEU 216 Cb -0.09 -2.89 1.14 0.00 0.03 0.00 0.00 46.19 44.38 2kkz s LEU 216 CO 0.55 -3.99 1.80 -0.62 0.23 0.00 0.00 176.35 174.33