#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 0.86 -0.31 0.03 0.02 -1.26 -4.95 135.00 129.39 2kkz s PRO 85 Ca 0.00 1.22 -0.29 0.00 0.02 0.00 0.00 61.00 61.95 2kkz s PRO 85 Cb 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.77 2kkz s PRO 85 CO 0.00 -2.63 1.63 0.00 -0.33 0.00 0.00 177.00 175.67 2kkz s ALA 86 N -2.70 3.06 0.00 -1.55 0.00 -1.26 -4.96 121.76 114.35 2kkz s ALA 86 Ca 0.66 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2kkz s ALA 86 Cb -0.21 -3.94 -0.06 0.00 0.00 0.00 0.00 23.12 18.91 2kkz s ALA 86 CO 0.59 -2.32 1.51 -1.54 0.00 0.00 0.00 175.76 174.00 2kkz s SER 87 N 4.86 6.75 -0.03 0.00 1.04 -1.26 -4.85 113.70 120.21 2kkz s SER 87 Ca 0.72 2.22 0.07 0.00 0.48 0.00 0.00 55.95 59.44 2kkz s SER 87 Cb -0.21 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 2kkz s SER 87 CO 0.32 -0.80 -0.23 -0.60 0.98 0.00 0.00 173.24 172.90 2kkz s ARG 88 N 2.79 2.19 -0.41 4.02 3.52 -0.81 -4.91 118.95 125.35 2kkz s ARG 88 Ca 0.68 -0.88 -0.17 0.00 -0.13 0.00 0.00 55.73 55.23 2kkz s ARG 88 Cb -0.34 -2.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.95 2kkz s ARG 88 CO 0.28 0.57 0.42 0.71 -0.81 0.00 0.00 175.30 176.48 2kkz s TYR 89 N -0.64 3.18 -0.29 5.12 2.02 -1.26 0.09 117.35 125.56 2kkz s TYR 89 Ca 0.10 -0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 56.23 2kkz s TYR 89 Cb -0.10 -2.84 0.01 0.00 -0.40 0.00 0.00 41.96 38.62 2kkz s TYR 89 CO -0.01 -0.65 0.93 0.42 -1.57 0.00 0.00 175.55 174.68 2kkz s ILE 90 N 2.11 4.68 -0.65 2.71 -1.09 0.04 -4.94 121.20 124.05 2kkz s ILE 90 Ca 0.12 1.56 -0.02 0.00 -2.23 0.00 0.00 60.65 60.08 2kkz s ILE 90 Cb -0.17 -4.26 0.17 0.00 -1.58 0.00 0.00 42.46 36.61 2kkz s ILE 90 CO 0.13 -0.30 0.47 0.42 -1.23 0.00 0.00 174.94 174.43 2kkz s THR 91 N 3.23 3.63 0.32 2.92 -4.23 -1.26 -1.65 115.64 118.59 2kkz s THR 91 Ca 0.39 -3.20 0.10 0.00 -1.18 0.00 0.00 61.69 57.80 2kkz s THR 91 Cb -0.14 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.39 2kkz s THR 91 CO 0.12 -0.90 1.74 0.44 -0.54 0.00 0.00 174.62 175.48 2kkz h ASP 92 N 6.74 0.11 -4.39 3.99 3.32 -1.78 -3.44 116.42 120.97 2kkz h ASP 92 Ca 0.01 -0.04 -0.67 0.00 0.02 0.00 0.00 57.03 56.35 2kkz h ASP 92 Cb 0.92 -0.03 -0.28 0.00 0.22 0.00 0.00 39.33 40.16 2kkz h ASP 92 CO 0.73 0.52 -0.87 0.00 -1.72 0.00 0.00 179.24 177.90 2kkz s MET 93 N -4.09 1.79 0.70 3.56 0.23 -1.26 -4.88 119.30 115.34 2kkz s MET 93 Ca -0.03 -0.99 -0.11 0.00 -1.03 0.00 0.00 55.69 53.52 2kkz s MET 93 Cb 0.14 -1.87 0.01 0.00 -1.53 0.00 0.00 34.83 31.58 2kkz s MET 93 CO 0.75 0.49 1.08 0.95 -2.03 0.00 0.00 175.02 176.26 2kkz s THR 94 N -0.72 3.78 0.50 3.16 -4.23 -1.26 -4.86 115.64 112.01 2kkz s THR 94 Ca 0.10 0.58 0.26 0.00 -1.18 0.00 0.00 61.69 61.45 2kkz s THR 94 Cb -0.10 -3.52 0.43 0.00 1.34 0.00 0.00 72.50 70.65 2kkz s THR 94 CO 0.01 -0.75 1.91 0.40 -0.54 0.00 0.00 174.62 175.65 2kkz h ILE 95 N -0.63 0.65 0.02 2.99 5.03 -1.99 -2.06 117.51 121.51 2kkz h ILE 95 Ca -0.45 -0.04 -0.00 0.00 -0.12 0.00 0.00 64.86 64.25 2kkz h ILE 95 Cb 1.24 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.54 2kkz h ILE 95 CO 0.62 0.02 -0.02 -0.33 -0.68 0.00 0.00 178.15 177.76 2kkz h GLU 96 N 0.12 -0.04 0.00 2.37 5.08 -1.95 -1.33 114.58 118.82 2kkz h GLU 96 Ca 0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 2kkz h GLU 96 Cb 1.34 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2kkz h GLU 96 CO -0.05 -0.03 -0.23 1.05 -1.00 0.00 0.00 179.01 178.75 2kkz h GLU 97 N -0.04 0.00 -0.14 2.33 9.09 -1.91 -0.59 114.58 123.32 2kkz h GLU 97 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2kkz h GLU 97 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 2kkz h GLU 97 CO -0.00 0.23 0.08 1.25 0.05 0.00 0.00 179.01 180.62 2kkz h LEU 98 N 0.00 0.12 -3.34 3.06 6.46 -1.33 -3.11 115.31 117.17 2kkz h LEU 98 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kkz h LEU 98 Cb 0.63 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2kkz h LEU 98 CO 0.03 0.09 0.00 -0.24 -0.62 0.00 0.00 178.44 177.70 2kkz n SER 99 N -5.01 4.53 -4.76 1.25 2.88 -0.51 -4.98 113.62 107.02 2kkz n SER 99 Ca -0.04 -2.92 -0.40 0.00 -1.33 0.00 0.00 58.87 54.18 2kkz n SER 99 Cb 0.04 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.86 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 -2.68 4.72 0.14 -1.46 3.52 -0.25 -5.03 118.95 117.92 2kkz s ARG 100 Ca 0.46 1.60 -0.12 0.00 -0.13 0.00 0.00 55.73 57.54 2kkz s ARG 100 Cb 0.36 -3.18 -0.07 0.00 -1.56 0.00 0.00 34.95 30.51 2kkz s ARG 100 CO 0.12 0.35 0.50 -0.51 -0.81 0.00 0.00 175.30 174.96 2kkz s ASP 101 N -1.11 6.74 0.39 -2.12 1.01 -1.26 -5.01 116.67 115.31 2kkz s ASP 101 Ca 0.44 0.96 -0.13 0.00 0.71 0.00 0.00 52.55 54.52 2kkz s ASP 101 Cb -0.28 -2.24 0.05 0.00 1.01 0.00 0.00 42.92 41.46 2kkz s ASP 101 CO 0.35 0.10 0.76 -1.66 0.21 0.00 0.00 175.17 174.93 2kkz s TRP 102 N -1.49 0.28 0.05 4.23 1.48 -1.26 -5.16 118.94 117.07 2kkz s TRP 102 Ca 0.38 -0.92 -0.01 0.00 -1.06 0.00 0.00 56.10 54.49 2kkz s TRP 102 Cb -0.14 0.73 -0.04 0.00 -1.16 0.00 0.00 33.47 32.86 2kkz s TRP 102 CO 0.19 -1.55 -0.03 -0.59 -4.06 0.00 0.00 176.95 170.91 2kkz s PHE 103 N -2.23 0.50 0.01 1.66 -0.12 -1.26 -5.17 117.98 111.37 2kkz s PHE 103 Ca 0.18 -0.97 0.01 0.00 -0.05 0.00 0.00 56.93 56.09 2kkz s PHE 103 Cb -0.04 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 2kkz s PHE 103 CO 0.13 -0.33 0.05 -1.64 -0.05 0.00 0.00 175.22 173.37 2kkz s MET 104 N -3.51 2.92 -0.00 1.99 -1.94 -1.26 -4.91 119.30 112.58 2kkz s MET 104 Ca 0.04 -0.56 -0.14 0.00 -1.71 0.00 0.00 55.69 53.31 2kkz s MET 104 Cb 0.05 -2.76 -0.34 0.00 2.01 0.00 0.00 34.83 33.79 2kkz s MET 104 CO -0.08 0.63 0.86 1.25 -0.01 0.00 0.00 175.02 177.67 2kkz h LEU 105 N 4.11 0.75 -7.24 -0.03 5.85 -1.97 -3.39 115.31 113.40 2kkz h LEU 105 Ca -0.49 -0.93 -0.63 0.00 0.84 0.00 0.00 57.88 56.67 2kkz h LEU 105 Cb 1.18 -0.25 -0.41 0.00 0.37 0.00 0.00 40.66 41.55 2kkz h LEU 105 CO 0.60 1.74 -0.66 -0.04 -0.34 0.00 0.00 178.44 179.75 2kkz s MET 106 N -2.59 1.85 0.16 1.25 -1.94 -1.26 -4.96 119.30 111.81 2kkz s MET 106 Ca -0.12 -2.55 -0.31 0.00 -1.71 0.00 0.00 55.69 51.00 2kkz s MET 106 Cb 0.04 -3.06 -0.09 0.00 2.01 0.00 0.00 34.83 33.74 2kkz s MET 106 CO 0.91 -1.15 1.39 -2.14 -0.01 0.00 0.00 175.02 174.02 2kkz s PRO 107 N -0.26 4.32 -0.02 2.03 0.02 -1.26 -1.27 135.00 138.56 2kkz s PRO 107 Ca 0.18 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.34 2kkz s PRO 107 Cb -0.23 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.10 2kkz s PRO 107 CO -0.02 -0.40 -0.05 0.21 -0.33 0.00 0.00 177.00 176.42 2kkz s LYS 108 N 0.55 0.54 -0.18 5.54 2.20 -0.13 -4.90 119.74 123.36 2kkz s LYS 108 Ca 0.62 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 2kkz s LYS 108 Cb -0.38 -0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 35.37 2kkz s LYS 108 CO 0.34 0.04 -0.08 -1.14 -0.36 0.00 0.00 175.35 174.15 2kkz s GLN 109 N 0.29 3.39 0.10 4.03 2.00 -1.26 -2.17 119.66 126.04 2kkz s GLN 109 Ca -0.03 -0.65 0.08 0.00 -2.00 0.00 0.00 55.36 52.76 2kkz s GLN 109 Cb -0.07 -2.85 -0.03 0.00 0.80 0.00 0.00 33.01 30.85 2kkz s GLN 109 CO -0.00 -0.02 -0.20 0.21 -0.50 0.00 0.00 175.29 174.77 2kkz s LYS 110 N 1.00 1.10 0.01 1.67 2.47 -0.92 -5.03 119.74 120.05 2kkz s LYS 110 Ca -0.01 -1.15 0.06 0.00 -1.56 0.00 0.00 55.97 53.31 2kkz s LYS 110 Cb -0.15 -1.34 -0.02 0.00 -1.46 0.00 0.00 37.83 34.86 2kkz s LYS 110 CO -0.00 0.31 -0.18 0.08 0.16 0.00 0.00 175.35 175.72 2kkz s VAL 111 N -1.18 1.40 -0.31 4.02 1.01 -1.26 -0.43 120.40 123.64 2kkz s VAL 111 Ca 0.06 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2kkz s VAL 111 Cb -0.10 -1.20 0.11 0.00 0.00 0.00 0.00 36.38 35.19 2kkz s VAL 111 CO 0.04 0.26 0.14 -0.70 0.00 0.00 0.00 175.10 174.84 2kkz s GLU 112 N -0.77 0.34 7.37 2.72 2.56 -0.51 -4.91 118.70 125.50 2kkz s GLU 112 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.26 2kkz s GLU 112 Cb -0.07 -1.32 0.00 0.00 2.00 0.00 0.00 34.13 34.74 2kkz s GLU 112 CO 0.00 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.06 2kkz n GLY 113 N 4.96 2.53 0.90 -1.50 0.00 -1.26 -2.81 105.19 108.01 2kkz n GLY 113 Ca -0.02 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.75 2kkz n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kkz n PRO 114 N 13.13 2.32 -4.11 1.61 -0.04 -1.26 -4.85 135.00 141.79 2kkz n PRO 114 Ca 0.00 -1.38 -0.27 0.00 -0.04 0.00 0.00 63.50 61.81 2kkz n PRO 114 Cb 0.00 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.15 1.42 -0.31 1.53 1.43 -1.12 -1.36 118.68 119.12 2kkz s LEU 115 Ca 0.25 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 2kkz s LEU 115 Cb 0.16 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.46 2kkz s LEU 115 CO 0.12 -0.07 0.94 0.00 0.23 0.00 0.00 176.35 177.58 2kkz s ILE 117 N 3.31 4.92 -0.29 0.00 -1.09 0.42 -1.94 121.20 126.53 2kkz s ILE 117 Ca 0.39 0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 59.34 2kkz s ILE 117 Cb -0.13 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 2kkz s ILE 117 CO 0.14 -0.23 0.43 -0.60 -1.23 0.00 0.00 174.94 173.45 2kkz s ARG 118 N 2.64 3.91 -0.06 2.79 6.06 -0.47 -2.16 118.95 131.67 2kkz s ARG 118 Ca 0.24 0.02 0.05 0.00 -2.50 0.00 0.00 55.73 53.54 2kkz s ARG 118 Cb -0.15 -3.70 -0.00 0.00 0.06 0.00 0.00 34.95 31.16 2kkz s ARG 118 CO 0.13 -0.39 -0.20 0.42 -2.50 0.00 0.00 175.30 172.76 2kkz s ILE 119 N 2.18 1.71 -0.18 4.11 -1.09 -0.92 -3.58 121.20 123.43 2kkz s ILE 119 Ca 0.17 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2kkz s ILE 119 Cb -0.16 -1.47 0.01 0.00 -1.58 0.00 0.00 42.46 39.27 2kkz s ILE 119 CO 0.11 0.48 -0.16 -0.62 -1.23 0.00 0.00 174.94 173.51 2kkz s ASP 120 N 0.04 3.42 0.00 3.58 2.15 -1.25 -0.95 116.67 123.65 2kkz s ASP 120 Ca -0.06 -0.58 0.30 0.00 0.43 0.00 0.00 52.55 52.65 2kkz s ASP 120 Cb -0.13 -1.54 1.58 0.00 -0.30 0.00 0.00 42.92 42.52 2kkz s ASP 120 CO 0.04 0.01 2.05 0.00 -0.17 0.00 0.00 175.17 177.09 2kkz n GLN 121 N 4.57 1.05 -0.08 4.34 6.02 -0.40 -4.28 117.38 128.60 2kkz n GLN 121 Ca -0.20 -0.25 -0.09 0.00 -0.01 0.00 0.00 57.00 56.45 2kkz n GLN 121 Cb 0.50 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 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 3.97 0.07 -1.63 -1.58 0.00 -1.93 -3.45 119.26 114.70 2kkz h ALA 122 Ca 0.00 -0.62 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 2kkz h ALA 122 Cb 0.19 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2kkz h ALA 122 CO 0.00 0.46 1.29 0.42 0.00 0.00 0.00 179.25 181.42 2kkz s ILE 123 N -2.18 3.46 0.20 0.00 1.09 -1.26 -4.96 121.20 117.56 2kkz s ILE 123 Ca -0.17 0.38 0.08 0.00 -1.10 0.00 0.00 60.65 59.84 2kkz s ILE 123 Cb 0.02 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 2kkz s ILE 123 CO 0.31 -0.77 -0.15 -0.04 -0.10 0.00 0.00 174.94 174.19 2kkz s MET 124 N 6.36 1.31 -1.62 2.79 -1.94 -1.26 -4.84 119.30 120.10 2kkz s MET 124 Ca 0.69 -1.56 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 2kkz s MET 124 Cb -0.15 -1.13 0.01 0.00 2.01 0.00 0.00 34.83 35.56 2kkz s MET 124 CO 0.26 0.19 0.45 -0.25 -0.01 0.00 0.00 175.02 175.66 2kkz n ASP 125 N -0.29 -6.06 -4.57 3.03 9.92 -0.97 -4.99 116.55 112.61 2kkz n ASP 125 Ca -0.09 -0.22 -0.26 0.00 -0.53 0.00 0.00 54.79 53.69 2kkz n ASP 125 Cb 0.60 -4.94 -0.09 0.00 -0.64 0.00 0.00 41.12 36.05 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kkz s LYS 126 N -5.54 2.07 -0.61 -1.24 -0.14 -1.26 -4.95 119.74 108.07 2kkz s LYS 126 Ca 0.23 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.32 2kkz s LYS 126 Cb -0.10 -2.14 0.07 0.00 -1.68 0.00 0.00 37.83 33.98 2kkz s LYS 126 CO 0.28 0.42 0.87 -0.80 -0.76 0.00 0.00 175.35 175.37 2kkz s ASN 127 N -2.95 6.21 -0.11 2.83 0.02 -1.26 -1.63 114.94 118.05 2kkz s ASN 127 Ca 0.26 -0.96 -0.06 0.00 -1.02 0.00 0.00 52.86 51.08 2kkz s ASN 127 Cb -0.08 -2.38 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 2kkz s ASN 127 CO 0.16 -1.28 0.10 -0.63 0.02 0.00 0.00 177.10 175.47 2kkz s ILE 128 N 3.63 5.20 -0.11 0.60 1.01 -0.32 0.21 121.20 131.42 2kkz s ILE 128 Ca 0.21 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.98 2kkz s ILE 128 Cb -0.18 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.05 2kkz s ILE 128 CO 0.11 0.61 -0.19 -0.32 0.00 0.00 0.00 174.94 175.16 2kkz s MET 129 N -0.96 2.57 -0.49 2.79 -2.45 -0.17 -0.82 119.30 119.78 2kkz s MET 129 Ca 0.14 -0.70 -0.16 0.00 -1.25 0.00 0.00 55.69 53.72 2kkz s MET 129 Cb -0.12 -2.07 0.08 0.00 1.25 0.00 0.00 34.83 33.97 2kkz s MET 129 CO 0.03 0.02 0.44 -0.51 1.05 0.00 0.00 175.02 176.06 2kkz s LEU 130 N 0.74 5.60 -0.11 4.11 1.43 -0.11 -1.69 118.68 128.65 2kkz s LEU 130 Ca -0.11 -1.32 0.02 0.00 -1.03 0.00 0.00 54.13 51.69 2kkz s LEU 130 Cb -0.16 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 2kkz s LEU 130 CO 0.02 -0.71 -0.19 -0.54 0.23 0.00 0.00 176.35 175.16 2kkz s LYS 131 N 1.79 3.14 0.07 1.70 1.02 -0.67 -2.36 119.74 124.43 2kkz s LYS 131 Ca 0.05 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.29 2kkz s LYS 131 Cb -0.24 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2kkz s LYS 131 CO 0.07 0.23 -0.10 0.00 -0.92 0.00 0.00 175.35 174.62 2kkz s ALA 132 N 0.27 0.96 -0.20 5.17 0.00 -1.26 -1.48 121.76 125.22 2kkz s ALA 132 Ca -0.13 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2kkz s ALA 132 Cb -0.17 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2kkz s ALA 132 CO 0.07 0.01 0.00 -0.80 0.00 0.00 0.00 175.76 175.04 2kkz s ASN 133 N -2.05 4.88 0.12 0.00 -0.87 -0.24 -2.03 114.94 114.75 2kkz s ASN 133 Ca -0.01 -0.18 -0.19 0.00 -1.57 0.00 0.00 52.86 50.92 2kkz s ASN 133 Cb -0.06 -1.83 0.05 0.00 -0.02 0.00 0.00 41.25 39.38 2kkz s ASN 133 CO 0.00 0.08 0.46 0.72 -2.57 0.00 0.00 177.10 175.80 2kkz s PHE 134 N 0.92 -0.31 0.46 2.20 -0.71 -0.66 -1.06 117.98 118.81 2kkz s PHE 134 Ca 0.01 0.08 -0.03 0.00 -1.04 0.00 0.00 56.93 55.96 2kkz s PHE 134 Cb -0.14 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2kkz s PHE 134 CO 0.02 -0.72 0.72 -1.12 -1.34 0.00 0.00 175.22 172.78 2kkz s SER 135 N -2.65 6.07 -0.02 1.98 0.01 -0.51 -0.78 113.70 117.81 2kkz s SER 135 Ca 0.01 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2kkz s SER 135 Cb 0.01 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.31 2kkz s SER 135 CO -0.11 -0.61 0.03 -0.69 0.41 0.00 0.00 173.24 172.27 2kkz s VAL 136 N -2.64 -0.04 -0.05 3.43 1.01 0.11 -1.27 120.40 120.95 2kkz s VAL 136 Ca 0.47 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 2kkz s VAL 136 Cb -0.10 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2kkz s VAL 136 CO 0.41 0.09 0.23 -0.51 0.00 0.00 0.00 175.10 175.32 2kkz s ILE 137 N 0.99 0.03 -1.78 2.22 1.10 -0.60 -1.93 121.20 121.24 2kkz s ILE 137 Ca -0.08 -0.28 0.00 0.00 -0.51 0.00 0.00 60.65 59.78 2kkz s ILE 137 Cb -0.12 -0.43 0.00 0.00 0.15 0.00 0.00 42.46 42.06 2kkz s ILE 137 CO -0.03 -0.15 0.00 0.49 -2.11 0.00 0.00 174.94 173.14 2kkz n PHE 138 N 2.20 -0.59 -2.37 3.50 3.72 -1.26 -1.44 117.46 121.22 2kkz n PHE 138 Ca -0.17 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.05 2kkz n PHE 138 Cb 0.57 -3.40 -0.01 0.00 -0.94 0.00 0.00 39.48 35.71 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 -1.50 -5.14 -4.31 4.37 8.00 -1.26 -5.03 116.55 111.68 2kkz n ASP 139 Ca -0.20 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.10 2kkz n ASP 139 Cb 0.63 -4.20 -0.10 0.00 -0.02 0.00 0.00 41.12 37.43 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkz s ARG 140 N -4.92 1.30 0.08 -1.24 1.70 -0.52 -4.77 118.95 110.58 2kkz s ARG 140 Ca 0.02 -1.65 -0.31 0.00 -0.47 0.00 0.00 55.73 53.32 2kkz s ARG 140 Cb -0.01 -0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 33.76 2kkz s ARG 140 CO 0.02 -0.11 1.33 -1.17 -1.08 0.00 0.00 175.30 174.30 2kkz s LEU 141 N -3.28 4.36 -0.03 -1.89 0.20 -1.13 -1.56 118.68 115.36 2kkz s LEU 141 Ca 0.28 2.20 -0.01 0.00 0.69 0.00 0.00 54.13 57.29 2kkz s LEU 141 Cb 0.06 -3.58 -0.00 0.00 -0.43 0.00 0.00 46.19 42.23 2kkz s LEU 141 CO 0.08 -0.60 -0.02 -0.33 -0.29 0.00 0.00 176.35 175.19 2kkz h GLU 142 N 6.93 0.00 -3.29 1.98 5.08 -1.50 -3.33 114.58 120.45 2kkz h GLU 142 Ca -0.41 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.76 2kkz h GLU 142 Cb 1.21 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.19 2kkz h GLU 142 CO 0.85 0.00 -0.52 0.99 -1.00 0.00 0.00 179.01 179.33 2kkz s THR 143 N -1.20 -0.01 -0.41 1.13 2.01 -1.26 -2.37 115.64 113.53 2kkz s THR 143 Ca -0.01 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 2kkz s THR 143 Cb 0.00 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.28 2kkz s THR 143 CO 0.02 0.01 0.94 -0.22 -0.69 0.00 0.00 174.62 174.68 2kkz s LEU 144 N 0.23 3.97 0.05 4.42 2.96 -1.26 -1.43 118.68 127.63 2kkz s LEU 144 Ca -0.01 0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 54.04 2kkz s LEU 144 Cb -0.02 -3.25 -0.17 0.00 0.50 0.00 0.00 46.19 43.24 2kkz s LEU 144 CO -0.01 -0.96 1.55 0.40 -1.32 0.00 0.00 176.35 176.01 2kkz h ILE 145 N 5.95 0.97 -1.47 6.68 5.03 -1.45 -3.44 117.51 129.78 2kkz h ILE 145 Ca -0.23 -0.34 0.11 0.00 -0.12 0.00 0.00 64.86 64.28 2kkz h ILE 145 Cb 1.08 1.18 -0.24 0.00 -3.03 0.00 0.00 36.82 35.80 2kkz h ILE 145 CO 1.01 0.08 0.61 -0.22 -0.68 0.00 0.00 178.15 178.96 2kkz s LEU 146 N -9.87 -0.31 0.12 1.44 2.96 -0.93 -4.61 118.68 107.48 2kkz s LEU 146 Ca -0.14 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.22 2kkz s LEU 146 Cb 0.04 1.72 -0.04 0.00 0.50 0.00 0.00 46.19 48.42 2kkz s LEU 146 CO 0.64 -0.27 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.96 2kkz s LEU 147 N -0.98 2.33 -0.05 -0.68 0.20 -0.91 -1.08 118.68 117.51 2kkz s LEU 147 Ca 0.00 -0.73 -0.03 0.00 0.69 0.00 0.00 54.13 54.06 2kkz s LEU 147 Cb -0.01 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.83 2kkz s LEU 147 CO -0.01 0.07 0.13 -0.60 -0.29 0.00 0.00 176.35 175.65 2kkz s ARG 148 N -2.10 0.11 -0.34 1.98 3.52 -0.55 -1.31 118.95 120.26 2kkz s ARG 148 Ca 0.10 0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.85 2kkz s ARG 148 Cb -0.09 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.24 2kkz s ARG 148 CO 0.05 -0.09 0.20 0.00 -0.81 0.00 0.00 175.30 174.65 2kkz s ALA 149 N 0.61 3.34 0.35 6.12 0.00 -0.65 -1.66 121.76 129.87 2kkz s ALA 149 Ca -0.04 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.49 2kkz s ALA 149 Cb -0.06 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2kkz s ALA 149 CO -0.03 -1.08 0.38 -0.06 0.00 0.00 0.00 175.76 174.97 2kkz s PHE 150 N 1.63 2.95 0.68 0.00 0.40 -0.68 -1.13 117.98 121.83 2kkz s PHE 150 Ca 0.04 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 2kkz s PHE 150 Cb -0.18 -1.95 0.13 0.00 0.51 0.00 0.00 43.02 41.53 2kkz s PHE 150 CO 0.08 0.04 0.93 0.25 0.70 0.00 0.00 175.22 177.22 2kkz n THR 151 N -1.52 0.00 0.27 0.64 -2.24 -0.41 -0.99 114.28 110.02 2kkz n THR 151 Ca 0.00 -1.60 0.12 0.00 -2.27 0.00 0.00 64.05 60.29 2kkz n THR 151 Cb 0.59 -0.83 0.75 0.00 -2.10 0.00 0.00 70.33 68.75 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 4.11 -0.60 -1.26 114.58 116.04 2kkz h GLU 152 Ca -0.31 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.95 2kkz h GLU 152 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2kkz h GLU 152 CO 0.35 0.06 -0.83 0.93 0.07 0.00 0.00 179.01 179.60 2kkz h GLU 153 N 0.00 0.00 0.00 1.06 5.08 -1.94 -3.48 114.58 115.30 2kkz h GLU 153 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kkz h GLU 153 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kkz h GLU 153 CO 0.01 0.83 0.00 0.41 -1.00 0.00 0.00 179.01 179.26 2kkz n GLY 154 N 0.99 1.11 3.68 -3.84 0.00 -0.48 -5.09 105.19 101.57 2kkz n GLY 154 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.49 4.61 0.00 -1.26 -4.60 121.76 121.52 2kkz s ALA 155 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 2kkz s ALA 155 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2kkz s ALA 155 CO 0.00 -0.80 1.43 0.42 0.00 0.00 0.00 175.76 176.81 2kkz s ILE 156 N 2.39 3.82 -0.36 0.00 1.01 -1.26 -1.29 121.20 125.51 2kkz s ILE 156 Ca 0.54 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.99 2kkz s ILE 156 Cb -0.23 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 37.98 2kkz s ILE 156 CO 0.20 -0.97 0.80 1.33 0.00 0.00 0.00 174.94 176.29 2kkz n VAL 157 N 6.98 0.40 -3.77 2.92 0.24 -0.28 -4.79 118.33 120.03 2kkz n VAL 157 Ca 0.15 -0.70 -0.03 0.00 -2.04 0.00 0.00 64.34 61.72 2kkz n VAL 157 Cb 0.49 0.84 -0.00 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.57 -0.17 -0.09 7.63 0.00 -1.04 -3.92 107.32 109.17 2kkz s GLY 158 Ca 0.05 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 2kkz s GLY 158 CO 0.04 0.68 0.91 1.85 0.00 0.00 0.00 173.10 176.58 2kkz s GLU 159 N -2.86 0.75 -0.30 2.90 2.12 -1.23 -1.63 118.70 118.45 2kkz s GLU 159 Ca 0.15 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.50 2kkz s GLU 159 Cb -0.01 0.35 0.09 0.00 0.26 0.00 0.00 34.13 34.82 2kkz s GLU 159 CO 0.02 -0.27 0.02 0.42 -0.54 0.00 0.00 175.26 174.91 2kkz s ILE 160 N -1.85 1.67 -0.21 -3.70 -1.09 -0.43 -1.36 121.20 114.22 2kkz s ILE 160 Ca -0.01 -1.71 -0.09 0.00 -2.23 0.00 0.00 60.65 56.61 2kkz s ILE 160 Cb -0.01 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 2kkz s ILE 160 CO -0.01 -0.44 0.10 -0.94 -1.23 0.00 0.00 174.94 172.42 2kkz s SER 161 N 1.25 5.74 0.57 3.58 1.04 -0.82 -2.14 113.70 122.93 2kkz s SER 161 Ca 0.04 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.34 2kkz s SER 161 Cb -0.19 -2.01 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 2kkz s SER 161 CO -0.12 0.11 1.17 -2.16 0.98 0.00 0.00 173.24 173.22 2kkz s PRO 162 N 0.77 3.15 0.38 4.02 0.04 -1.26 -0.87 135.00 141.23 2kkz s PRO 162 Ca 0.05 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 2kkz s PRO 162 Cb -0.13 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2kkz s PRO 162 CO 0.02 -1.04 1.03 -0.51 0.04 0.00 0.00 177.00 176.54 2kkz s LEU 163 N -3.94 4.20 0.52 -3.56 1.43 -0.46 -4.85 118.68 112.01 2kkz s LEU 163 Ca 0.75 2.01 0.22 0.00 -1.03 0.00 0.00 54.13 56.08 2kkz s LEU 163 Cb -0.27 -4.13 1.39 0.00 0.03 0.00 0.00 46.19 43.21 2kkz s LEU 163 CO 0.30 -0.38 2.12 1.55 0.23 0.00 0.00 176.35 180.16 2kkz h PRO 164 N 2.70 0.00 0.00 1.29 0.13 -1.96 -1.28 132.00 132.88 2kkz h PRO 164 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2kkz h PRO 164 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kkz h PRO 164 CO 0.63 0.08 -0.33 0.77 -0.23 0.00 0.00 178.00 178.92 2kkz h SER 165 N 0.00 0.00 -2.16 1.44 0.02 -1.97 -3.37 113.55 107.51 2kkz h SER 165 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2kkz h SER 165 Cb 0.17 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.31 2kkz h SER 165 CO 0.01 0.33 -0.88 0.49 -1.14 0.00 0.00 176.83 175.64 2kkz n PHE 166 N -3.37 1.21 1.30 3.45 3.72 -0.49 -4.90 117.46 118.39 2kkz n PHE 166 Ca 0.01 -3.79 0.14 0.00 -0.05 0.00 0.00 57.45 53.75 2kkz n PHE 166 Cb 0.54 -0.39 0.57 0.00 -0.94 0.00 0.00 39.48 39.27 2kkz n PHE 166 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kkz n PRO 167 N 1.37 0.51 -3.22 -1.08 -0.04 -1.19 -4.12 135.00 127.21 2kkz n PRO 167 Ca 0.25 -0.17 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 2kkz n PRO 167 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 2kkz n PRO 167 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kkz n GLY 168 N 1.34 4.59 2.27 0.55 0.00 -1.26 -4.91 105.19 107.76 2kkz n GLY 168 Ca 0.12 -2.47 -0.14 0.00 0.00 0.00 0.00 46.02 43.54 2kkz n GLY 168 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kkz n HIS 169 N 0.57 -3.25 -4.18 1.61 1.44 -1.26 -5.07 115.22 105.09 2kkz n HIS 169 Ca 0.28 -0.98 -0.23 0.00 -2.01 0.00 0.00 57.72 54.79 2kkz n HIS 169 Cb 0.45 -0.45 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 2kkz n HIS 169 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2kkz s THR 170 N -1.85 3.50 0.35 0.61 2.01 -1.25 -4.14 115.64 114.87 2kkz s THR 170 Ca 0.40 -1.73 0.15 0.00 0.31 0.00 0.00 61.69 60.82 2kkz s THR 170 Cb -0.02 -3.00 0.35 0.00 0.01 0.00 0.00 72.50 69.84 2kkz s THR 170 CO 0.26 -0.30 1.69 -0.29 -0.69 0.00 0.00 174.62 175.29 2kkz h ILE 171 N 1.68 0.37 -0.41 1.82 2.10 -1.59 -2.60 117.51 118.88 2kkz h ILE 171 Ca -0.45 -0.13 0.07 0.00 1.08 0.00 0.00 64.86 65.44 2kkz h ILE 171 Cb 1.25 -0.04 -0.07 0.00 -1.09 0.00 0.00 36.82 36.88 2kkz h ILE 171 CO 0.61 0.07 -0.00 -0.33 -1.08 0.00 0.00 178.15 177.42 2kkz h GLU 172 N 0.37 0.10 -0.92 2.19 4.39 -1.91 -1.76 114.58 117.04 2kkz h GLU 172 Ca 0.70 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.39 2kkz h GLU 172 Cb 1.63 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.22 2kkz h GLU 172 CO -0.52 0.07 0.54 -0.44 -1.16 0.00 0.00 179.01 177.50 2kkz h ASP 173 N 0.10 1.12 -0.57 1.42 3.32 -1.88 -2.95 116.42 116.98 2kkz h ASP 173 Ca 0.20 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 2kkz h ASP 173 Cb 0.29 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2kkz h ASP 173 CO -0.34 0.87 -0.06 0.58 -1.72 0.00 0.00 179.24 178.57 2kkz h VAL 174 N 1.27 1.27 -0.79 -1.35 2.07 -1.36 -1.39 116.25 115.98 2kkz h VAL 174 Ca 0.33 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2kkz h VAL 174 Cb -0.03 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2kkz h VAL 174 CO -0.06 0.44 0.50 0.11 0.02 0.00 0.00 177.57 178.58 2kkz h LYS 175 N 0.94 1.05 -0.12 1.57 1.57 -1.18 -1.45 116.57 118.95 2kkz h LYS 175 Ca 0.15 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2kkz h LYS 175 Cb 0.63 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2kkz h LYS 175 CO 0.04 0.72 0.05 -0.91 -0.57 0.00 0.00 179.45 178.78 2kkz h ASN 176 N 1.07 0.17 -0.21 0.86 4.21 -1.44 -2.40 115.58 117.83 2kkz h ASN 176 Ca 0.29 -0.15 0.01 0.00 1.21 0.00 0.00 56.30 57.65 2kkz h ASN 176 Cb -0.09 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 2kkz h ASN 176 CO -0.06 0.27 0.13 0.00 -1.29 0.00 0.00 177.43 176.48 2kkz h ALA 177 N 0.90 0.27 -0.61 -0.83 0.00 -0.73 0.10 119.26 118.36 2kkz h ALA 177 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kkz h ALA 177 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2kkz h ALA 177 CO -0.00 -0.27 0.18 0.82 0.00 0.00 0.00 179.25 179.98 2kkz h ILE 178 N 0.27 1.23 -0.05 0.00 2.04 -1.37 -2.12 117.51 117.51 2kkz h ILE 178 Ca 0.08 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 2kkz h ILE 178 Cb -0.01 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2kkz h ILE 178 CO -0.03 0.31 -0.30 1.23 0.00 0.00 0.00 178.15 179.36 2kkz h GLY 179 N 1.02 0.10 0.89 5.37 0.00 -0.71 -1.09 103.07 108.65 2kkz h GLY 179 Ca 0.20 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.27 2kkz h GLY 179 CO -0.01 0.07 -0.73 -2.08 0.00 0.00 0.00 176.54 173.79 2kkz h VAL 180 N 0.08 1.39 -0.11 4.60 2.07 -0.60 0.25 116.25 123.92 2kkz h VAL 180 Ca 0.01 -2.14 0.04 0.00 0.82 0.00 0.00 66.70 65.44 2kkz h VAL 180 Cb 0.57 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 2kkz h VAL 180 CO 0.04 0.63 -0.22 0.25 0.02 0.00 0.00 177.57 178.29 2kkz h LEU 181 N 0.02 -0.69 -0.77 2.57 5.85 -1.24 -0.79 115.31 120.27 2kkz h LEU 181 Ca -0.09 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2kkz h LEU 181 Cb 1.43 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 2kkz h LEU 181 CO 0.14 -0.28 0.22 0.40 -0.34 0.00 0.00 178.44 178.58 2kkz h ILE 182 N -0.29 1.26 -0.87 4.05 2.04 -1.29 -1.67 117.51 120.74 2kkz h ILE 182 Ca 0.10 -0.92 0.17 0.00 1.00 0.00 0.00 64.86 65.21 2kkz h ILE 182 Cb 0.43 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2kkz h ILE 182 CO -0.28 0.36 0.57 1.23 0.00 0.00 0.00 178.15 180.03 2kkz h GLY 183 N 1.11 0.95 1.08 5.37 0.00 -0.17 0.65 103.07 112.05 2kkz h GLY 183 Ca 0.24 -0.22 -0.34 0.00 0.00 0.00 0.00 47.33 47.00 2kkz h GLY 183 CO -0.01 0.03 -1.64 -1.33 0.00 0.00 0.00 176.54 173.60 2kkz h GLY 184 N 0.50 0.49 1.85 4.60 0.00 -0.94 -3.35 103.07 106.22 2kkz h GLY 184 Ca 0.44 -1.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.44 2kkz h GLY 184 CO -0.18 1.10 -0.26 1.41 0.00 0.00 0.00 176.54 178.62 2kkz h LEU 185 N 0.12 0.18 -0.81 3.11 3.38 -0.41 -1.65 115.31 119.22 2kkz h LEU 185 Ca -0.30 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 2kkz h LEU 185 Cb 2.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 2kkz h LEU 185 CO 0.21 0.44 -0.44 -0.33 0.09 0.00 0.00 178.44 178.42 2kkz h GLU 186 N 0.17 0.34 -0.08 1.13 4.39 -1.08 -2.75 114.58 116.70 2kkz h GLU 186 Ca 0.03 -0.18 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 2kkz h GLU 186 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2kkz h GLU 186 CO 0.04 0.72 -0.56 0.00 -1.16 0.00 0.00 179.01 178.05 2kkz h ARG 187 N 0.28 0.25 0.00 2.33 2.47 -1.52 -2.14 114.38 116.05 2kkz h ARG 187 Ca 0.02 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2kkz h ARG 187 Cb 0.89 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 2kkz h ARG 187 CO 0.07 0.75 0.00 -0.91 0.56 0.00 0.00 179.97 180.44 2kkz h ASN 188 N 0.19 0.00 -4.98 7.04 4.21 -1.03 -3.47 115.58 117.54 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 1.05 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 38.32 2kkz h ASN 188 CO 0.09 0.00 -0.30 0.47 -1.29 0.00 0.00 177.43 176.40 2kkz n ASP 189 N -2.61 -6.39 -3.64 5.81 8.00 -0.81 -4.22 116.55 112.69 2kkz n ASP 189 Ca -0.01 -0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.05 2kkz n ASP 189 Cb 0.12 -4.49 -0.08 0.00 -0.02 0.00 0.00 41.12 36.64 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 -3.03 1.06 -0.42 -2.24 2.20 -1.22 -2.28 114.94 109.01 2kkz s ASN 190 Ca 0.16 -1.59 -0.06 0.00 -0.94 0.00 0.00 52.86 50.43 2kkz s ASN 190 Cb -0.02 0.51 0.10 0.00 -2.00 0.00 0.00 41.25 39.84 2kkz s ASN 190 CO 0.62 -1.01 0.24 -0.89 -2.94 0.00 0.00 177.10 173.12 2kkz s THR 191 N -3.66 3.75 0.13 0.54 2.01 -0.65 -4.75 115.64 113.01 2kkz s THR 191 Ca 0.39 -1.77 0.02 0.00 0.31 0.00 0.00 61.69 60.63 2kkz s THR 191 Cb 0.04 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2kkz s THR 191 CO 0.21 -0.63 0.27 0.68 -0.69 0.00 0.00 174.62 174.47 2kkz s VAL 192 N 1.28 5.33 0.01 3.82 -7.23 -1.26 -1.17 120.40 121.19 2kkz s VAL 192 Ca 0.05 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2kkz s VAL 192 Cb -0.24 -3.72 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 2kkz s VAL 192 CO -0.01 -0.05 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.07 2kkz s ARG 193 N -3.09 0.42 0.03 4.82 3.52 0.00 -4.93 118.95 119.72 2kkz s ARG 193 Ca 0.35 -0.39 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 2kkz s ARG 193 Cb -0.11 -0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 2kkz s ARG 193 CO 0.28 0.07 -0.07 0.08 -0.81 0.00 0.00 175.30 174.86 2kkz s VAL 194 N -0.61 3.63 0.38 7.11 1.01 -1.26 -0.93 120.40 129.73 2kkz s VAL 194 Ca -0.03 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 2kkz s VAL 194 Cb -0.05 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 2kkz s VAL 194 CO -0.00 0.31 1.38 -1.20 0.00 0.00 0.00 175.10 175.59 2kkz n SER 195 N 1.29 3.21 0.16 3.32 7.64 -1.00 -4.85 113.62 123.39 2kkz n SER 195 Ca -0.14 1.19 0.13 0.00 1.01 0.00 0.00 58.87 61.06 2kkz n SER 195 Cb 0.52 -1.55 0.66 0.00 -1.01 0.00 0.00 64.21 62.83 2kkz n SER 195 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kkz h LYS 196 N 2.61 0.00 0.16 1.43 1.79 -1.99 -0.31 116.57 120.27 2kkz h LYS 196 Ca -0.49 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 2kkz h LYS 196 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kkz h LYS 196 CO 0.63 0.00 -0.08 1.79 -1.08 0.00 0.00 179.45 180.71 2kkz h THR 197 N 0.00 0.97 -0.93 -0.16 1.35 -1.99 -2.18 112.91 109.98 2kkz h THR 197 Ca 0.10 -0.80 0.13 0.00 -0.55 0.00 0.00 66.41 65.29 2kkz h THR 197 Cb 0.39 1.44 -0.07 0.00 -1.73 0.00 0.00 68.15 68.18 2kkz h THR 197 CO -0.00 0.18 0.59 -0.07 -0.25 0.00 0.00 175.52 175.97 2kkz h LEU 198 N -0.62 0.77 -0.32 3.87 3.38 -1.73 -0.58 115.31 120.09 2kkz h LEU 198 Ca -0.02 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2kkz h LEU 198 Cb 0.46 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2kkz h LEU 198 CO 0.04 0.41 -0.53 1.56 0.09 0.00 0.00 178.44 180.00 2kkz h GLN 199 N 0.83 0.87 0.00 1.13 4.20 -1.01 0.15 115.11 121.28 2kkz h GLN 199 Ca 0.46 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2kkz h GLN 199 Cb 0.59 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2kkz h GLN 199 CO -0.22 1.18 -0.50 2.89 -0.67 0.00 0.00 178.83 181.51 2kkz n ARG 200 N -4.01 0.12 -0.12 1.46 -4.01 -0.83 -3.76 116.66 105.52 2kkz n ARG 200 Ca -0.04 0.04 -0.19 0.00 -1.04 0.00 0.00 57.85 56.61 2kkz n ARG 200 Cb 0.62 -1.58 -0.11 0.00 -3.04 0.00 0.00 32.46 28.36 2kkz n ARG 200 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 2kkz n PHE 201 N -1.75 0.00 0.06 2.89 3.72 -0.26 -4.90 117.46 117.21 2kkz n PHE 201 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2kkz n PHE 201 Cb 0.38 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 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 -3.44 3.00 -2.05 4.37 0.00 0.15 -2.83 120.51 119.71 2kkz n ALA 202 Ca -0.44 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 2kkz n ALA 202 Cb 0.93 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.34 2.82 -0.05 0.00 -0.00 0.28 -4.35 117.44 112.79 2kkz n TRP 203 Ca 0.00 -1.58 -0.11 0.00 -0.00 0.00 0.00 57.50 55.81 2kkz n TRP 203 Cb 0.00 -2.57 -0.04 0.00 -0.00 0.00 0.00 31.31 28.70 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 5.68 -0.18 2.50 5.87 0.00 -1.26 -4.53 105.19 113.27 2kkz n GLY 204 Ca 0.45 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 2kkz n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkz s SER 205 N -5.99 2.19 0.16 1.61 0.01 -1.26 -5.00 113.70 105.41 2kkz s SER 205 Ca -0.15 -2.27 -0.16 0.00 1.31 0.00 0.00 55.95 54.68 2kkz s SER 205 Cb 0.06 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.15 2kkz s SER 205 CO 0.19 -0.26 1.80 0.77 0.41 0.00 0.00 173.24 176.15 2kkz h SER 206 N 6.66 0.39 -0.85 2.44 4.64 -1.88 -3.47 113.55 121.48 2kkz h SER 206 Ca 0.11 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.06 2kkz h SER 206 Cb 0.97 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 62.84 2kkz h SER 206 CO 0.27 0.28 -0.33 0.59 -0.87 0.00 0.00 176.83 176.76 2kkz n ASN 207 N -4.86 -5.34 -4.38 4.97 5.03 -1.26 -4.27 115.26 105.16 2kkz n ASN 207 Ca 0.01 0.44 -0.45 0.00 0.87 0.00 0.00 54.58 55.45 2kkz n ASN 207 Cb 0.06 -4.41 -0.01 0.00 -1.02 0.00 0.00 39.78 34.40 2kkz n ASN 207 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2kkz s GLU 208 N -3.51 3.95 -1.05 3.52 2.56 -1.26 -4.97 118.70 117.93 2kkz s GLU 208 Ca 0.00 -2.70 -0.18 0.00 0.00 0.00 0.00 54.97 52.09 2kkz s GLU 208 Cb 0.00 -4.68 0.12 0.00 2.00 0.00 0.00 34.13 31.58 2kkz s GLU 208 CO 0.00 -1.43 1.32 -0.80 -0.56 0.00 0.00 175.26 173.79 2kkz s ASN 209 N 2.16 6.75 -1.09 -1.70 0.01 -1.26 -4.73 114.94 115.07 2kkz s ASN 209 Ca 0.30 -2.25 -0.21 0.00 -0.71 0.00 0.00 52.86 49.99 2kkz s ASN 209 Cb -0.08 -2.44 -0.08 0.00 0.41 0.00 0.00 41.25 39.06 2kkz s ASN 209 CO -0.07 -1.06 1.92 0.61 -1.51 0.00 0.00 177.10 177.00 2kkz n GLY 210 N 5.32 1.93 3.85 0.66 0.00 -1.26 -4.96 105.19 110.73 2kkz n GLY 210 Ca 0.31 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2kkz n GLY 210 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kkz s ARG 211 N 5.49 3.81 -0.12 1.61 1.70 -1.26 -4.97 118.95 125.20 2kkz s ARG 211 Ca 0.62 0.87 -0.28 0.00 -0.47 0.00 0.00 55.73 56.47 2kkz s ARG 211 Cb 0.06 -2.11 -0.01 0.00 -0.57 0.00 0.00 34.95 32.31 2kkz s ARG 211 CO 0.11 -0.39 0.93 -1.25 -1.08 0.00 0.00 175.30 173.62 2kkz s PRO 212 N -4.52 4.38 1.07 3.89 0.04 -1.26 -5.09 135.00 133.52 2kkz s PRO 212 Ca 0.57 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 2kkz s PRO 212 Cb -0.10 -3.55 0.23 0.00 0.04 0.00 0.00 34.50 31.11 2kkz s PRO 212 CO 0.40 -0.30 1.09 -2.14 0.04 0.00 0.00 177.00 176.10 2kkz s PRO 213 N 2.00 -0.17 -1.07 0.56 0.02 -1.26 -4.92 135.00 130.15 2kkz s PRO 213 Ca 0.44 0.35 -0.23 0.00 0.02 0.00 0.00 61.00 61.59 2kkz s PRO 213 Cb -0.18 -1.68 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2kkz s PRO 213 CO 0.16 -3.10 1.89 -0.51 -0.33 0.00 0.00 177.00 175.11 2kkz s LEU 214 N -6.66 3.19 0.12 -5.54 1.43 -1.26 -4.95 118.68 105.02 2kkz s LEU 214 Ca 0.67 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2kkz s LEU 214 Cb -0.17 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 2kkz s LEU 214 CO 0.58 -2.68 0.98 0.42 0.23 0.00 0.00 176.35 175.87 2kkz s THR 215 N 9.66 4.42 0.73 5.49 -4.23 -1.26 -5.03 115.64 125.42 2kkz s THR 215 Ca 0.66 2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 63.05 2kkz s THR 215 Cb -0.03 -4.29 0.04 0.00 1.34 0.00 0.00 72.50 69.56 2kkz s THR 215 CO 0.06 0.32 1.16 -1.48 -0.54 0.00 0.00 174.62 174.14 2kkz s LEU 216 N -0.07 3.27 0.00 4.79 0.05 -1.26 -5.30 118.68 120.17 2kkz s LEU 216 Ca 0.47 2.19 0.00 0.00 0.05 0.00 0.00 54.13 56.84 2kkz s LEU 216 Cb -0.24 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.33 2kkz s LEU 216 CO 0.30 -2.14 0.00 -1.84 -0.55 0.00 0.00 176.35 172.13