#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 2.05 -0.19 0.03 0.04 -1.26 -4.98 135.00 130.69 2kkz s PRO 85 Ca 0.00 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.23 2kkz s PRO 85 Cb 0.00 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2kkz s PRO 85 CO 0.00 -1.61 1.69 0.00 0.04 0.00 0.00 177.00 177.12 2kkz s ALA 86 N -3.26 3.28 -0.32 8.56 0.00 -1.26 -4.93 121.76 123.83 2kkz s ALA 86 Ca 0.61 0.58 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 2kkz s ALA 86 Cb -0.13 -3.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.07 2kkz s ALA 86 CO 0.53 -1.95 2.25 -1.54 0.00 0.00 0.00 175.76 175.05 2kkz s SER 87 N 4.49 5.15 -0.02 0.00 1.04 -1.26 -4.89 113.70 118.21 2kkz s SER 87 Ca 0.75 1.58 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 2kkz s SER 87 Cb -0.27 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 2kkz s SER 87 CO 0.30 -2.25 0.16 -0.60 0.98 0.00 0.00 173.24 171.83 2kkz s ARG 88 N 6.94 3.36 -0.27 4.02 3.52 -1.13 -4.91 118.95 130.48 2kkz s ARG 88 Ca 0.98 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 56.27 2kkz s ARG 88 Cb -0.27 -3.06 0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2kkz s ARG 88 CO 0.32 0.68 -0.10 0.71 -0.81 0.00 0.00 175.30 176.10 2kkz s TYR 89 N -1.26 3.27 -0.04 5.12 1.51 -1.26 -0.03 117.35 124.65 2kkz s TYR 89 Ca 0.25 -2.28 -0.23 0.00 -1.01 0.00 0.00 57.07 53.80 2kkz s TYR 89 Cb -0.12 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2kkz s TYR 89 CO 0.16 -0.87 0.68 0.42 -1.11 0.00 0.00 175.55 174.82 2kkz s ILE 90 N 1.12 4.98 -0.72 2.71 -1.09 -0.49 -4.95 121.20 122.75 2kkz s ILE 90 Ca -0.08 1.40 0.04 0.00 -2.23 0.00 0.00 60.65 59.78 2kkz s ILE 90 Cb -0.20 -4.02 0.17 0.00 -1.58 0.00 0.00 42.46 36.84 2kkz s ILE 90 CO -0.05 0.31 0.52 0.42 -1.23 0.00 0.00 174.94 174.91 2kkz s THR 91 N 0.46 3.11 0.14 2.92 -4.23 -1.26 -1.95 115.64 114.82 2kkz s THR 91 Ca 0.36 -4.14 0.14 0.00 -1.18 0.00 0.00 61.69 56.87 2kkz s THR 91 Cb -0.18 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.67 2kkz s THR 91 CO 0.18 -1.00 1.59 -0.78 -0.54 0.00 0.00 174.62 174.07 2kkz h ASP 92 N 5.59 0.00 -3.13 3.99 1.82 -1.68 -3.42 116.42 119.58 2kkz h ASP 92 Ca 0.13 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 56.13 2kkz h ASP 92 Cb 0.77 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.65 2kkz h ASP 92 CO 0.74 0.54 -0.54 0.00 -1.61 0.00 0.00 179.24 178.37 2kkz s MET 93 N -3.38 3.70 0.81 0.28 0.23 -1.25 -4.85 119.30 114.84 2kkz s MET 93 Ca 0.00 -0.29 -0.11 0.00 -1.03 0.00 0.00 55.69 54.27 2kkz s MET 93 Cb 0.11 -3.16 0.10 0.00 -1.53 0.00 0.00 34.83 30.34 2kkz s MET 93 CO 0.73 0.48 1.16 -0.08 -2.03 0.00 0.00 175.02 175.27 2kkz s THR 94 N -0.19 2.08 0.23 3.16 -1.32 -1.26 -4.81 115.64 113.52 2kkz s THR 94 Ca 0.08 -0.09 -0.06 0.00 -1.21 0.00 0.00 61.69 60.41 2kkz s THR 94 Cb -0.12 -2.98 0.19 0.00 -1.51 0.00 0.00 72.50 68.08 2kkz s THR 94 CO 0.01 0.00 1.81 0.40 -2.21 0.00 0.00 174.62 174.63 2kkz h ILE 95 N -1.03 0.93 -0.97 5.08 5.03 -1.98 0.50 117.51 125.08 2kkz h ILE 95 Ca -0.45 -0.26 0.16 0.00 -0.12 0.00 0.00 64.86 64.19 2kkz h ILE 95 Cb 1.31 0.11 -0.10 0.00 -3.03 0.00 0.00 36.82 35.11 2kkz h ILE 95 CO 0.59 0.14 0.57 -0.33 -0.68 0.00 0.00 178.15 178.44 2kkz h GLU 96 N 0.75 0.77 0.00 2.37 4.39 -1.98 -0.42 114.58 120.46 2kkz h GLU 96 Ca 0.36 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 2kkz h GLU 96 Cb 0.30 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2kkz h GLU 96 CO -0.23 0.51 -1.87 -0.85 -1.16 0.00 0.00 179.01 175.41 2kkz n GLU 97 N -4.75 0.65 0.13 2.33 0.28 -0.99 -3.78 120.64 114.51 2kkz n GLU 97 Ca 0.21 -0.09 -0.06 0.00 -0.16 0.00 0.00 57.16 57.05 2kkz n GLU 97 Cb 0.48 -1.59 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 2kkz n GLU 97 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kkz h LEU 98 N 0.00 -0.35 -0.02 -1.84 6.46 -0.40 -3.32 115.31 115.85 2kkz h LEU 98 Ca -0.10 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2kkz h LEU 98 Cb 1.25 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2kkz h LEU 98 CO 0.01 0.10 -0.02 -1.20 -0.62 0.00 0.00 178.44 176.70 2kkz n SER 99 N -5.05 0.05 -4.68 1.25 7.64 -0.21 -4.83 113.62 107.79 2kkz n SER 99 Ca -0.05 0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 2kkz n SER 99 Cb 0.17 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 2kkz n SER 99 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kkz n ARG 100 N -1.36 2.70 -3.51 1.43 3.00 -1.25 -5.00 116.66 112.68 2kkz n ARG 100 Ca 0.11 0.99 -0.34 0.00 -0.00 0.00 0.00 57.85 58.60 2kkz n ARG 100 Cb 0.29 -2.89 -0.05 0.00 0.00 0.00 0.00 32.46 29.80 2kkz n ARG 100 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2kkz s ASP 101 N 3.63 6.68 0.37 6.15 -4.77 -1.26 -5.01 116.67 122.45 2kkz s ASP 101 Ca 0.87 0.86 -0.09 0.00 -3.30 0.00 0.00 52.55 50.89 2kkz s ASP 101 Cb -0.51 -2.21 0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2kkz s ASP 101 CO 0.42 0.12 0.64 -1.66 0.70 0.00 0.00 175.17 175.39 2kkz s TRP 102 N -1.48 0.58 0.04 2.11 1.48 -1.26 -5.07 118.94 115.35 2kkz s TRP 102 Ca 0.36 -1.04 0.02 0.00 -1.06 0.00 0.00 56.10 54.38 2kkz s TRP 102 Cb -0.14 0.39 -0.03 0.00 -1.16 0.00 0.00 33.47 32.54 2kkz s TRP 102 CO 0.19 -1.36 -0.07 -0.59 -4.06 0.00 0.00 176.95 171.06 2kkz s PHE 103 N -2.67 0.61 -0.75 1.66 -0.71 -1.26 -5.10 117.98 109.75 2kkz s PHE 103 Ca 0.23 -0.56 -0.18 0.00 -1.04 0.00 0.00 56.93 55.37 2kkz s PHE 103 Cb -0.03 -0.37 0.13 0.00 -1.21 0.00 0.00 43.02 41.54 2kkz s PHE 103 CO 0.16 -0.12 0.88 -1.64 -1.34 0.00 0.00 175.22 173.16 2kkz s MET 104 N -1.82 3.32 0.32 1.99 -1.94 -1.26 -4.89 119.30 115.01 2kkz s MET 104 Ca -0.09 -1.60 0.03 0.00 -1.71 0.00 0.00 55.69 52.32 2kkz s MET 104 Cb -0.08 -4.50 0.61 0.00 2.01 0.00 0.00 34.83 32.87 2kkz s MET 104 CO -0.01 -1.61 1.92 1.37 -0.01 0.00 0.00 175.02 176.68 2kkz h LEU 105 N 9.91 0.83 -7.39 -0.03 -0.00 -1.96 -3.28 115.31 113.39 2kkz h LEU 105 Ca -0.08 0.01 -0.63 0.00 -0.00 0.00 0.00 57.88 57.18 2kkz h LEU 105 Cb 1.06 -0.17 -0.40 0.00 -0.00 0.00 0.00 40.66 41.15 2kkz h LEU 105 CO 1.05 0.52 -0.72 -0.04 -0.00 0.00 0.00 178.44 179.26 2kkz s MET 106 N -5.83 1.31 -0.09 0.17 -1.94 -1.26 -5.05 119.30 106.61 2kkz s MET 106 Ca -0.11 -1.78 -0.27 0.00 -1.71 0.00 0.00 55.69 51.82 2kkz s MET 106 Cb 0.20 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.26 2kkz s MET 106 CO 0.79 -1.01 0.88 -1.25 -0.01 0.00 0.00 175.02 174.42 2kkz s PRO 107 N 0.85 4.42 -0.19 2.03 0.04 -1.24 -1.90 135.00 139.01 2kkz s PRO 107 Ca 0.12 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2kkz s PRO 107 Cb -0.20 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 30.86 2kkz s PRO 107 CO -0.10 -0.17 -0.13 0.21 0.04 0.00 0.00 177.00 176.85 2kkz s LYS 108 N 1.53 2.27 -0.34 4.56 2.20 -0.59 -4.92 119.74 124.45 2kkz s LYS 108 Ca 0.44 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 55.14 2kkz s LYS 108 Cb -0.18 -2.42 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 2kkz s LYS 108 CO 0.19 -0.36 0.14 -1.14 -0.36 0.00 0.00 175.35 173.82 2kkz s GLN 109 N 1.37 2.86 -0.07 4.03 2.00 -1.26 -1.51 119.66 127.08 2kkz s GLN 109 Ca 0.00 -1.03 0.04 0.00 -2.00 0.00 0.00 55.36 52.37 2kkz s GLN 109 Cb -0.15 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 30.09 2kkz s GLN 109 CO -0.09 -0.61 -0.20 0.21 -0.50 0.00 0.00 175.29 174.10 2kkz s LYS 110 N 1.50 2.68 -0.23 1.67 2.47 -0.88 -5.05 119.74 121.89 2kkz s LYS 110 Ca 0.01 -0.80 -0.04 0.00 -1.56 0.00 0.00 55.97 53.58 2kkz s LYS 110 Cb -0.19 -2.31 -0.00 0.00 -1.46 0.00 0.00 37.83 33.87 2kkz s LYS 110 CO 0.04 0.43 -0.03 0.08 0.16 0.00 0.00 175.35 176.03 2kkz s VAL 111 N -0.25 3.36 -0.71 4.02 1.01 -1.26 -0.26 120.40 126.31 2kkz s VAL 111 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2kkz s VAL 111 Cb -0.13 -2.58 0.18 0.00 0.00 0.00 0.00 36.38 33.85 2kkz s VAL 111 CO 0.03 0.35 0.55 -0.70 0.00 0.00 0.00 175.10 175.33 2kkz s GLU 112 N 1.46 2.86 7.19 2.72 2.56 -0.34 -4.96 118.70 130.19 2kkz s GLU 112 Ca 0.05 -2.66 0.00 0.00 0.00 0.00 0.00 54.97 52.35 2kkz s GLU 112 Cb -0.15 -3.88 0.00 0.00 2.00 0.00 0.00 34.13 32.10 2kkz s GLU 112 CO -0.03 -1.21 0.00 0.41 -0.56 0.00 0.00 175.26 173.87 2kkz n GLY 113 N 3.34 2.77 0.23 -1.50 0.00 -1.26 -2.33 105.19 106.43 2kkz n GLY 113 Ca 0.11 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 7.93 1.17 -4.32 1.61 -0.04 -1.26 -4.92 135.00 135.18 2kkz n PRO 114 Ca 0.00 -0.45 -0.28 0.00 -0.04 0.00 0.00 63.50 62.72 2kkz n PRO 114 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.14 2.75 -0.35 1.53 1.43 -0.99 -1.72 118.68 119.19 2kkz s LEU 115 Ca 0.38 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2kkz s LEU 115 Cb 0.21 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.93 2kkz s LEU 115 CO 0.39 0.15 0.16 0.00 0.23 0.00 0.00 176.35 177.27 2kkz s ILE 117 N 1.50 5.21 -0.11 0.00 -1.09 0.65 -1.49 121.20 125.86 2kkz s ILE 117 Ca 0.01 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2kkz s ILE 117 Cb -0.19 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2kkz s ILE 117 CO 0.05 0.46 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.99 2kkz s ARG 118 N -1.46 1.69 -0.14 2.79 0.52 0.26 -2.07 118.95 120.55 2kkz s ARG 118 Ca 0.25 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 2kkz s ARG 118 Cb -0.14 -1.65 -0.00 0.00 0.52 0.00 0.00 34.95 33.68 2kkz s ARG 118 CO 0.14 -0.21 -0.17 0.42 0.02 0.00 0.00 175.30 175.50 2kkz s ILE 119 N 1.49 2.59 0.26 1.52 -1.09 -0.57 -2.78 121.20 122.63 2kkz s ILE 119 Ca 0.02 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.34 2kkz s ILE 119 Cb -0.13 -2.07 -0.09 0.00 -1.58 0.00 0.00 42.46 38.58 2kkz s ILE 119 CO -0.07 0.53 0.95 1.51 -1.23 0.00 0.00 174.94 176.64 2kkz s ASP 120 N 0.63 7.54 0.00 3.58 -4.77 -1.18 -1.55 116.67 120.93 2kkz s ASP 120 Ca -0.09 1.95 0.20 0.00 -3.30 0.00 0.00 52.55 51.30 2kkz s ASP 120 Cb -0.16 -2.60 0.28 0.00 -1.09 0.00 0.00 42.92 39.35 2kkz s ASP 120 CO 0.03 0.08 1.23 0.00 0.70 0.00 0.00 175.17 177.21 2kkz n GLN 121 N 1.25 2.09 -0.08 2.11 6.02 -0.80 -4.73 117.38 123.24 2kkz n GLN 121 Ca -0.01 -1.94 -0.15 0.00 -0.01 0.00 0.00 57.00 54.89 2kkz n GLN 121 Cb 0.48 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 2kkz n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkz n ALA 122 N 1.18 1.84 -2.60 -1.58 0.00 -1.26 -4.98 120.51 113.11 2kkz n ALA 122 Ca 0.15 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 2kkz n ALA 122 Cb 0.52 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 2kkz n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kkz s ILE 123 N -2.30 4.16 0.21 0.00 -1.09 -1.26 -4.98 121.20 115.93 2kkz s ILE 123 Ca -0.22 0.76 0.06 0.00 -2.23 0.00 0.00 60.65 59.02 2kkz s ILE 123 Cb 0.08 -4.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.26 2kkz s ILE 123 CO 0.31 -1.22 -0.11 -0.04 -1.23 0.00 0.00 174.94 172.66 2kkz s MET 124 N 4.58 1.32 0.00 2.79 -1.94 -1.26 -4.77 119.30 120.02 2kkz s MET 124 Ca 0.40 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 2kkz s MET 124 Cb -0.09 -0.98 0.00 0.00 2.01 0.00 0.00 34.83 35.77 2kkz s MET 124 CO 0.24 0.11 0.00 -0.25 -0.01 0.00 0.00 175.02 175.11 2kkz n ASP 125 N -0.39 -3.22 -4.84 3.03 8.00 -1.25 -4.97 116.55 112.92 2kkz n ASP 125 Ca -0.08 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.15 2kkz n ASP 125 Cb 0.61 -2.23 -0.05 0.00 -0.02 0.00 0.00 41.12 39.43 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kkz s LYS 126 N -1.11 3.06 -0.50 -1.24 -0.14 -1.26 -4.87 119.74 113.68 2kkz s LYS 126 Ca 0.00 -0.74 -0.23 0.00 -1.36 0.00 0.00 55.97 53.64 2kkz s LYS 126 Cb 0.00 -2.76 0.04 0.00 -1.68 0.00 0.00 37.83 33.42 2kkz s LYS 126 CO 0.00 0.52 0.84 -0.80 -0.76 0.00 0.00 175.35 175.15 2kkz s ASN 127 N -2.95 6.36 -0.28 2.83 0.01 -1.26 -1.35 114.94 118.30 2kkz s ASN 127 Ca 0.32 -0.31 -0.08 0.00 -0.71 0.00 0.00 52.86 52.08 2kkz s ASN 127 Cb -0.11 -2.40 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 2kkz s ASN 127 CO 0.25 -1.05 0.10 -0.63 -1.51 0.00 0.00 177.10 174.26 2kkz s ILE 128 N 3.51 4.40 -0.16 0.60 1.01 -0.22 -2.49 121.20 127.85 2kkz s ILE 128 Ca 0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2kkz s ILE 128 Cb -0.13 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2kkz s ILE 128 CO 0.20 0.21 0.09 -0.32 0.00 0.00 0.00 174.94 175.12 2kkz s MET 129 N 1.60 3.75 -0.41 2.79 -2.45 0.30 -1.85 119.30 123.04 2kkz s MET 129 Ca 0.05 -0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 54.14 2kkz s MET 129 Cb -0.16 -3.19 0.08 0.00 1.25 0.00 0.00 34.83 32.81 2kkz s MET 129 CO 0.05 0.47 0.24 -0.51 1.05 0.00 0.00 175.02 176.31 2kkz s LEU 130 N -0.16 5.12 0.12 4.11 1.43 0.16 -2.56 118.68 126.90 2kkz s LEU 130 Ca 0.08 -1.61 0.09 0.00 -1.03 0.00 0.00 54.13 51.67 2kkz s LEU 130 Cb -0.12 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2kkz s LEU 130 CO 0.01 -0.53 -0.19 -0.54 0.23 0.00 0.00 176.35 175.33 2kkz s LYS 131 N 1.36 1.75 0.08 1.70 1.02 -1.01 -1.50 119.74 123.14 2kkz s LYS 131 Ca 0.03 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.81 2kkz s LYS 131 Cb -0.23 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2kkz s LYS 131 CO 0.01 0.48 0.03 0.00 -0.92 0.00 0.00 175.35 174.95 2kkz s ALA 132 N -1.12 0.52 -0.13 5.17 0.00 -1.26 -1.32 121.76 123.62 2kkz s ALA 132 Ca 0.17 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2kkz s ALA 132 Cb -0.10 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2kkz s ALA 132 CO 0.09 -0.43 -0.03 -0.80 0.00 0.00 0.00 175.76 174.59 2kkz s ASN 133 N -2.96 4.92 0.16 0.00 0.02 -0.20 -1.55 114.94 115.33 2kkz s ASN 133 Ca 0.13 -0.05 -0.23 0.00 -1.02 0.00 0.00 52.86 51.69 2kkz s ASN 133 Cb 0.07 -1.65 0.07 0.00 0.02 0.00 0.00 41.25 39.76 2kkz s ASN 133 CO -0.06 0.24 0.63 0.72 0.02 0.00 0.00 177.10 178.65 2kkz s PHE 134 N -0.04 -0.50 0.37 2.20 -0.71 -0.82 -1.31 117.98 117.17 2kkz s PHE 134 Ca 0.02 0.27 -0.09 0.00 -1.04 0.00 0.00 56.93 56.09 2kkz s PHE 134 Cb -0.13 0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 42.19 2kkz s PHE 134 CO 0.02 -0.86 0.71 -1.12 -1.34 0.00 0.00 175.22 172.64 2kkz s SER 135 N -2.75 6.50 -0.06 1.98 0.01 -0.28 -1.40 113.70 117.70 2kkz s SER 135 Ca 0.02 1.02 0.03 0.00 1.31 0.00 0.00 55.95 58.33 2kkz s SER 135 Cb -0.01 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 63.95 2kkz s SER 135 CO -0.11 -0.34 -0.13 -0.69 0.41 0.00 0.00 173.24 172.38 2kkz s VAL 136 N -2.29 1.14 -0.03 3.43 1.01 0.95 -1.07 120.40 123.53 2kkz s VAL 136 Ca 0.49 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2kkz s VAL 136 Cb -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2kkz s VAL 136 CO 0.31 0.35 0.10 -0.51 0.00 0.00 0.00 175.10 175.35 2kkz s ILE 137 N 0.53 0.01 -1.46 2.22 1.10 -0.39 -2.83 121.20 120.38 2kkz s ILE 137 Ca -0.12 -0.12 -0.08 0.00 -0.51 0.00 0.00 60.65 59.82 2kkz s ILE 137 Cb -0.14 -0.19 0.02 0.00 0.15 0.00 0.00 42.46 42.30 2kkz s ILE 137 CO 0.03 -0.06 0.90 0.49 -2.11 0.00 0.00 174.94 174.19 2kkz n PHE 138 N 2.79 -2.40 -1.34 3.50 3.72 -1.26 -1.47 117.46 121.00 2kkz n PHE 138 Ca -0.14 0.78 -0.12 0.00 -0.05 0.00 0.00 57.45 57.93 2kkz n PHE 138 Cb 0.59 -4.55 -0.05 0.00 -0.94 0.00 0.00 39.48 34.53 2kkz n PHE 138 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kkz n ASP 139 N -2.76 -5.26 -4.32 4.37 8.00 -1.26 -4.98 116.55 110.34 2kkz n ASP 139 Ca -0.03 0.29 -0.17 0.00 0.71 0.00 0.00 54.79 55.59 2kkz n ASP 139 Cb 0.58 -3.79 -0.10 0.00 -0.02 0.00 0.00 41.12 37.78 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkz s ARG 140 N -2.88 1.35 -0.17 -1.24 1.70 -0.54 -4.56 118.95 112.60 2kkz s ARG 140 Ca 0.00 -1.70 -0.29 0.00 -0.47 0.00 0.00 55.73 53.27 2kkz s ARG 140 Cb 0.00 -0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 33.88 2kkz s ARG 140 CO 0.00 -0.18 1.69 -1.17 -1.08 0.00 0.00 175.30 174.57 2kkz s LEU 141 N -3.30 3.98 -0.07 -1.89 0.20 -0.61 -1.26 118.68 115.73 2kkz s LEU 141 Ca 0.31 1.83 -0.03 0.00 0.69 0.00 0.00 54.13 56.93 2kkz s LEU 141 Cb 0.07 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.28 2kkz s LEU 141 CO 0.10 -1.24 0.13 -0.08 -0.29 0.00 0.00 176.35 174.98 2kkz h GLU 142 N 10.83 -0.10 -2.92 1.98 4.81 -1.36 -3.40 114.58 124.43 2kkz h GLU 142 Ca -0.36 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.68 2kkz h GLU 142 Cb 1.17 0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.27 2kkz h GLU 142 CO 0.99 -0.06 -0.48 0.99 -0.73 0.00 0.00 179.01 179.71 2kkz s THR 143 N -1.80 -0.20 0.06 0.32 2.01 -1.24 -3.78 115.64 111.01 2kkz s THR 143 Ca -0.01 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 2kkz s THR 143 Cb 0.00 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 72.02 2kkz s THR 143 CO 0.04 0.08 1.23 -0.22 -0.69 0.00 0.00 174.62 175.06 2kkz s LEU 144 N 1.75 4.36 -0.19 4.42 2.96 -1.26 -1.13 118.68 129.60 2kkz s LEU 144 Ca -0.05 2.04 -0.21 0.00 -0.22 0.00 0.00 54.13 55.69 2kkz s LEU 144 Cb -0.11 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 42.82 2kkz s LEU 144 CO -0.09 -0.51 0.26 0.40 -1.32 0.00 0.00 176.35 175.09 2kkz h ILE 145 N 4.52 0.94 -1.89 6.68 2.04 -1.56 -3.44 117.51 124.81 2kkz h ILE 145 Ca -0.41 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.35 2kkz h ILE 145 Cb 1.21 2.15 -0.20 0.00 -0.74 0.00 0.00 36.82 39.24 2kkz h ILE 145 CO 0.83 0.32 0.27 -0.22 0.00 0.00 0.00 178.15 179.34 2kkz s LEU 146 N -7.96 -0.60 0.03 1.44 2.96 -0.99 -4.50 118.68 109.06 2kkz s LEU 146 Ca -0.26 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 2kkz s LEU 146 Cb 0.04 2.36 -0.02 0.00 0.50 0.00 0.00 46.19 49.07 2kkz s LEU 146 CO 0.56 -0.48 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.83 2kkz s LEU 147 N -0.88 2.24 0.03 -0.68 0.20 -0.34 -1.03 118.68 118.21 2kkz s LEU 147 Ca -0.07 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.27 2kkz s LEU 147 Cb -0.01 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.65 2kkz s LEU 147 CO 0.06 -0.22 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.68 2kkz s ARG 148 N -1.46 0.65 -0.20 1.98 0.52 -0.43 -1.23 118.95 118.77 2kkz s ARG 148 Ca -0.11 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.46 2kkz s ARG 148 Cb -0.10 -0.56 -0.02 0.00 0.52 0.00 0.00 34.95 34.80 2kkz s ARG 148 CO -0.00 0.13 -0.02 0.00 0.02 0.00 0.00 175.30 175.44 2kkz s ALA 149 N -0.82 2.95 0.22 2.13 0.00 -0.52 -2.42 121.76 123.30 2kkz s ALA 149 Ca -0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2kkz s ALA 149 Cb -0.07 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2kkz s ALA 149 CO 0.00 -0.21 0.41 -0.59 0.00 0.00 0.00 175.76 175.37 2kkz s PHE 150 N 1.11 0.40 0.62 0.00 -0.12 -1.06 -0.71 117.98 118.22 2kkz s PHE 150 Ca 0.02 -0.74 -0.06 0.00 -0.05 0.00 0.00 56.93 56.09 2kkz s PHE 150 Cb -0.14 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 2kkz s PHE 150 CO 0.01 -0.90 0.94 0.95 -0.05 0.00 0.00 175.22 176.17 2kkz s THR 151 N -4.01 3.35 -1.05 -4.49 -4.23 -0.54 -0.54 115.64 104.13 2kkz s THR 151 Ca 0.22 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 2kkz s THR 151 Cb 0.01 -3.36 0.10 0.00 1.34 0.00 0.00 72.50 70.59 2kkz s THR 151 CO 0.06 -0.38 1.32 -0.62 -0.54 0.00 0.00 174.62 174.46 2kkz n GLU 152 N -2.68 0.02 0.16 3.99 1.02 -1.04 -1.66 120.64 120.45 2kkz n GLU 152 Ca 0.05 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.55 2kkz n GLU 152 Cb 0.58 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.57 2kkz n GLU 152 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kkz h GLU 153 N 0.00 0.00 0.00 3.49 5.08 -1.93 -3.48 114.58 117.74 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 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kkz h GLU 153 CO 0.00 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 2kkz n GLY 154 N 1.17 0.63 3.58 -3.84 0.00 -0.66 -5.07 105.19 101.00 2kkz n GLY 154 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 2.84 -0.23 4.61 0.00 -1.26 -4.82 121.76 120.90 2kkz s ALA 155 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2kkz s ALA 155 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2kkz s ALA 155 CO 0.00 -2.80 1.18 0.42 0.00 0.00 0.00 175.76 174.55 2kkz s ILE 156 N 6.23 4.40 -0.32 0.00 1.01 -1.26 -1.47 121.20 129.79 2kkz s ILE 156 Ca 0.60 1.67 0.14 0.00 0.00 0.00 0.00 60.65 63.06 2kkz s ILE 156 Cb -0.13 -4.18 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 2kkz s ILE 156 CO 0.28 -0.27 0.44 1.33 0.00 0.00 0.00 174.94 176.73 2kkz n VAL 157 N 5.59 0.00 -3.84 2.92 0.24 0.11 -4.68 118.33 118.67 2kkz n VAL 157 Ca 0.13 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.34 62.13 2kkz n VAL 157 Cb 0.46 0.56 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 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 -3.02 0.13 -0.07 7.63 0.00 -0.21 -3.12 107.32 108.66 2kkz s GLY 158 Ca -0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 2kkz s GLY 158 CO 0.58 1.17 0.88 1.85 0.00 0.00 0.00 173.10 177.58 2kkz s GLU 159 N -2.44 0.79 -0.16 2.90 2.12 -1.12 -1.43 118.70 119.36 2kkz s GLU 159 Ca 0.18 -0.02 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 2kkz s GLU 159 Cb -0.03 0.37 0.04 0.00 0.26 0.00 0.00 34.13 34.76 2kkz s GLU 159 CO 0.07 -0.29 -0.08 0.42 -0.54 0.00 0.00 175.26 174.84 2kkz s ILE 160 N -1.95 1.26 -0.14 -3.70 1.01 -0.37 -0.57 121.20 116.74 2kkz s ILE 160 Ca -0.01 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 2kkz s ILE 160 Cb -0.01 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.14 2kkz s ILE 160 CO -0.01 0.22 -0.09 -0.55 0.00 0.00 0.00 174.94 174.51 2kkz s SER 161 N 1.58 2.49 0.04 3.58 0.15 -0.56 -1.20 113.70 119.78 2kkz s SER 161 Ca 0.02 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 2kkz s SER 161 Cb -0.15 -0.95 -0.08 0.00 -1.71 0.00 0.00 66.02 63.13 2kkz s SER 161 CO -0.08 -0.12 1.85 -2.16 1.20 0.00 0.00 173.24 173.92 2kkz s PRO 162 N 1.63 4.15 0.05 5.44 0.04 -1.26 -1.11 135.00 143.94 2kkz s PRO 162 Ca 0.04 2.49 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 2kkz s PRO 162 Cb -0.13 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 2kkz s PRO 162 CO -0.09 -0.89 1.30 -0.51 0.04 0.00 0.00 177.00 176.85 2kkz s LEU 163 N 3.88 4.35 0.39 -3.56 1.43 -0.70 -4.93 118.68 119.54 2kkz s LEU 163 Ca 0.82 2.09 0.27 0.00 -1.03 0.00 0.00 54.13 56.29 2kkz s LEU 163 Cb -0.41 -3.57 1.42 0.00 0.03 0.00 0.00 46.19 43.66 2kkz s LEU 163 CO 0.37 -0.59 1.81 -0.65 0.23 0.00 0.00 176.35 177.53 2kkz h PRO 164 N 7.12 0.00 0.00 1.29 0.11 -1.93 -0.85 132.00 137.74 2kkz h PRO 164 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kkz h PRO 164 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kkz h PRO 164 CO 0.85 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.41 2kkz h SER 165 N 0.00 0.00 -3.99 -2.05 0.02 -1.94 -3.35 113.55 102.24 2kkz h SER 165 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2kkz h SER 165 Cb 0.03 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.17 2kkz h SER 165 CO 0.00 0.00 -0.68 -0.36 -1.14 0.00 0.00 176.83 174.65 2kkz s PHE 166 N -3.68 2.73 0.31 3.45 0.40 -0.33 -4.99 117.98 115.88 2kkz s PHE 166 Ca -0.01 -2.85 0.08 0.00 -0.60 0.00 0.00 56.93 53.54 2kkz s PHE 166 Cb 0.09 -2.45 0.52 0.00 0.51 0.00 0.00 43.02 41.69 2kkz s PHE 166 CO 0.36 -0.77 1.74 -1.00 0.70 0.00 0.00 175.22 176.25 2kkz h PRO 167 N 6.68 0.21 -4.37 0.24 0.13 -1.79 -3.40 132.00 129.69 2kkz h PRO 167 Ca -0.05 -0.09 -0.66 0.00 -0.87 0.00 0.00 66.00 64.33 2kkz h PRO 167 Cb 0.91 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.64 2kkz h PRO 167 CO 0.60 0.56 -0.68 0.20 -0.23 0.00 0.00 178.00 178.45 2kkz s GLY 168 N -4.21 2.07 0.22 1.56 0.00 -1.26 -5.09 107.32 100.60 2kkz s GLY 168 Ca -0.04 -2.71 0.09 0.00 0.00 0.00 0.00 44.72 42.05 2kkz s GLY 168 CO 0.76 0.96 -0.03 -2.38 0.00 0.00 0.00 173.10 172.41 2kkz s HIS 169 N 0.64 2.70 0.28 1.90 -3.43 -1.26 -5.14 115.29 110.98 2kkz s HIS 169 Ca 0.12 -0.21 0.08 0.00 -0.80 0.00 0.00 55.06 54.25 2kkz s HIS 169 Cb -0.21 -1.25 -0.03 0.00 -1.43 0.00 0.00 32.58 29.66 2kkz s HIS 169 CO -0.06 0.57 0.20 0.99 -2.00 0.00 0.00 174.74 174.44 2kkz s THR 170 N -2.03 3.95 0.53 -5.38 2.01 -1.26 -4.75 115.64 108.71 2kkz s THR 170 Ca 0.29 -1.48 0.23 0.00 0.31 0.00 0.00 61.69 61.04 2kkz s THR 170 Cb -0.08 -3.24 0.36 0.00 0.01 0.00 0.00 72.50 69.56 2kkz s THR 170 CO 0.18 -0.29 2.04 -0.29 -0.69 0.00 0.00 174.62 175.57 2kkz h ILE 171 N 1.47 0.80 0.03 1.82 2.10 -1.77 -3.04 117.51 118.92 2kkz h ILE 171 Ca -0.46 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.50 2kkz h ILE 171 Cb 1.25 0.80 -0.03 0.00 -1.09 0.00 0.00 36.82 37.75 2kkz h ILE 171 CO 0.60 0.00 -0.17 -0.33 -1.08 0.00 0.00 178.15 177.17 2kkz h GLU 172 N 0.00 -0.28 0.00 2.19 4.39 -1.93 -0.96 114.58 117.98 2kkz h GLU 172 Ca 0.19 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 2kkz h GLU 172 Cb 0.75 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2kkz h GLU 172 CO -0.00 -0.19 -0.35 0.38 -1.16 0.00 0.00 179.01 177.68 2kkz h ASP 173 N -0.29 0.00 -0.58 1.42 3.04 -1.95 -1.93 116.42 116.12 2kkz h ASP 173 Ca 0.04 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.75 2kkz h ASP 173 Cb 0.35 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.62 2kkz h ASP 173 CO -0.14 0.35 0.04 0.58 -2.04 0.00 0.00 179.24 178.03 2kkz h VAL 174 N 0.00 1.26 -0.02 4.15 2.07 -1.37 -0.42 116.25 121.92 2kkz h VAL 174 Ca -0.00 -1.07 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 2kkz h VAL 174 Cb 0.95 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2kkz h VAL 174 CO 0.05 0.39 -0.61 0.11 0.02 0.00 0.00 177.57 177.53 2kkz h LYS 175 N 0.90 0.06 -0.32 1.57 1.57 -0.89 -1.22 116.57 118.23 2kkz h LYS 175 Ca 0.17 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2kkz h LYS 175 Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2kkz h LYS 175 CO 0.02 0.65 0.14 -0.91 -0.57 0.00 0.00 179.45 178.78 2kkz h ASN 176 N 0.04 0.43 -0.16 0.86 2.35 -1.27 -2.49 115.58 115.35 2kkz h ASN 176 Ca -0.01 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2kkz h ASN 176 Cb 1.08 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2kkz h ASN 176 CO 0.08 0.46 0.08 0.00 -1.65 0.00 0.00 177.43 176.40 2kkz h ALA 177 N 0.99 0.20 -0.11 -0.83 0.00 -0.65 -0.23 119.26 118.64 2kkz h ALA 177 Ca 0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2kkz h ALA 177 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kkz h ALA 177 CO -0.01 -0.25 -0.37 0.82 0.00 0.00 0.00 179.25 179.43 2kkz h ILE 178 N 0.15 1.29 -0.59 0.00 2.04 -1.32 -0.95 117.51 118.12 2kkz h ILE 178 Ca 0.06 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 2kkz h ILE 178 Cb 0.09 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2kkz h ILE 178 CO -0.01 0.43 0.05 1.23 0.00 0.00 0.00 178.15 179.85 2kkz h GLY 179 N 1.16 1.06 0.94 5.37 0.00 -0.95 -0.87 103.07 109.78 2kkz h GLY 179 Ca 0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 47.33 46.49 2kkz h GLY 179 CO 0.06 0.66 -0.48 -2.08 0.00 0.00 0.00 176.54 174.69 2kkz h VAL 180 N 0.91 1.34 0.14 4.60 2.07 -0.80 -0.49 116.25 124.02 2kkz h VAL 180 Ca 0.18 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.97 2kkz h VAL 180 Cb 0.46 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2kkz h VAL 180 CO 0.02 0.54 -0.34 0.25 0.02 0.00 0.00 177.57 178.06 2kkz h LEU 181 N 0.26 -0.98 -0.61 2.57 5.85 -1.13 -1.00 115.31 120.28 2kkz h LEU 181 Ca -0.02 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2kkz h LEU 181 Cb 1.11 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 2kkz h LEU 181 CO 0.10 -0.43 0.27 0.40 -0.34 0.00 0.00 178.44 178.44 2kkz h ILE 182 N -0.58 0.84 -0.86 4.05 2.04 -1.22 -2.72 117.51 119.07 2kkz h ILE 182 Ca 0.03 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.82 2kkz h ILE 182 Cb 0.60 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2kkz h ILE 182 CO -0.19 0.09 0.51 1.23 0.00 0.00 0.00 178.15 179.79 2kkz h GLY 183 N 0.49 1.35 1.72 5.37 0.00 -0.40 0.13 103.07 111.74 2kkz h GLY 183 Ca 0.30 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 2kkz h GLY 183 CO -0.26 0.15 -0.56 -1.33 0.00 0.00 0.00 176.54 174.54 2kkz h GLY 184 N 0.85 0.32 2.00 4.60 0.00 -1.02 -3.05 103.07 106.76 2kkz h GLY 184 Ca 0.42 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 2kkz h GLY 184 CO -0.24 0.33 -0.54 1.41 0.00 0.00 0.00 176.54 177.50 2kkz h LEU 185 N 0.22 0.00 -1.12 3.11 3.38 -0.95 -3.02 115.31 116.92 2kkz h LEU 185 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kkz h LEU 185 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2kkz h LEU 185 CO 0.09 0.54 0.51 -0.33 0.09 0.00 0.00 178.44 179.34 2kkz h GLU 186 N 0.00 1.11 -0.03 1.13 4.39 -0.67 -2.33 114.58 118.17 2kkz h GLU 186 Ca -0.01 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2kkz h GLU 186 Cb 1.02 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2kkz h GLU 186 CO 0.07 0.76 -0.46 0.00 -1.16 0.00 0.00 179.01 178.22 2kkz h ARG 187 N 1.13 0.08 -0.06 2.33 3.08 -1.55 -2.64 114.38 116.75 2kkz h ARG 187 Ca 0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2kkz h ARG 187 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2kkz h ARG 187 CO -0.06 0.53 0.00 0.09 -1.07 0.00 0.00 179.97 179.46 2kkz n ASN 188 N -3.99 0.54 -2.16 7.04 4.13 -0.89 -4.92 115.26 115.02 2kkz n ASN 188 Ca -0.02 -1.56 -0.20 0.00 1.68 0.00 0.00 54.58 54.48 2kkz n ASN 188 Cb 0.49 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.66 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 -0.41 -5.66 -4.85 6.41 2.03 -0.99 -3.94 116.55 109.14 2kkz n ASP 189 Ca 0.14 0.15 -0.21 0.00 0.52 0.00 0.00 54.79 55.38 2kkz n ASP 189 Cb 0.14 -4.80 -0.04 0.00 -0.72 0.00 0.00 41.12 35.71 2kkz n ASP 189 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kkz s ASN 190 N -2.25 5.56 -0.37 1.67 2.20 -1.19 -3.96 114.94 116.60 2kkz s ASN 190 Ca 0.00 -0.28 -0.20 0.00 -0.94 0.00 0.00 52.86 51.44 2kkz s ASN 190 Cb 0.00 -1.33 0.01 0.00 -2.00 0.00 0.00 41.25 37.92 2kkz s ASN 190 CO 0.00 -0.14 0.63 -0.89 -2.94 0.00 0.00 177.10 173.76 2kkz s THR 191 N -2.16 4.89 -0.03 0.54 2.01 -0.45 -4.68 115.64 115.75 2kkz s THR 191 Ca 0.35 0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 2kkz s THR 191 Cb -0.08 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2kkz s THR 191 CO 0.26 -0.36 0.56 0.68 -0.69 0.00 0.00 174.62 175.06 2kkz s VAL 192 N 2.70 4.98 -0.03 3.82 -7.23 -1.26 -1.05 120.40 122.33 2kkz s VAL 192 Ca 0.24 1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 61.55 2kkz s VAL 192 Cb -0.14 -3.89 0.03 0.00 0.56 0.00 0.00 36.38 32.94 2kkz s VAL 192 CO 0.16 0.41 0.06 -0.60 -0.31 0.00 0.00 175.10 174.81 2kkz s ARG 193 N -0.11 -0.01 0.12 4.82 3.52 -0.77 -4.98 118.95 121.55 2kkz s ARG 193 Ca 0.29 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 2kkz s ARG 193 Cb -0.17 -0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 32.94 2kkz s ARG 193 CO 0.15 -0.17 0.12 0.08 -0.81 0.00 0.00 175.30 174.67 2kkz s VAL 194 N 1.13 4.54 0.53 7.11 1.01 -1.26 -0.67 120.40 132.79 2kkz s VAL 194 Ca -0.09 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 2kkz s VAL 194 Cb -0.13 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 2kkz s VAL 194 CO -0.04 0.00 1.33 -1.20 0.00 0.00 0.00 175.10 175.19 2kkz n SER 195 N 0.02 2.57 0.19 3.32 7.64 -0.56 -4.84 113.62 121.96 2kkz n SER 195 Ca -0.08 0.99 0.04 0.00 1.01 0.00 0.00 58.87 60.83 2kkz n SER 195 Cb 0.53 -1.56 0.37 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.49 0.00 0.01 1.43 6.56 -1.99 0.92 116.57 124.99 2kkz h LYS 196 Ca -0.50 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2kkz h LYS 196 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2kkz h LYS 196 CO 0.57 0.37 -0.00 1.79 -2.06 0.00 0.00 179.45 180.12 2kkz h THR 197 N 0.00 1.27 -0.19 -0.16 1.35 -1.99 -2.50 112.91 110.69 2kkz h THR 197 Ca -0.00 -0.85 0.04 0.00 -0.55 0.00 0.00 66.41 65.04 2kkz h THR 197 Cb 0.75 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2kkz h THR 197 CO 0.05 0.22 0.14 -0.07 -0.25 0.00 0.00 175.52 175.60 2kkz h LEU 198 N -0.38 0.07 0.25 3.87 3.38 -1.78 0.09 115.31 120.80 2kkz h LEU 198 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kkz h LEU 198 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2kkz h LEU 198 CO 0.00 0.05 -0.12 1.56 0.09 0.00 0.00 178.44 180.02 2kkz h GLN 199 N 0.08 -0.32 0.00 1.13 4.20 -0.77 0.61 115.11 120.04 2kkz h GLN 199 Ca 0.09 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2kkz h GLN 199 Cb 0.25 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2kkz h GLN 199 CO -0.01 0.04 -0.09 2.89 -0.67 0.00 0.00 178.83 180.99 2kkz n ARG 200 N -5.03 0.10 -0.09 1.46 -4.01 -0.95 -2.18 116.66 105.96 2kkz n ARG 200 Ca -0.08 0.07 -0.18 0.00 -1.04 0.00 0.00 57.85 56.61 2kkz n ARG 200 Cb 0.26 -1.61 -0.13 0.00 -3.04 0.00 0.00 32.46 27.95 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 -1.77 0.34 0.05 2.89 3.72 -0.01 -4.83 117.46 117.85 2kkz n PHE 201 Ca 0.06 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2kkz n PHE 201 Cb 0.37 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 -3.16 3.00 -2.22 4.37 0.00 -0.39 -1.57 120.51 120.53 2kkz n ALA 202 Ca -0.42 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 2kkz n ALA 202 Cb 1.01 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 20.62 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 3.50 0.00 0.00 -0.00 0.07 -3.99 117.44 113.68 2kkz n TRP 203 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 57.50 55.41 2kkz n TRP 203 Cb 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 28.73 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 5.51 -0.85 0.68 5.87 0.00 -1.26 -4.63 105.19 110.51 2kkz n GLY 204 Ca 0.47 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.65 2kkz n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kkz n SER 205 N 0.00 1.91 -4.56 1.61 3.41 -1.26 -4.82 113.62 109.91 2kkz n SER 205 Ca 0.00 -2.10 -0.33 0.00 -0.26 0.00 0.00 58.87 56.17 2kkz n SER 205 Cb 0.00 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 2kkz n SER 205 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kkz s SER 206 N -0.80 5.76 -0.04 4.04 0.01 -1.26 -4.95 113.70 116.46 2kkz s SER 206 Ca 0.20 -1.10 0.05 0.00 1.31 0.00 0.00 55.95 56.41 2kkz s SER 206 Cb 0.12 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2kkz s SER 206 CO 0.11 -2.19 -0.18 0.20 0.41 0.00 0.00 173.24 171.58 2kkz s ASN 207 N 6.57 3.68 -0.17 2.44 -0.87 -1.26 -4.83 114.94 120.50 2kkz s ASN 207 Ca 0.59 -0.29 -0.14 0.00 -1.57 0.00 0.00 52.86 51.45 2kkz s ASN 207 Cb -0.03 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.25 40.48 2kkz s ASN 207 CO -0.04 0.34 0.29 -0.70 -2.57 0.00 0.00 177.10 174.42 2kkz s GLU 208 N -0.70 4.24 -1.13 -0.60 2.56 -1.26 -5.04 118.70 116.77 2kkz s GLU 208 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 54.97 55.05 2kkz s GLU 208 Cb -0.10 -3.45 0.27 0.00 2.00 0.00 0.00 34.13 32.85 2kkz s GLU 208 CO -0.00 0.20 1.19 -1.71 -0.56 0.00 0.00 175.26 174.37 2kkz n ASN 209 N 3.73 5.54 -4.63 -1.70 5.15 -1.26 -4.99 115.26 117.09 2kkz n ASN 209 Ca -0.12 -3.05 -0.39 0.00 -0.60 0.00 0.00 54.58 50.42 2kkz n ASN 209 Cb 0.52 -1.40 -0.08 0.00 -0.53 0.00 0.00 39.78 38.29 2kkz n ASN 209 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kkz s GLY 210 N 1.32 1.96 0.23 8.20 0.00 -1.26 -5.09 107.32 112.68 2kkz s GLY 210 Ca 0.33 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 44.20 2kkz s GLY 210 CO -0.06 0.94 0.69 1.09 0.00 0.00 0.00 173.10 175.76 2kkz s ARG 211 N 1.78 4.15 0.32 2.90 1.70 -1.26 -5.06 118.95 123.47 2kkz s ARG 211 Ca 0.17 0.75 -0.29 0.00 -0.47 0.00 0.00 55.73 55.89 2kkz s ARG 211 Cb -0.15 -2.79 -0.11 0.00 -0.57 0.00 0.00 34.95 31.32 2kkz s ARG 211 CO 0.09 0.36 1.52 -2.14 -1.08 0.00 0.00 175.30 174.05 2kkz s PRO 212 N -2.19 4.15 -0.35 3.89 0.02 -1.26 -4.95 135.00 134.31 2kkz s PRO 212 Ca 0.44 2.53 -0.29 0.00 0.02 0.00 0.00 61.00 63.70 2kkz s PRO 212 Cb -0.15 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 2kkz s PRO 212 CO 0.20 -0.54 1.69 -2.14 -0.33 0.00 0.00 177.00 175.87 2kkz s PRO 213 N -1.20 3.43 -0.62 5.54 0.02 -1.26 -4.89 135.00 136.02 2kkz s PRO 213 Ca 0.58 1.31 -0.04 0.00 0.02 0.00 0.00 61.00 62.87 2kkz s PRO 213 Cb -0.46 -4.14 0.12 0.00 0.02 0.00 0.00 34.50 30.04 2kkz s PRO 213 CO 0.54 -1.75 2.60 1.28 -0.33 0.00 0.00 177.00 179.34 2kkz n LEU 214 N 9.78 6.81 -4.79 -5.54 4.77 -1.26 -4.99 117.00 121.79 2kkz n LEU 214 Ca 0.21 -4.30 -0.37 0.00 -0.03 0.00 0.00 56.01 51.52 2kkz n LEU 214 Cb 0.47 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 2kkz n LEU 214 CO 0.69 1.78 0.56 0.42 -1.33 0.00 0.00 177.39 179.50 2kkz s THR 215 N -2.65 4.35 0.19 -5.08 -4.23 -1.26 -5.08 115.64 101.87 2kkz s THR 215 Ca 0.57 1.62 0.07 0.00 -1.18 0.00 0.00 61.69 62.78 2kkz s THR 215 Cb 0.37 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 2kkz s THR 215 CO -0.24 0.18 -0.15 -1.48 -0.54 0.00 0.00 174.62 172.39 2kkz s LEU 216 N -1.99 2.52 0.00 4.79 0.05 -1.26 -5.31 118.68 117.48 2kkz s LEU 216 Ca 0.47 -0.98 0.05 0.00 0.05 0.00 0.00 54.13 53.73 2kkz s LEU 216 Cb -0.18 -0.66 0.04 0.00 -2.05 0.00 0.00 46.19 43.34 2kkz s LEU 216 CO 0.23 -0.16 0.67 -0.62 -0.55 0.00 0.00 176.35 175.92