#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz n PRO 85 N 0.00 0.09 -2.07 3.17 -0.02 -1.26 -4.87 135.00 130.03 2kkz n PRO 85 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 2kkz n PRO 85 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 2kkz n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkz n ALA 86 N -3.00 1.85 -3.07 3.55 0.00 -1.26 -4.89 120.51 113.69 2kkz n ALA 86 Ca 0.00 -3.03 -0.45 0.00 0.00 0.00 0.00 53.44 49.96 2kkz n ALA 86 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 15.95 2kkz n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kkz s SER 87 N 6.43 6.70 0.06 0.00 1.04 -1.26 -4.43 113.70 122.23 2kkz s SER 87 Ca 0.68 -2.31 0.09 0.00 0.48 0.00 0.00 55.95 54.89 2kkz s SER 87 Cb -0.01 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 2kkz s SER 87 CO 0.14 -0.88 -0.24 -0.60 0.98 0.00 0.00 173.24 172.64 2kkz s ARG 88 N 1.75 1.80 -0.44 4.02 3.52 -1.23 -4.89 118.95 123.47 2kkz s ARG 88 Ca 0.28 -1.12 -0.18 0.00 -0.13 0.00 0.00 55.73 54.58 2kkz s ARG 88 Cb -0.07 -2.02 0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2kkz s ARG 88 CO -0.09 0.51 0.48 0.71 -0.81 0.00 0.00 175.30 176.09 2kkz s TYR 89 N -0.89 3.15 -0.30 5.12 1.51 -1.26 -0.42 117.35 124.26 2kkz s TYR 89 Ca 0.13 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.48 2kkz s TYR 89 Cb -0.10 -3.04 0.01 0.00 -0.11 0.00 0.00 41.96 38.72 2kkz s TYR 89 CO 0.04 -0.77 1.16 0.42 -1.11 0.00 0.00 175.55 175.29 2kkz s ILE 90 N 2.21 4.38 -1.12 2.71 -1.09 0.73 -4.95 121.20 124.08 2kkz s ILE 90 Ca 0.13 1.59 -0.06 0.00 -2.23 0.00 0.00 60.65 60.08 2kkz s ILE 90 Cb -0.18 -4.30 0.28 0.00 -1.58 0.00 0.00 42.46 36.69 2kkz s ILE 90 CO 0.13 -0.44 1.44 0.35 -1.23 0.00 0.00 174.94 175.19 2kkz n THR 91 N 5.91 5.00 0.12 2.92 -2.24 -1.26 -2.07 114.28 122.66 2kkz n THR 91 Ca 0.13 -5.58 -0.03 0.00 -2.27 0.00 0.00 64.05 56.30 2kkz n THR 91 Cb 0.47 -2.25 0.14 0.00 -2.10 0.00 0.00 70.33 66.58 2kkz n THR 91 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kkz h ASP 92 N 5.84 0.07 -2.95 3.42 3.58 -1.93 -3.42 116.42 121.03 2kkz h ASP 92 Ca 0.22 -0.05 -0.59 0.00 0.42 0.00 0.00 57.03 57.04 2kkz h ASP 92 Cb 0.69 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 2kkz h ASP 92 CO 1.29 0.70 -0.41 -0.04 -2.88 0.00 0.00 179.24 177.89 2kkz s MET 93 N -3.58 3.51 0.74 0.28 -1.94 -1.26 -4.88 119.30 112.17 2kkz s MET 93 Ca -0.02 -0.33 -0.12 0.00 -1.71 0.00 0.00 55.69 53.52 2kkz s MET 93 Cb 0.12 -2.94 0.04 0.00 2.01 0.00 0.00 34.83 34.06 2kkz s MET 93 CO 0.78 0.53 1.09 0.95 -0.01 0.00 0.00 175.02 178.36 2kkz s THR 94 N -1.63 3.33 0.48 2.05 -4.23 -1.26 -4.86 115.64 109.52 2kkz s THR 94 Ca 0.37 0.47 0.14 0.00 -1.18 0.00 0.00 61.69 61.50 2kkz s THR 94 Cb -0.12 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.03 2kkz s THR 94 CO 0.27 -0.52 2.10 0.40 -0.54 0.00 0.00 174.62 176.33 2kkz h ILE 95 N -0.85 1.00 0.44 2.99 2.04 -1.98 -0.61 117.51 120.53 2kkz h ILE 95 Ca -0.44 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2kkz h ILE 95 Cb 1.23 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2kkz h ILE 95 CO 0.52 0.03 -0.31 -0.33 0.00 0.00 0.00 178.15 178.06 2kkz h GLU 96 N 0.18 -0.71 -0.80 2.37 5.08 -1.94 -1.75 114.58 117.02 2kkz h GLU 96 Ca 0.09 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2kkz h GLU 96 Cb 0.12 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2kkz h GLU 96 CO -0.02 -0.47 0.44 0.93 -1.00 0.00 0.00 179.01 178.89 2kkz h GLU 97 N -0.73 1.11 -0.68 2.33 4.39 -1.76 0.52 114.58 119.75 2kkz h GLU 97 Ca -0.04 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 2kkz h GLU 97 Cb 0.62 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2kkz h GLU 97 CO 0.02 0.81 0.20 1.25 -1.16 0.00 0.00 179.01 180.13 2kkz h LEU 98 N 1.11 0.98 -3.33 1.33 6.46 -1.07 -2.90 115.31 117.90 2kkz h LEU 98 Ca 0.28 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2kkz h LEU 98 Cb 0.02 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 2kkz h LEU 98 CO -0.05 0.92 0.01 -0.24 -0.62 0.00 0.00 178.44 178.46 2kkz n SER 99 N -4.26 4.21 -4.77 1.25 2.88 -0.67 -5.03 113.62 107.23 2kkz n SER 99 Ca 0.05 -3.03 -0.38 0.00 -1.33 0.00 0.00 58.87 54.18 2kkz n SER 99 Cb 0.23 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.05 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 -2.84 4.61 0.15 -1.46 3.52 0.14 -5.00 118.95 118.06 2kkz s ARG 100 Ca 0.45 1.49 -0.27 0.00 -0.13 0.00 0.00 55.73 57.27 2kkz s ARG 100 Cb 0.36 -2.97 -0.07 0.00 -1.56 0.00 0.00 34.95 30.71 2kkz s ARG 100 CO 0.10 0.28 0.84 -0.51 -0.81 0.00 0.00 175.30 175.19 2kkz s ASP 101 N -1.35 7.43 0.15 -2.12 1.11 -1.26 -5.04 116.67 115.58 2kkz s ASP 101 Ca 0.48 1.69 -0.20 0.00 0.18 0.00 0.00 52.55 54.70 2kkz s ASP 101 Cb -0.24 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.28 2kkz s ASP 101 CO 0.30 0.12 0.52 -1.66 1.18 0.00 0.00 175.17 175.62 2kkz s TRP 102 N -0.75 -0.39 0.26 4.23 1.48 -1.26 -4.97 118.94 117.54 2kkz s TRP 102 Ca 0.39 0.13 0.09 0.00 -1.06 0.00 0.00 56.10 55.65 2kkz s TRP 102 Cb -0.23 0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 32.47 2kkz s TRP 102 CO 0.27 -0.80 0.05 -0.59 -4.06 0.00 0.00 176.95 171.83 2kkz s PHE 103 N -3.78 2.82 -0.46 1.66 -0.71 -1.26 -5.11 117.98 111.14 2kkz s PHE 103 Ca 0.02 -0.19 0.04 0.00 -1.04 0.00 0.00 56.93 55.76 2kkz s PHE 103 Cb 0.00 -1.26 0.12 0.00 -1.21 0.00 0.00 43.02 40.67 2kkz s PHE 103 CO -0.12 0.59 0.20 -1.64 -1.34 0.00 0.00 175.22 172.90 2kkz s MET 104 N -3.67 1.78 0.06 1.99 -1.94 -1.26 -4.86 119.30 111.41 2kkz s MET 104 Ca 0.32 -2.36 -0.17 0.00 -1.71 0.00 0.00 55.69 51.77 2kkz s MET 104 Cb -0.07 -3.22 -0.14 0.00 2.01 0.00 0.00 34.83 33.41 2kkz s MET 104 CO 0.21 -1.06 1.31 1.25 -0.01 0.00 0.00 175.02 176.72 2kkz h LEU 105 N 6.85 0.65 -6.79 -0.03 5.85 -1.99 -3.38 115.31 116.48 2kkz h LEU 105 Ca -0.07 -0.57 -0.61 0.00 0.84 0.00 0.00 57.88 57.48 2kkz h LEU 105 Cb 0.93 -0.19 -0.40 0.00 0.37 0.00 0.00 40.66 41.37 2kkz h LEU 105 CO 0.63 1.10 -0.75 -0.04 -0.34 0.00 0.00 178.44 179.04 2kkz s MET 106 N -3.98 1.69 0.42 1.25 -1.94 -1.26 -4.98 119.30 110.51 2kkz s MET 106 Ca -0.13 -2.68 -0.24 0.00 -1.71 0.00 0.00 55.69 50.93 2kkz s MET 106 Cb 0.07 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.34 2kkz s MET 106 CO 0.82 -1.31 1.13 -1.25 -0.01 0.00 0.00 175.02 174.40 2kkz s PRO 107 N -0.62 3.98 -0.14 2.03 0.04 -1.26 -1.01 135.00 138.02 2kkz s PRO 107 Ca 0.27 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2kkz s PRO 107 Cb -0.04 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 31.99 2kkz s PRO 107 CO -0.16 -0.35 -0.14 0.21 0.04 0.00 0.00 177.00 176.61 2kkz s LYS 108 N -2.51 2.24 -0.62 4.56 2.20 -0.50 -4.90 119.74 120.22 2kkz s LYS 108 Ca 0.60 -0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 2kkz s LYS 108 Cb -0.27 -2.04 0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2kkz s LYS 108 CO 0.33 -0.21 1.20 -1.14 -0.36 0.00 0.00 175.35 175.18 2kkz s GLN 109 N 1.42 3.43 -0.02 4.03 -0.44 -1.26 -3.91 119.66 122.90 2kkz s GLN 109 Ca 0.03 0.10 0.02 0.00 -2.50 0.00 0.00 55.36 53.02 2kkz s GLN 109 Cb -0.13 -4.06 0.00 0.00 -1.64 0.00 0.00 33.01 27.19 2kkz s GLN 109 CO -0.09 -1.78 -0.08 0.21 0.50 0.00 0.00 175.29 174.04 2kkz s LYS 110 N 5.09 0.90 0.02 1.67 2.47 -1.21 -5.10 119.74 123.57 2kkz s LYS 110 Ca 0.40 -0.28 0.06 0.00 -1.56 0.00 0.00 55.97 54.60 2kkz s LYS 110 Cb -0.08 -0.85 -0.02 0.00 -1.46 0.00 0.00 37.83 35.42 2kkz s LYS 110 CO 0.23 0.10 -0.19 0.08 0.16 0.00 0.00 175.35 175.72 2kkz s VAL 111 N 0.21 1.55 -0.47 4.02 1.01 -1.26 -0.96 120.40 124.49 2kkz s VAL 111 Ca -0.03 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2kkz s VAL 111 Cb -0.08 -1.32 0.13 0.00 0.00 0.00 0.00 36.38 35.10 2kkz s VAL 111 CO 0.00 0.29 0.22 -0.70 0.00 0.00 0.00 175.10 174.91 2kkz s GLU 112 N -0.85 1.66 6.55 2.72 2.56 -0.18 -4.89 118.70 126.27 2kkz s GLU 112 Ca 0.07 -2.29 0.00 0.00 0.00 0.00 0.00 54.97 52.75 2kkz s GLU 112 Cb -0.08 -2.96 0.00 0.00 2.00 0.00 0.00 34.13 33.09 2kkz s GLU 112 CO 0.01 -1.10 0.00 0.41 -0.56 0.00 0.00 175.26 174.02 2kkz n GLY 113 N 3.44 2.09 0.77 -1.50 0.00 -1.26 -2.09 105.19 106.64 2kkz n GLY 113 Ca 0.06 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 3.74 1.98 -3.87 1.61 -0.04 -1.26 -4.86 135.00 132.30 2kkz n PRO 114 Ca 0.00 -1.51 -0.27 0.00 -0.04 0.00 0.00 63.50 61.68 2kkz n PRO 114 Cb 0.00 -1.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.16 1.35 -0.09 1.53 1.43 -0.89 -1.30 118.68 119.55 2kkz s LEU 115 Ca 0.31 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2kkz s LEU 115 Cb 0.16 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 2kkz s LEU 115 CO 0.22 -0.18 0.85 0.00 0.23 0.00 0.00 176.35 177.47 2kkz s ILE 117 N 1.47 4.19 -0.18 0.00 -1.09 -0.14 -2.21 121.20 123.24 2kkz s ILE 117 Ca 0.43 -1.00 -0.17 0.00 -2.23 0.00 0.00 60.65 57.68 2kkz s ILE 117 Cb -0.18 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2kkz s ILE 117 CO 0.19 -0.21 0.46 -0.13 -1.23 0.00 0.00 174.94 174.01 2kkz s ARG 118 N 1.48 4.22 -0.08 2.79 0.52 -0.20 -3.35 118.95 124.32 2kkz s ARG 118 Ca 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 2kkz s ARG 118 Cb -0.19 -3.52 0.02 0.00 0.52 0.00 0.00 34.95 31.78 2kkz s ARG 118 CO 0.05 -0.04 -0.06 0.42 0.02 0.00 0.00 175.30 175.69 2kkz s ILE 119 N 1.29 0.78 -0.27 1.52 1.01 -1.25 -2.38 121.20 121.90 2kkz s ILE 119 Ca 0.22 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2kkz s ILE 119 Cb -0.15 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 2kkz s ILE 119 CO 0.09 0.31 0.21 -0.62 0.00 0.00 0.00 174.94 174.93 2kkz s ASP 120 N 1.43 6.06 0.16 3.58 2.15 -0.35 -1.41 116.67 128.29 2kkz s ASP 120 Ca -0.02 0.04 0.25 0.00 0.43 0.00 0.00 52.55 53.26 2kkz s ASP 120 Cb -0.13 -2.13 0.52 0.00 -0.30 0.00 0.00 42.92 40.88 2kkz s ASP 120 CO -0.04 -0.05 1.50 0.00 -0.17 0.00 0.00 175.17 176.42 2kkz n GLN 121 N 4.97 0.29 -0.10 4.34 6.02 -0.18 -3.96 117.38 128.77 2kkz n GLN 121 Ca -0.13 0.14 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 2kkz n GLN 121 Cb 0.52 -1.74 0.05 0.00 1.02 0.00 0.00 30.24 30.08 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 2.50 0.76 -2.10 -1.58 0.00 -1.94 -3.41 119.26 113.50 2kkz h ALA 122 Ca 0.00 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 2kkz h ALA 122 Cb 0.75 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 2kkz h ALA 122 CO 0.00 0.66 0.42 0.42 0.00 0.00 0.00 179.25 180.74 2kkz s ILE 123 N -4.52 4.67 0.17 0.00 1.09 -1.25 -5.04 121.20 116.31 2kkz s ILE 123 Ca -0.10 0.78 0.06 0.00 -1.10 0.00 0.00 60.65 60.29 2kkz s ILE 123 Cb 0.12 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2kkz s ILE 123 CO 0.85 -0.56 -0.12 -0.04 -0.10 0.00 0.00 174.94 174.97 2kkz s MET 124 N 3.26 1.17 -0.09 2.79 -1.94 -1.26 -4.87 119.30 118.36 2kkz s MET 124 Ca 0.32 -1.49 0.00 0.00 -1.71 0.00 0.00 55.69 52.81 2kkz s MET 124 Cb -0.12 -0.86 0.00 0.00 2.01 0.00 0.00 34.83 35.85 2kkz s MET 124 CO 0.20 0.13 0.00 -3.47 -0.01 0.00 0.00 175.02 171.87 2kkz n ASP 125 N -0.21 -3.55 -4.93 3.03 2.03 -1.03 -5.00 116.55 106.90 2kkz n ASP 125 Ca -0.10 0.02 -0.29 0.00 0.52 0.00 0.00 54.79 54.94 2kkz n ASP 125 Cb 0.60 -1.12 -0.04 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.80 3.45 -0.40 -0.67 -0.14 -1.26 -4.91 119.74 115.01 2kkz s LYS 126 Ca 0.00 -0.49 -0.21 0.00 -1.36 0.00 0.00 55.97 53.91 2kkz s LYS 126 Cb 0.00 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.16 2kkz s LYS 126 CO 0.00 0.57 0.68 -0.80 -0.76 0.00 0.00 175.35 175.04 2kkz s ASN 127 N -2.80 6.40 -0.09 2.83 0.01 -1.26 -1.03 114.94 119.00 2kkz s ASN 127 Ca 0.35 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.47 2kkz s ASN 127 Cb -0.12 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 2kkz s ASN 127 CO 0.28 -0.73 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.37 2kkz s ILE 128 N 2.90 3.07 -0.25 0.60 1.01 -0.43 -2.03 121.20 126.07 2kkz s ILE 128 Ca 0.25 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2kkz s ILE 128 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2kkz s ILE 128 CO 0.18 0.56 0.13 -0.32 0.00 0.00 0.00 174.94 175.48 2kkz s MET 129 N -0.22 3.85 -0.50 2.79 -2.45 -0.11 -3.03 119.30 119.63 2kkz s MET 129 Ca 0.01 -0.38 -0.18 0.00 -1.25 0.00 0.00 55.69 53.89 2kkz s MET 129 Cb -0.13 -3.47 0.07 0.00 1.25 0.00 0.00 34.83 32.55 2kkz s MET 129 CO 0.03 -0.11 0.56 -0.51 1.05 0.00 0.00 175.02 176.04 2kkz s LEU 130 N 1.47 5.25 0.09 4.11 2.01 -0.60 -2.32 118.68 128.70 2kkz s LEU 130 Ca 0.06 -1.11 0.08 0.00 0.01 0.00 0.00 54.13 53.17 2kkz s LEU 130 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 46.19 43.67 2kkz s LEU 130 CO 0.06 -0.83 -0.20 -0.54 1.01 0.00 0.00 176.35 175.85 2kkz s LYS 131 N 2.29 1.12 0.02 1.70 1.02 -0.63 -0.65 119.74 124.61 2kkz s LYS 131 Ca 0.11 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 2kkz s LYS 131 Cb -0.22 -1.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2kkz s LYS 131 CO 0.09 0.32 0.29 0.00 -0.92 0.00 0.00 175.35 175.13 2kkz s ALA 132 N -1.13 -0.68 -0.20 5.17 0.00 -1.26 -0.94 121.76 122.72 2kkz s ALA 132 Ca 0.06 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 2kkz s ALA 132 Cb -0.10 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2kkz s ALA 132 CO 0.04 -0.35 0.09 -0.80 0.00 0.00 0.00 175.76 174.74 2kkz s ASN 133 N -1.78 5.75 0.06 0.00 -0.87 -0.19 -3.82 114.94 114.09 2kkz s ASN 133 Ca -0.08 0.09 -0.20 0.00 -1.57 0.00 0.00 52.86 51.09 2kkz s ASN 133 Cb -0.03 -2.00 0.04 0.00 -0.02 0.00 0.00 41.25 39.25 2kkz s ASN 133 CO -0.00 0.14 0.47 0.72 -2.57 0.00 0.00 177.10 175.86 2kkz s PHE 134 N 0.57 -0.34 0.66 2.20 -0.71 -0.88 -1.46 117.98 118.01 2kkz s PHE 134 Ca 0.05 0.31 -0.05 0.00 -1.04 0.00 0.00 56.93 56.20 2kkz s PHE 134 Cb -0.13 0.29 0.05 0.00 -1.21 0.00 0.00 43.02 42.03 2kkz s PHE 134 CO 0.01 -0.63 0.94 -1.54 -1.34 0.00 0.00 175.22 172.66 2kkz s SER 135 N -2.09 4.99 -0.02 1.98 1.04 -0.28 -0.19 113.70 119.12 2kkz s SER 135 Ca -0.04 0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.77 2kkz s SER 135 Cb -0.00 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.02 2kkz s SER 135 CO -0.03 -1.44 -0.09 -0.69 0.98 0.00 0.00 173.24 171.96 2kkz s VAL 136 N -3.10 0.79 -0.08 5.02 1.01 0.44 -0.98 120.40 123.49 2kkz s VAL 136 Ca 0.59 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2kkz s VAL 136 Cb -0.11 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2kkz s VAL 136 CO 0.43 0.24 0.22 -0.51 0.00 0.00 0.00 175.10 175.49 2kkz s ILE 137 N 0.14 -0.00 -1.58 2.22 1.10 -0.65 -3.50 121.20 118.92 2kkz s ILE 137 Ca -0.02 0.01 -0.03 0.00 -0.51 0.00 0.00 60.65 60.10 2kkz s ILE 137 Cb -0.08 -0.32 0.00 0.00 0.15 0.00 0.00 42.46 42.22 2kkz s ILE 137 CO 0.00 0.00 0.35 0.49 -2.11 0.00 0.00 174.94 173.68 2kkz n PHE 138 N 3.01 -1.52 -1.38 3.50 3.72 -1.26 -2.00 117.46 121.53 2kkz n PHE 138 Ca -0.13 0.30 -0.13 0.00 -0.05 0.00 0.00 57.45 57.44 2kkz n PHE 138 Cb 0.58 -4.17 -0.06 0.00 -0.94 0.00 0.00 39.48 34.90 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 -2.13 -4.85 -4.21 4.37 2.03 -1.26 -4.89 116.55 105.61 2kkz n ASP 139 Ca -0.16 0.32 -0.20 0.00 0.52 0.00 0.00 54.79 55.27 2kkz n ASP 139 Cb 0.64 -3.49 -0.10 0.00 -0.72 0.00 0.00 41.12 37.46 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 -3.02 1.62 0.10 -0.67 1.70 -0.85 -4.72 118.95 113.12 2kkz s ARG 140 Ca 0.00 -1.92 -0.31 0.00 -0.47 0.00 0.00 55.73 53.03 2kkz s ARG 140 Cb 0.00 -0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 33.87 2kkz s ARG 140 CO 0.00 -0.35 1.62 -1.17 -1.08 0.00 0.00 175.30 174.32 2kkz s LEU 141 N -3.43 4.37 0.00 -1.89 0.20 -1.08 -1.64 118.68 115.21 2kkz s LEU 141 Ca 0.34 2.53 0.00 0.00 0.69 0.00 0.00 54.13 57.69 2kkz s LEU 141 Cb 0.06 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 2kkz s LEU 141 CO 0.15 -0.86 0.00 1.21 -0.29 0.00 0.00 176.35 176.56 2kkz n GLU 142 N 5.04 0.00 -4.88 1.98 2.13 -0.15 -4.42 120.64 120.34 2kkz n GLU 142 Ca 0.15 0.06 -0.26 0.00 0.66 0.00 0.00 57.16 57.77 2kkz n GLU 142 Cb 0.40 -0.39 -0.16 0.00 0.27 0.00 0.00 31.44 31.57 2kkz n GLU 142 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2kkz s THR 143 N -0.22 1.47 -0.10 6.31 2.01 -1.25 -3.48 115.64 120.38 2kkz s THR 143 Ca 0.00 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 2kkz s THR 143 Cb 0.00 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 2kkz s THR 143 CO 0.00 0.42 0.87 -0.22 -0.69 0.00 0.00 174.62 175.00 2kkz s LEU 144 N -0.20 4.26 -0.17 4.42 2.96 -1.26 -1.13 118.68 127.55 2kkz s LEU 144 Ca 0.02 1.36 -0.21 0.00 -0.22 0.00 0.00 54.13 55.07 2kkz s LEU 144 Cb -0.09 -3.34 -0.18 0.00 0.50 0.00 0.00 46.19 43.07 2kkz s LEU 144 CO 0.01 -0.32 0.32 0.40 -1.32 0.00 0.00 176.35 175.43 2kkz h ILE 145 N 5.00 1.01 -1.79 6.68 5.03 -1.62 -3.45 117.51 128.38 2kkz h ILE 145 Ca -0.34 -2.03 0.01 0.00 -0.12 0.00 0.00 64.86 62.38 2kkz h ILE 145 Cb 1.17 2.18 -0.22 0.00 -3.03 0.00 0.00 36.82 36.92 2kkz h ILE 145 CO 0.81 0.34 0.34 -0.22 -0.68 0.00 0.00 178.15 178.74 2kkz s LEU 146 N -8.05 -0.55 0.16 1.44 2.96 -1.01 -4.55 118.68 109.07 2kkz s LEU 146 Ca -0.23 0.76 0.08 0.00 -0.22 0.00 0.00 54.13 54.52 2kkz s LEU 146 Cb 0.03 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.87 2kkz s LEU 146 CO 0.54 -0.39 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.78 2kkz s LEU 147 N -0.68 2.42 -0.14 -0.68 0.20 -0.34 -1.02 118.68 118.45 2kkz s LEU 147 Ca -0.04 -0.84 -0.12 0.00 0.69 0.00 0.00 54.13 53.82 2kkz s LEU 147 Cb -0.02 -0.80 0.04 0.00 -0.43 0.00 0.00 46.19 44.98 2kkz s LEU 147 CO 0.03 -0.04 0.37 -0.60 -0.29 0.00 0.00 176.35 175.82 2kkz s ARG 148 N -2.72 0.42 -0.24 1.98 3.52 -0.11 -1.55 118.95 120.25 2kkz s ARG 148 Ca 0.14 0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2kkz s ARG 148 Cb -0.06 0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2kkz s ARG 148 CO 0.06 -0.06 -0.07 0.00 -0.81 0.00 0.00 175.30 174.41 2kkz s ALA 149 N 0.34 2.67 0.02 6.12 0.00 -0.46 -1.61 121.76 128.85 2kkz s ALA 149 Ca -0.01 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2kkz s ALA 149 Cb -0.03 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2kkz s ALA 149 CO -0.01 -0.78 -0.07 -0.59 0.00 0.00 0.00 175.76 174.32 2kkz s PHE 150 N 1.32 0.58 1.17 0.00 -0.71 -0.98 -1.35 117.98 118.00 2kkz s PHE 150 Ca 0.00 -0.33 -0.18 0.00 -1.04 0.00 0.00 56.93 55.38 2kkz s PHE 150 Cb -0.16 -0.36 0.27 0.00 -1.21 0.00 0.00 43.02 41.56 2kkz s PHE 150 CO -0.05 -0.05 1.10 0.95 -1.34 0.00 0.00 175.22 175.82 2kkz s THR 151 N -0.87 1.69 0.47 -4.49 -4.23 -0.67 -0.94 115.64 106.60 2kkz s THR 151 Ca -0.05 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.65 2kkz s THR 151 Cb -0.07 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.68 2kkz s THR 151 CO 0.00 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.71 2kkz h GLU 152 N -2.47 0.23 0.00 3.99 4.39 -1.77 -0.56 114.58 118.40 2kkz h GLU 152 Ca -0.48 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.10 2kkz h GLU 152 Cb 1.31 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2kkz h GLU 152 CO 0.40 0.15 -0.51 0.93 -1.16 0.00 0.00 179.01 178.82 2kkz h GLU 153 N 0.24 0.00 0.00 2.33 5.08 -1.91 -3.47 114.58 116.85 2kkz h GLU 153 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2kkz h GLU 153 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2kkz h GLU 153 CO -0.06 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.86 2kkz n GLY 154 N 0.05 0.93 3.57 -3.84 0.00 -0.22 -5.06 105.19 100.63 2kkz n GLY 154 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 2.65 -0.12 4.61 0.00 -1.26 -4.68 121.76 120.96 2kkz s ALA 155 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 2kkz s ALA 155 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 23.12 18.96 2kkz s ALA 155 CO 0.00 -3.13 1.20 0.42 0.00 0.00 0.00 175.76 174.25 2kkz s ILE 156 N 6.99 4.32 0.00 0.00 1.01 -1.26 -1.67 121.20 130.59 2kkz s ILE 156 Ca 0.61 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.88 2kkz s ILE 156 Cb -0.13 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2kkz s ILE 156 CO 0.25 -0.07 0.71 1.33 0.00 0.00 0.00 174.94 177.16 2kkz n VAL 157 N 4.97 0.44 -3.43 2.92 0.24 -0.46 -4.57 118.33 118.45 2kkz n VAL 157 Ca 0.12 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.85 2kkz n VAL 157 Cb 0.46 0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.44 -0.61 -0.11 7.63 0.00 -0.79 -1.21 107.32 111.78 2kkz s GLY 158 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 2kkz s GLY 158 CO 0.00 0.21 0.88 1.85 0.00 0.00 0.00 173.10 176.04 2kkz s GLU 159 N -3.56 0.77 -0.24 2.90 2.12 -1.00 -1.35 118.70 118.34 2kkz s GLU 159 Ca 0.00 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.45 2kkz s GLU 159 Cb -0.01 0.36 0.07 0.00 0.26 0.00 0.00 34.13 34.82 2kkz s GLU 159 CO -0.11 -0.25 0.03 0.42 -0.54 0.00 0.00 175.26 174.81 2kkz s ILE 160 N -1.35 0.90 -0.24 -3.70 1.01 -0.59 -1.04 121.20 116.19 2kkz s ILE 160 Ca -0.04 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.55 2kkz s ILE 160 Cb -0.00 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2kkz s ILE 160 CO 0.03 -0.33 0.02 -0.94 0.00 0.00 0.00 174.94 173.72 2kkz s SER 161 N 1.66 4.76 0.25 3.58 1.04 -0.94 -1.20 113.70 122.84 2kkz s SER 161 Ca 0.01 -0.38 -0.31 0.00 0.48 0.00 0.00 55.95 55.75 2kkz s SER 161 Cb -0.18 -1.83 -0.13 0.00 0.10 0.00 0.00 66.02 63.98 2kkz s SER 161 CO -0.13 -0.06 1.44 -0.81 0.98 0.00 0.00 173.24 174.66 2kkz n PRO 162 N 4.85 2.13 -2.38 4.02 -0.04 -1.26 -1.39 135.00 140.93 2kkz n PRO 162 Ca -0.17 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 2kkz n PRO 162 Cb 0.50 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 2kkz n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 163 N 0.02 4.33 0.55 1.53 1.43 -0.42 -4.91 118.68 121.21 2kkz s LEU 163 Ca 0.68 1.99 0.21 0.00 -1.03 0.00 0.00 54.13 55.98 2kkz s LEU 163 Cb -0.63 -3.57 1.48 0.00 0.03 0.00 0.00 46.19 43.51 2kkz s LEU 163 CO 0.49 -0.56 2.19 -0.65 0.23 0.00 0.00 176.35 178.05 2kkz h PRO 164 N 7.20 0.00 0.00 1.29 0.11 -1.93 -0.59 132.00 138.08 2kkz h PRO 164 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2kkz h PRO 164 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kkz h PRO 164 CO 0.85 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.08 2kkz n SER 165 N -4.27 0.11 -3.69 -2.05 7.64 -1.26 -3.99 113.62 106.11 2kkz n SER 165 Ca -0.03 0.52 -0.27 0.00 1.01 0.00 0.00 58.87 60.10 2kkz n SER 165 Cb 0.09 -0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 62.63 2kkz n SER 165 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2kkz n PHE 166 N -1.62 2.74 1.99 1.43 3.01 -0.23 -4.94 117.46 119.84 2kkz n PHE 166 Ca 0.04 -4.13 0.14 0.00 1.01 0.00 0.00 57.45 54.50 2kkz n PHE 166 Cb 0.20 -0.50 0.81 0.00 -0.01 0.00 0.00 39.48 39.98 2kkz n PHE 166 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2kkz n PRO 167 N 1.75 1.01 -3.85 -1.08 -0.04 -1.26 -4.43 135.00 127.10 2kkz n PRO 167 Ca 0.24 -0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 2kkz n PRO 167 Cb 0.39 -1.43 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 2kkz n PRO 167 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kkz s GLY 168 N -1.85 2.59 -0.08 0.55 0.00 -1.26 -5.06 107.32 102.21 2kkz s GLY 168 Ca 0.41 -3.51 0.05 0.00 0.00 0.00 0.00 44.72 41.67 2kkz s GLY 168 CO 0.32 1.19 -0.24 -2.38 0.00 0.00 0.00 173.10 171.98 2kkz s HIS 169 N -0.94 2.47 0.82 1.90 -3.43 -1.26 -5.05 115.29 109.79 2kkz s HIS 169 Ca 0.23 -0.87 -0.11 0.00 -0.80 0.00 0.00 55.06 53.51 2kkz s HIS 169 Cb -0.10 -1.64 0.12 0.00 -1.43 0.00 0.00 32.58 29.53 2kkz s HIS 169 CO -0.12 -0.31 1.16 0.95 -2.00 0.00 0.00 174.74 174.42 2kkz s THR 170 N 0.09 2.08 0.29 -5.38 -4.23 -1.26 -4.78 115.64 102.45 2kkz s THR 170 Ca -0.11 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.31 2kkz s THR 170 Cb -0.16 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.00 2kkz s THR 170 CO 0.06 0.00 1.77 -0.29 -0.54 0.00 0.00 174.62 175.63 2kkz h ILE 171 N -1.07 0.72 -0.45 2.99 2.10 -1.77 -2.72 117.51 117.32 2kkz h ILE 171 Ca -0.44 -0.25 -0.07 0.00 1.08 0.00 0.00 64.86 65.18 2kkz h ILE 171 Cb 1.29 -0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 36.93 2kkz h ILE 171 CO 0.54 0.13 -0.01 -0.33 -1.08 0.00 0.00 178.15 177.40 2kkz h GLU 172 N 0.73 0.74 -0.66 2.19 5.08 -1.92 -1.10 114.58 119.64 2kkz h GLU 172 Ca 0.54 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2kkz h GLU 172 Cb 0.80 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2kkz h GLU 172 CO -0.37 0.76 0.30 -0.44 -1.00 0.00 0.00 179.01 178.26 2kkz h ASP 173 N 0.69 0.89 -0.65 1.42 3.32 -1.86 -2.75 116.42 117.48 2kkz h ASP 173 Ca 0.14 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2kkz h ASP 173 Cb 0.44 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2kkz h ASP 173 CO 0.02 0.79 0.27 0.58 -1.72 0.00 0.00 179.24 179.17 2kkz h VAL 174 N 0.92 1.24 -0.77 -1.35 2.07 -1.24 -1.90 116.25 115.22 2kkz h VAL 174 Ca 0.22 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2kkz h VAL 174 Cb 0.16 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2kkz h VAL 174 CO -0.02 0.29 0.47 0.11 0.02 0.00 0.00 177.57 178.44 2kkz h LYS 175 N 0.92 0.85 -0.16 1.57 1.57 -1.01 -0.58 116.57 119.74 2kkz h LYS 175 Ca 0.22 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2kkz h LYS 175 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2kkz h LYS 175 CO -0.02 0.56 0.00 -0.91 -0.57 0.00 0.00 179.45 178.52 2kkz h ASN 176 N 0.88 0.27 -0.80 0.86 2.35 -1.32 -3.04 115.58 114.78 2kkz h ASN 176 Ca 0.33 -0.31 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2kkz h ASN 176 Cb 0.12 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 2kkz h ASN 176 CO -0.15 0.51 0.50 0.00 -1.65 0.00 0.00 177.43 176.64 2kkz h ALA 177 N 0.77 1.05 -0.82 -0.83 0.00 -0.65 -0.71 119.26 118.07 2kkz h ALA 177 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kkz h ALA 177 Cb 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kkz h ALA 177 CO 0.01 0.31 0.50 0.82 0.00 0.00 0.00 179.25 180.89 2kkz h ILE 178 N 0.97 1.23 0.00 0.00 2.04 -1.18 -2.32 117.51 118.25 2kkz h ILE 178 Ca 0.32 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 2kkz h ILE 178 Cb 0.04 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 2kkz h ILE 178 CO -0.12 0.24 -0.27 1.23 0.00 0.00 0.00 178.15 179.22 2kkz h GLY 179 N 1.13 0.00 0.37 5.37 0.00 -1.06 -0.61 103.07 108.26 2kkz h GLY 179 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2kkz h GLY 179 CO -0.06 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.40 2kkz h VAL 180 N 0.00 1.49 -0.41 4.60 2.07 -0.75 -0.77 116.25 122.48 2kkz h VAL 180 Ca -0.00 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.06 2kkz h VAL 180 Cb 0.61 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2kkz h VAL 180 CO 0.03 0.38 0.26 0.25 0.02 0.00 0.00 177.57 178.51 2kkz h LEU 181 N -0.63 0.43 -0.23 2.57 5.85 -1.28 -2.19 115.31 119.82 2kkz h LEU 181 Ca -0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kkz h LEU 181 Cb 0.63 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2kkz h LEU 181 CO 0.00 0.31 0.02 0.40 -0.34 0.00 0.00 178.44 178.83 2kkz h ILE 182 N 0.52 0.86 -0.84 4.05 2.04 -1.19 -2.28 117.51 120.66 2kkz h ILE 182 Ca 0.16 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.08 2kkz h ILE 182 Cb -0.02 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 2kkz h ILE 182 CO -0.06 0.02 0.49 1.23 0.00 0.00 0.00 178.15 179.83 2kkz h GLY 183 N 0.10 1.31 1.59 5.37 0.00 -0.78 -1.12 103.07 109.54 2kkz h GLY 183 Ca 0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2kkz h GLY 183 CO -0.17 0.14 -0.56 -1.33 0.00 0.00 0.00 176.54 174.63 2kkz h GLY 184 N 0.82 0.47 1.04 4.60 0.00 -1.24 -2.70 103.07 106.06 2kkz h GLY 184 Ca 0.40 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2kkz h GLY 184 CO -0.24 0.49 0.22 1.41 0.00 0.00 0.00 176.54 178.42 2kkz h LEU 185 N 0.33 1.02 -1.20 3.11 3.38 -0.78 -2.38 115.31 118.79 2kkz h LEU 185 Ca 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2kkz h LEU 185 Cb 1.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2kkz h LEU 185 CO 0.10 0.96 0.09 -0.33 0.09 0.00 0.00 178.44 179.34 2kkz h GLU 186 N 1.03 0.64 -0.62 1.13 5.08 -1.12 -0.22 114.58 120.49 2kkz h GLU 186 Ca 0.23 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2kkz h GLU 186 Cb 0.30 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2kkz h GLU 186 CO -0.01 0.60 0.09 0.00 -1.00 0.00 0.00 179.01 178.70 2kkz h ARG 187 N 0.62 1.02 0.00 2.33 3.08 -1.24 -1.83 114.38 118.37 2kkz h ARG 187 Ca 0.14 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2kkz h ARG 187 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2kkz h ARG 187 CO -0.00 0.95 0.00 0.09 -1.07 0.00 0.00 179.97 179.94 2kkz n ASN 188 N -4.22 0.00 -2.70 7.04 4.13 -0.77 -4.88 115.26 113.86 2kkz n ASN 188 Ca 0.04 -0.14 -0.14 0.00 1.68 0.00 0.00 54.58 56.03 2kkz n ASN 188 Cb 0.29 -0.20 0.06 0.00 -1.54 0.00 0.00 39.78 38.39 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 -1.20 -3.14 -4.55 6.41 2.03 -0.69 -3.43 116.55 111.99 2kkz n ASP 189 Ca 0.09 -0.42 -0.34 0.00 0.52 0.00 0.00 54.79 54.65 2kkz n ASP 189 Cb 0.11 -3.73 -0.12 0.00 -0.72 0.00 0.00 41.12 36.66 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 -3.69 4.53 -0.38 1.67 0.01 -0.16 -2.46 114.94 114.46 2kkz s ASN 190 Ca 0.15 -0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.93 2kkz s ASN 190 Cb -0.07 -1.21 0.02 0.00 0.41 0.00 0.00 41.25 40.41 2kkz s ASN 190 CO 0.51 0.33 1.11 -0.89 -1.51 0.00 0.00 177.10 176.65 2kkz s THR 191 N -0.61 4.38 -0.00 1.60 2.01 -0.19 -3.93 115.64 118.89 2kkz s THR 191 Ca 0.09 1.53 -0.16 0.00 0.31 0.00 0.00 61.69 63.46 2kkz s THR 191 Cb -0.12 -4.47 -0.06 0.00 0.01 0.00 0.00 72.50 67.86 2kkz s THR 191 CO 0.02 -0.67 0.43 0.68 -0.69 0.00 0.00 174.62 174.39 2kkz s VAL 192 N 3.99 5.00 -0.05 3.82 -7.23 -1.26 -1.32 120.40 123.35 2kkz s VAL 192 Ca 0.47 0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 61.41 2kkz s VAL 192 Cb -0.10 -3.75 0.03 0.00 0.56 0.00 0.00 36.38 33.11 2kkz s VAL 192 CO 0.22 0.55 0.31 0.00 -0.31 0.00 0.00 175.10 175.87 2kkz s ARG 193 N -0.92 0.56 0.05 4.82 1.70 -1.17 -5.00 118.95 118.99 2kkz s ARG 193 Ca 0.25 0.03 0.04 0.00 -0.47 0.00 0.00 55.73 55.57 2kkz s ARG 193 Cb -0.17 0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 2kkz s ARG 193 CO 0.14 -0.13 -0.02 0.08 -1.08 0.00 0.00 175.30 174.29 2kkz s VAL 194 N -0.79 3.96 0.70 4.99 1.01 -1.26 -1.56 120.40 127.46 2kkz s VAL 194 Ca -0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2kkz s VAL 194 Cb -0.04 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2kkz s VAL 194 CO 0.03 0.25 1.25 -0.55 0.00 0.00 0.00 175.10 176.08 2kkz s SER 195 N -1.91 4.30 0.28 3.32 0.15 0.17 -4.74 113.70 115.28 2kkz s SER 195 Ca 0.22 2.50 0.02 0.00 0.70 0.00 0.00 55.95 59.39 2kkz s SER 195 Cb -0.11 -2.60 0.61 0.00 -1.71 0.00 0.00 66.02 62.20 2kkz s SER 195 CO 0.14 -2.20 1.78 0.07 1.20 0.00 0.00 173.24 174.23 2kkz h LYS 196 N 0.04 0.74 0.11 5.44 -0.00 -1.98 -0.09 116.57 120.82 2kkz h LYS 196 Ca -0.49 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.11 2kkz h LYS 196 Cb 1.32 -0.17 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 2kkz h LYS 196 CO 0.51 0.49 -0.05 1.79 -0.00 0.00 0.00 179.45 182.18 2kkz h THR 197 N 0.76 1.11 -0.11 0.07 1.35 -1.98 -3.06 112.91 111.06 2kkz h THR 197 Ca 0.51 -1.08 0.03 0.00 -0.55 0.00 0.00 66.41 65.33 2kkz h THR 197 Cb 0.71 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2kkz h THR 197 CO -0.35 0.25 0.08 -0.07 -0.25 0.00 0.00 175.52 175.18 2kkz h LEU 198 N -0.67 0.00 0.19 3.87 3.38 -1.74 0.40 115.31 120.74 2kkz h LEU 198 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kkz h LEU 198 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kkz h LEU 198 CO 0.02 0.00 -0.09 1.56 0.09 0.00 0.00 178.44 180.02 2kkz h GLN 199 N 0.00 -0.24 0.00 1.13 4.20 -1.09 0.34 115.11 119.45 2kkz h GLN 199 Ca 0.05 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kkz h GLN 199 Cb 0.21 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2kkz h GLN 199 CO -0.00 0.16 0.00 2.89 -0.67 0.00 0.00 178.83 181.21 2kkz n ARG 200 N -4.96 0.07 -0.13 1.46 -4.01 -0.90 -0.87 116.66 107.32 2kkz n ARG 200 Ca -0.08 0.03 -0.28 0.00 -1.04 0.00 0.00 57.85 56.48 2kkz n ARG 200 Cb 0.26 -1.50 -0.09 0.00 -3.04 0.00 0.00 32.46 28.09 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 -1.46 0.00 0.00 2.89 3.72 0.08 -4.49 117.46 118.21 2kkz n PHE 201 Ca 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 2kkz n PHE 201 Cb 0.30 -0.94 -0.01 0.00 -0.94 0.00 0.00 39.48 37.90 2kkz n PHE 201 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kkz n ALA 202 N -4.21 2.25 0.38 4.37 0.00 -0.52 -2.64 120.51 120.14 2kkz n ALA 202 Ca -0.51 -0.22 -0.18 0.00 0.00 0.00 0.00 53.44 52.53 2kkz n ALA 202 Cb 0.86 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.24 -0.96 -3.51 0.00 2.91 -0.94 -3.37 115.95 109.84 2kkz h TRP 203 Ca 0.00 -0.02 -0.53 0.00 1.13 0.00 0.00 58.89 59.47 2kkz h TRP 203 Cb 0.24 0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 2kkz h TRP 203 CO -0.10 -0.58 0.27 0.20 -1.03 0.00 0.00 178.44 177.20 2kkz s GLY 204 N -2.08 2.91 -1.28 2.65 0.00 -0.05 -4.99 107.32 104.48 2kkz s GLY 204 Ca -0.18 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.79 2kkz s GLY 204 CO 0.62 1.27 1.77 -0.56 0.00 0.00 0.00 173.10 176.20 2kkz s SER 205 N -0.08 6.57 -1.45 1.64 0.01 -1.26 -4.48 113.70 114.65 2kkz s SER 205 Ca 0.43 -2.33 -0.13 0.00 1.31 0.00 0.00 55.95 55.24 2kkz s SER 205 Cb -0.22 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.47 2kkz s SER 205 CO 0.27 -1.46 2.29 -0.24 0.41 0.00 0.00 173.24 174.50 2kkz n SER 206 N 9.29 4.85 0.00 2.44 2.88 -1.26 -4.77 113.62 127.06 2kkz n SER 206 Ca 0.48 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 2kkz n SER 206 Cb 0.46 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2kkz n SER 206 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kkz n ASN 207 N 5.29 0.00 -3.63 -3.46 0.23 -1.26 -4.55 115.26 107.88 2kkz n ASN 207 Ca 0.54 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 54.44 2kkz n ASN 207 Cb 0.36 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.99 2kkz n ASN 207 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2kkz s GLU 208 N -1.54 0.87 -0.72 -3.83 -1.05 -1.26 -5.08 118.70 106.08 2kkz s GLU 208 Ca 0.00 0.10 0.04 0.00 -0.15 0.00 0.00 54.97 54.96 2kkz s GLU 208 Cb 0.00 0.40 0.21 0.00 -0.44 0.00 0.00 34.13 34.30 2kkz s GLU 208 CO 0.00 -0.25 0.67 0.09 0.95 0.00 0.00 175.26 176.72 2kkz n ASN 209 N 1.18 3.61 -0.05 0.83 5.03 -1.26 -4.91 115.26 119.70 2kkz n ASN 209 Ca -0.20 -3.30 -0.10 0.00 0.87 0.00 0.00 54.58 51.84 2kkz n ASN 209 Cb 0.57 -0.78 -0.04 0.00 -1.02 0.00 0.00 39.78 38.50 2kkz n ASN 209 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2kkz h GLY 210 N 5.00 0.29 -5.41 7.41 0.00 -2.07 -3.40 103.07 104.89 2kkz h GLY 210 Ca 0.17 -0.13 -0.67 0.00 0.00 0.00 0.00 47.33 46.71 2kkz h GLY 210 CO 0.81 0.12 -0.75 0.50 0.00 0.00 0.00 176.54 177.22 2kkz s ARG 211 N -5.88 3.12 0.53 4.80 0.52 -1.26 -5.14 118.95 115.65 2kkz s ARG 211 Ca -0.13 -0.66 -0.22 0.00 -0.52 0.00 0.00 55.73 54.20 2kkz s ARG 211 Cb 0.08 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.91 2kkz s ARG 211 CO 0.70 0.37 1.30 -1.25 0.02 0.00 0.00 175.30 176.43 2kkz s PRO 212 N -0.04 3.26 1.00 3.54 0.04 -1.26 -5.04 135.00 136.49 2kkz s PRO 212 Ca -0.02 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 2kkz s PRO 212 Cb -0.14 -2.26 0.19 0.00 0.04 0.00 0.00 34.50 32.34 2kkz s PRO 212 CO 0.04 -1.05 1.09 -1.25 0.04 0.00 0.00 177.00 175.86 2kkz s PRO 213 N -2.90 0.37 -0.45 0.56 0.04 -1.26 -4.88 135.00 126.48 2kkz s PRO 213 Ca 0.70 1.10 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 2kkz s PRO 213 Cb -0.37 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2kkz s PRO 213 CO 0.43 -2.93 2.37 1.28 0.04 0.00 0.00 177.00 178.19 2kkz n LEU 214 N -4.39 2.36 -4.75 -3.56 4.77 -1.26 -4.89 117.00 105.28 2kkz n LEU 214 Ca 0.07 -0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.50 2kkz n LEU 214 Cb 0.54 -1.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.18 2kkz n LEU 214 CO 0.54 -1.19 1.00 0.42 -1.33 0.00 0.00 177.39 176.83 2kkz s THR 215 N 10.43 2.05 -0.92 -5.08 -4.23 -1.26 -4.81 115.64 111.82 2kkz s THR 215 Ca 1.03 0.04 -0.25 0.00 -1.18 0.00 0.00 61.69 61.33 2kkz s THR 215 Cb -0.38 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.35 2kkz s THR 215 CO 0.33 0.00 2.07 -0.76 -0.54 0.00 0.00 174.62 175.72 2kkz s LEU 216 N -3.47 3.03 0.00 4.79 1.43 -1.26 -5.30 118.68 117.91 2kkz s LEU 216 Ca 0.71 -0.64 0.25 0.00 -1.03 0.00 0.00 54.13 53.42 2kkz s LEU 216 Cb -0.41 -2.56 0.42 0.00 0.03 0.00 0.00 46.19 43.67 2kkz s LEU 216 CO 0.49 -3.17 1.39 -1.84 0.23 0.00 0.00 176.35 173.45