#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma n ILE -4 N 0.00 3.90 -4.36 -0.61 5.41 -1.26 -4.92 119.36 117.52 2kma n ILE -4 Ca 0.00 -3.86 -0.34 0.00 1.00 0.00 0.00 62.75 59.55 2kma n ILE -4 Cb 0.00 -2.46 -0.14 0.00 -0.71 0.00 0.00 39.64 36.32 2kma n ILE -4 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2kma s ASP -3 N 2.90 4.10 0.00 4.38 1.01 -1.26 -4.99 116.67 122.81 2kma s ASP -3 Ca 0.47 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.36 2kma s ASP -3 Cb 0.08 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.35 2kma s ASP -3 CO -0.01 0.08 1.60 -2.65 0.21 0.00 0.00 175.17 174.40 2kma n PRO -2 N 4.11 0.89 -1.50 8.23 -0.02 -1.26 -3.73 135.00 141.73 2kma n PRO -2 Ca -0.18 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.28 2kma n PRO -2 Cb 0.52 -1.05 0.09 0.00 -0.02 0.00 0.00 33.50 33.03 2kma n PRO -2 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2kma n PHE -1 N 1.35 0.72 0.00 6.00 3.72 -1.26 -4.82 117.46 123.17 2kma n PHE -1 Ca 0.00 -1.44 0.00 0.00 -0.05 0.00 0.00 57.45 55.96 2kma n PHE -1 Cb 0.45 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kma n THR 0 N -0.48 0.00 -2.61 4.37 -2.24 -1.24 -4.51 114.28 107.58 2kma n THR 0 Ca 0.18 0.97 -0.13 0.00 -2.27 0.00 0.00 64.05 62.80 2kma n THR 0 Cb 0.90 -1.97 0.02 0.00 -2.10 0.00 0.00 70.33 67.18 2kma n THR 0 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kma n MET 1 N -0.47 1.85 -2.81 -0.78 1.56 -1.26 -4.72 117.12 110.49 2kma n MET 1 Ca 0.00 -3.62 -0.11 0.00 -0.27 0.00 0.00 57.70 53.70 2kma n MET 1 Cb 0.00 -1.56 0.03 0.00 2.15 0.00 0.00 33.22 33.84 2kma n MET 1 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2kma n VAL 2 N -0.24 0.45 -3.87 1.12 0.24 -1.26 -5.11 118.33 109.66 2kma n VAL 2 Ca 0.17 -3.11 -0.12 0.00 -2.04 0.00 0.00 64.34 59.25 2kma n VAL 2 Cb 0.79 0.54 -0.13 0.00 -1.47 0.00 0.00 33.84 33.56 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -2.17 -0.13 -0.15 2.33 0.00 -1.26 -3.96 121.76 116.41 2kma s ALA 3 Ca 0.29 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 2kma s ALA 3 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2kma s ALA 3 CO -0.02 -0.05 -0.04 -0.51 0.00 0.00 0.00 175.76 175.14 2kma s LEU 4 N -0.23 3.24 -0.59 0.00 1.02 0.20 -4.77 118.68 117.54 2kma s LEU 4 Ca -0.03 -0.13 -0.20 0.00 0.02 0.00 0.00 54.13 53.79 2kma s LEU 4 Cb -0.02 -1.78 0.08 0.00 0.02 0.00 0.00 46.19 44.49 2kma s LEU 4 CO 0.00 0.17 0.79 -0.44 0.02 0.00 0.00 176.35 176.89 2kma s SER 5 N 0.35 6.20 -0.20 2.29 0.01 -1.26 -1.32 113.70 119.76 2kma s SER 5 Ca -0.04 -1.13 -0.03 0.00 1.31 0.00 0.00 55.95 56.06 2kma s SER 5 Cb -0.14 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2kma s SER 5 CO 0.03 -1.19 -0.06 -0.76 0.41 0.00 0.00 173.24 171.67 2kma s LEU 6 N 3.19 2.86 -0.27 2.44 1.02 0.74 -2.41 118.68 126.25 2kma s LEU 6 Ca 0.17 -0.37 -0.29 0.00 0.02 0.00 0.00 54.13 53.65 2kma s LEU 6 Cb -0.20 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 2kma s LEU 6 CO 0.09 0.02 1.49 -0.54 0.02 0.00 0.00 176.35 177.44 2kma s LYS 7 N 1.23 3.79 -0.58 1.70 1.02 -1.16 -1.79 119.74 123.95 2kma s LYS 7 Ca 0.03 1.43 -0.21 0.00 0.02 0.00 0.00 55.97 57.23 2kma s LYS 7 Cb -0.14 -3.99 0.07 0.00 -0.52 0.00 0.00 37.83 33.25 2kma s LYS 7 CO -0.02 -1.29 0.80 0.42 -0.92 0.00 0.00 175.35 174.34 2kma s ILE 8 N 5.01 4.61 -0.20 2.17 -1.09 0.20 -0.18 121.20 131.73 2kma s ILE 8 Ca 0.65 -0.45 -0.13 0.00 -2.23 0.00 0.00 60.65 58.49 2kma s ILE 8 Cb -0.21 -4.50 -0.05 0.00 -1.58 0.00 0.00 42.46 36.12 2kma s ILE 8 CO 0.28 -1.13 0.27 -0.55 -1.23 0.00 0.00 174.94 172.57 2kma s SER 9 N 3.25 6.31 -0.48 3.58 0.15 -1.14 -0.23 113.70 125.14 2kma s SER 9 Ca 0.19 0.36 0.03 0.00 0.70 0.00 0.00 55.95 57.22 2kma s SER 9 Cb -0.19 -2.16 0.13 0.00 -1.71 0.00 0.00 66.02 62.09 2kma s SER 9 CO 0.11 0.04 0.26 -0.63 1.20 0.00 0.00 173.24 174.22 2kma s ILE 10 N 0.90 1.93 0.00 6.45 1.01 1.00 -0.93 121.20 131.56 2kma s ILE 10 Ca 0.14 -2.94 0.00 0.00 0.00 0.00 0.00 60.65 57.85 2kma s ILE 10 Cb -0.13 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2kma s ILE 10 CO 0.05 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.73 2kma n GLY 11 N 3.30 2.10 0.00 6.18 0.00 -1.26 -2.69 105.19 112.81 2kma n GLY 11 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kma n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kma n ASN 12 N 4.18 2.15 -4.85 1.61 6.94 -1.26 -5.08 115.26 118.94 2kma n ASN 12 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 2kma n ASN 12 Cb 0.00 0.38 -0.06 0.00 -2.36 0.00 0.00 39.78 37.75 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kma s VAL 13 N -0.98 4.67 -0.05 3.53 0.11 -1.10 -5.08 120.40 121.50 2kma s VAL 13 Ca 0.00 0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 59.99 2kma s VAL 13 Cb 0.00 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 31.24 2kma s VAL 13 CO 0.00 -0.28 0.02 0.54 -3.33 0.00 0.00 175.10 172.04 2kma s VAL 14 N -2.10 0.18 0.08 2.04 0.11 -1.26 -0.00 120.40 119.45 2kma s VAL 14 Ca 0.55 0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.88 2kma s VAL 14 Cb -0.10 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2kma s VAL 14 CO 0.20 0.21 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.44 2kma s LYS 15 N 1.80 1.17 -0.29 1.54 -0.14 0.68 -4.93 119.74 119.58 2kma s LYS 15 Ca 0.01 -1.06 -0.13 0.00 -1.36 0.00 0.00 55.97 53.43 2kma s LYS 15 Cb -0.12 -1.36 -0.04 0.00 -1.68 0.00 0.00 37.83 34.62 2kma s LYS 15 CO -0.04 0.33 0.26 0.99 -0.76 0.00 0.00 175.35 176.13 2kma s THR 16 N -1.05 5.26 0.08 2.17 2.01 -1.26 0.61 115.64 123.46 2kma s THR 16 Ca 0.06 0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.36 2kma s THR 16 Cb -0.10 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2kma s THR 16 CO 0.03 0.17 -0.14 -0.04 -0.69 0.00 0.00 174.62 173.96 2kma s MET 17 N 1.87 0.83 -0.07 4.92 -1.94 -0.74 -4.98 119.30 119.19 2kma s MET 17 Ca 0.10 -0.99 0.04 0.00 -1.71 0.00 0.00 55.69 53.13 2kma s MET 17 Cb -0.16 -0.79 -0.02 0.00 2.01 0.00 0.00 34.83 35.87 2kma s MET 17 CO 0.11 0.17 -0.18 -0.65 -0.01 0.00 0.00 175.02 174.46 2kma s GLN 18 N -1.89 2.70 0.20 2.03 -0.21 -1.25 -0.18 119.66 121.05 2kma s GLN 18 Ca -0.01 -0.77 0.08 0.00 0.02 0.00 0.00 55.36 54.68 2kma s GLN 18 Cb -0.09 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 2kma s GLN 18 CO 0.02 0.45 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.44 2kma s PHE 19 N -0.31 1.70 0.39 0.91 0.40 -0.44 -4.85 117.98 115.78 2kma s PHE 19 Ca 0.02 -0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 55.55 2kma s PHE 19 Cb -0.13 -0.80 -0.10 0.00 0.51 0.00 0.00 43.02 42.51 2kma s PHE 19 CO 0.03 0.34 0.99 -1.21 0.70 0.00 0.00 175.22 176.06 2kma s GLU 20 N -3.51 4.29 0.50 0.44 2.02 -1.26 0.60 118.70 121.77 2kma s GLU 20 Ca 0.21 1.34 0.17 0.00 0.02 0.00 0.00 54.97 56.70 2kma s GLU 20 Cb -0.01 -2.49 1.23 0.00 0.10 0.00 0.00 34.13 32.96 2kma s GLU 20 CO 0.06 0.00 2.10 -1.00 0.02 0.00 0.00 175.26 176.44 2kma h PRO 21 N 2.48 0.09 -0.34 0.39 0.13 -1.93 -0.21 132.00 132.61 2kma h PRO 21 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kma h PRO 21 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kma h PRO 21 CO 0.63 0.06 0.00 0.43 -0.23 0.00 0.00 178.00 178.88 2kma n SER 22 N -4.50 2.41 -4.60 1.44 7.64 -1.26 -2.67 113.62 112.08 2kma n SER 22 Ca 0.01 -1.89 -0.43 0.00 1.01 0.00 0.00 58.87 57.57 2kma n SER 22 Cb 0.21 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 2kma n SER 22 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kma s THR 23 N -1.56 3.87 0.73 0.44 2.01 -0.09 -4.86 115.64 116.17 2kma s THR 23 Ca 0.34 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 63.08 2kma s THR 23 Cb 0.18 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kma s THR 23 CO 0.26 -0.69 1.19 -0.32 -0.69 0.00 0.00 174.62 174.36 2kma s MET 24 N 4.95 2.18 0.29 4.92 1.75 -1.26 -2.25 119.30 129.88 2kma s MET 24 Ca 0.63 1.69 0.04 0.00 -1.25 0.00 0.00 55.69 56.80 2kma s MET 24 Cb -0.15 -1.85 0.75 0.00 2.84 0.00 0.00 34.83 36.43 2kma s MET 24 CO 0.32 -1.79 1.65 0.28 -0.65 0.00 0.00 175.02 174.83 2kma h VAL 25 N -0.34 0.33 -0.04 10.11 2.07 -1.74 0.29 116.25 126.93 2kma h VAL 25 Ca -0.47 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2kma h VAL 25 Cb 1.29 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2kma h VAL 25 CO 0.50 0.04 -0.27 0.10 0.02 0.00 0.00 177.57 177.97 2kma h TYR 26 N 0.24 0.07 0.04 1.57 -0.00 -1.87 0.44 116.97 117.47 2kma h TYR 26 Ca 0.57 -0.01 -0.18 0.00 0.00 0.00 0.00 58.73 59.11 2kma h TYR 26 Cb 1.17 -0.02 0.02 0.00 0.00 0.00 0.00 36.73 37.90 2kma h TYR 26 CO -0.22 0.34 -0.72 -0.44 -0.00 0.00 0.00 178.16 177.11 2kma h ASP 27 N 0.06 0.56 -0.14 0.10 3.32 -1.16 -3.18 116.42 115.99 2kma h ASP 27 Ca 0.01 -0.81 0.03 0.00 0.02 0.00 0.00 57.03 56.27 2kma h ASP 27 Cb 0.51 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2kma h ASP 27 CO 0.04 1.31 -0.03 0.00 -1.72 0.00 0.00 179.24 178.84 2kma h ALA 28 N 0.26 0.10 -0.55 3.45 0.00 -0.23 -2.45 119.26 119.83 2kma h ALA 28 Ca -0.10 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2kma h ALA 28 Cb 1.46 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2kma h ALA 28 CO 0.14 -0.48 0.37 0.00 0.00 0.00 0.00 179.25 179.28 2kma h ARG 30 N 0.40 0.49 0.04 0.00 0.11 -1.42 -2.84 114.38 111.16 2kma h ARG 30 Ca 0.25 -0.42 -0.07 0.00 0.10 0.00 0.00 59.98 59.84 2kma h ARG 30 Cb 0.47 0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.65 2kma h ARG 30 CO -0.07 1.05 -0.28 0.52 0.10 0.00 0.00 179.97 181.30 2kma h MET 31 N 0.33 0.12 -0.66 0.08 2.86 -1.10 -3.09 114.93 113.48 2kma h MET 31 Ca -0.04 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2kma h MET 31 Cb 1.37 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 33.03 2kma h MET 31 CO 0.14 1.04 0.35 0.97 1.06 0.00 0.00 176.91 180.46 2kma h ILE 32 N -0.70 0.92 -0.02 -1.22 2.10 -1.10 0.30 117.51 117.80 2kma h ILE 32 Ca -0.05 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.68 2kma h ILE 32 Cb 1.17 0.24 -0.00 0.00 -1.09 0.00 0.00 36.82 37.14 2kma h ILE 32 CO 0.05 0.11 0.01 0.03 -1.08 0.00 0.00 178.15 177.28 2kma h ARG 33 N 0.63 0.00 -0.01 2.19 3.08 -1.62 0.32 114.38 118.96 2kma h ARG 33 Ca 0.31 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.20 2kma h ARG 33 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kma h ARG 33 CO -0.21 0.00 -0.61 1.49 -1.07 0.00 0.00 179.97 179.57 2kma h GLU 34 N 0.00 0.44 0.05 0.04 4.57 -0.46 -3.38 114.58 115.84 2kma h GLU 34 Ca 0.01 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2kma h GLU 34 Cb 0.03 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2kma h GLU 34 CO -0.00 1.11 -0.02 0.00 -1.18 0.00 0.00 179.01 178.91 2kma h ARG 35 N -0.05 -0.07 -4.61 1.92 2.47 -0.20 -3.44 114.38 110.41 2kma h ARG 35 Ca -0.07 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 57.95 2kma h ARG 35 Cb 1.31 0.01 -0.23 0.00 -1.65 0.00 0.00 29.97 29.42 2kma h ARG 35 CO 0.12 0.52 -0.49 0.42 0.56 0.00 0.00 179.97 181.10 2kma s ILE 36 N -2.60 4.84 -1.16 2.04 1.01 0.11 -4.93 121.20 120.51 2kma s ILE 36 Ca -0.13 -0.67 0.13 0.00 0.00 0.00 0.00 60.65 59.98 2kma s ILE 36 Cb -0.01 -3.64 0.15 0.00 0.01 0.00 0.00 42.46 38.97 2kma s ILE 36 CO 0.48 -0.18 1.39 -2.65 0.00 0.00 0.00 174.94 173.98 2kma n PRO 37 N 5.05 0.07 0.02 2.79 -0.02 -1.26 -1.94 135.00 139.71 2kma n PRO 37 Ca -0.12 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.72 2kma n PRO 37 Cb 0.47 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.87 2kma n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kma n GLU 38 N -1.42 0.06 -0.03 -0.52 -0.58 -1.26 -4.05 120.64 112.84 2kma n GLU 38 Ca 0.04 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 2kma n GLU 38 Cb 0.13 -1.56 -0.09 0.00 -0.57 0.00 0.00 31.44 29.35 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kma h ALA 39 N 2.89 0.12 -1.19 0.62 0.00 -1.70 -3.36 119.26 116.63 2kma h ALA 39 Ca 0.00 -0.43 -0.77 0.00 0.00 0.00 0.00 54.91 53.70 2kma h ALA 39 Cb 0.56 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.15 2kma h ALA 39 CO 0.00 0.15 1.66 1.47 0.00 0.00 0.00 179.25 182.53 2kma n LEU 40 N -4.46 6.79 -0.74 0.00 -0.00 -1.26 -4.71 117.00 112.63 2kma n LEU 40 Ca -0.08 -4.88 0.00 0.00 -0.00 0.00 0.00 56.01 51.05 2kma n LEU 40 Cb 0.49 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 2kma n LEU 40 CO 0.41 1.59 0.34 0.00 -0.00 0.00 0.00 177.39 179.73 2kma n ALA 41 N 2.67 2.41 0.00 1.47 0.00 -1.26 -4.85 120.51 120.95 2kma n ALA 41 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2kma n ALA 41 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2kma n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 42 N 0.27 -0.64 3.66 0.00 0.00 -1.26 -5.12 105.19 102.10 2kma n GLY 42 Ca 0.00 -1.10 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 2kma n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kma n PRO 43 N 0.00 2.02 0.10 1.61 -0.02 -1.26 -4.88 135.00 132.56 2kma n PRO 43 Ca 0.00 0.72 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 2kma n PRO 43 Cb 0.00 -2.42 0.73 0.00 -0.02 0.00 0.00 33.50 31.79 2kma n PRO 43 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2kma h PRO 44 N 4.93 0.00 0.00 0.52 0.13 -1.95 0.89 132.00 136.52 2kma h PRO 44 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kma h PRO 44 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kma h PRO 44 CO 0.81 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 2kma n ASN 45 N -4.15 0.19 0.01 1.44 0.23 -1.26 -2.71 115.26 109.02 2kma n ASN 45 Ca 0.06 0.53 0.11 0.00 -0.53 0.00 0.00 54.58 54.74 2kma n ASN 45 Cb 0.47 -0.58 -0.04 0.00 -2.08 0.00 0.00 39.78 37.56 2kma n ASN 45 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kma n ASP 46 N -1.69 0.69 -4.23 0.53 -0.08 0.30 -4.81 116.55 107.26 2kma n ASP 46 Ca 0.05 -0.54 -0.28 0.00 -1.51 0.00 0.00 54.79 52.51 2kma n ASP 46 Cb 0.30 0.98 -0.16 0.00 2.34 0.00 0.00 41.12 44.58 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2kma s PHE 47 N -3.13 1.99 0.00 -0.67 0.08 -1.10 0.42 117.98 115.58 2kma s PHE 47 Ca 0.05 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.65 2kma s PHE 47 Cb 0.15 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2kma s PHE 47 CO 0.83 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 176.28 2kma n GLY 48 N 2.70 4.01 3.35 4.36 0.00 0.15 -4.70 105.19 115.07 2kma n GLY 48 Ca -0.16 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 2kma n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kma s LEU 49 N 0.00 4.65 -0.19 0.99 1.43 -1.26 -1.46 118.68 122.84 2kma s LEU 49 Ca 0.00 -1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 2kma s LEU 49 Cb 0.00 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2kma s LEU 49 CO 0.00 -0.38 0.09 0.12 0.23 0.00 0.00 176.35 176.41 2kma s PHE 50 N 1.52 3.33 -0.32 0.29 5.36 0.80 0.48 117.98 129.43 2kma s PHE 50 Ca 0.01 0.19 -0.18 0.00 -0.96 0.00 0.00 56.93 55.99 2kma s PHE 50 Cb -0.19 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2kma s PHE 50 CO 0.06 0.23 0.52 -1.17 -1.46 0.00 0.00 175.22 173.39 2kma s LEU 51 N 0.33 4.23 -1.26 6.12 1.98 0.07 0.28 118.68 130.43 2kma s LEU 51 Ca 0.05 0.17 -0.19 0.00 -2.89 0.00 0.00 54.13 51.28 2kma s LEU 51 Cb -0.12 -2.62 0.05 0.00 0.66 0.00 0.00 46.19 44.16 2kma s LEU 51 CO -0.01 -0.42 1.74 -0.44 -1.89 0.00 0.00 176.35 175.33 2kma s SER 52 N 1.69 6.58 0.03 3.68 0.01 -1.09 -3.16 113.70 121.44 2kma s SER 52 Ca 0.20 -2.25 -0.28 0.00 1.31 0.00 0.00 55.95 54.93 2kma s SER 52 Cb -0.15 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.33 2kma s SER 52 CO 0.12 -1.44 1.29 -0.78 0.41 0.00 0.00 173.24 172.83 2kma h ASP 53 N 8.06 -0.61 0.00 2.44 1.82 -1.85 -3.42 116.42 122.86 2kma h ASP 53 Ca 0.40 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 2kma h ASP 53 Cb 0.89 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2kma h ASP 53 CO 1.43 -0.28 0.00 -0.67 -1.61 0.00 0.00 179.24 178.10 2kma n ASP 54 N -5.32 -0.94 -4.32 2.28 2.03 -1.26 -5.03 116.55 104.00 2kma n ASP 54 Ca -0.11 0.53 -0.28 0.00 0.52 0.00 0.00 54.79 55.45 2kma n ASP 54 Cb 0.33 1.21 -0.14 0.00 -0.72 0.00 0.00 41.12 41.80 2kma n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kma s ASP 55 N -1.86 2.90 0.53 1.67 -1.08 -1.26 -5.01 116.67 112.56 2kma s ASP 55 Ca 0.00 -0.61 0.38 0.00 -0.52 0.00 0.00 52.55 51.80 2kma s ASP 55 Cb 0.00 -0.23 1.55 0.00 -1.46 0.00 0.00 42.92 42.78 2kma s ASP 55 CO 0.00 0.19 1.74 1.55 0.52 0.00 0.00 175.17 179.17 2kma h PRO 56 N 4.56 0.04 -0.10 4.34 0.13 -1.98 0.50 132.00 139.48 2kma h PRO 56 Ca -0.46 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2kma h PRO 56 Cb 1.16 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kma h PRO 56 CO 0.42 0.02 -0.60 0.87 -0.23 0.00 0.00 178.00 178.48 2kma h LYS 57 N 0.04 0.35 0.00 0.86 1.79 -1.96 -3.09 116.57 114.56 2kma h LYS 57 Ca 0.67 -0.24 -0.06 0.00 -2.18 0.00 0.00 60.65 58.84 2kma h LYS 57 Cb 2.56 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 33.24 2kma h LYS 57 CO -0.06 0.85 -0.80 0.87 -1.08 0.00 0.00 179.45 179.23 2kma h LYS 58 N 0.26 0.00 -7.16 3.15 1.57 -0.61 -3.46 116.57 110.32 2kma h LYS 58 Ca -0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 2kma h LYS 58 Cb 1.13 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.60 2kma h LYS 58 CO 0.10 0.16 0.42 0.20 -0.57 0.00 0.00 179.45 179.76 2kma s GLY 59 N -4.45 2.46 0.04 3.86 0.00 0.86 -4.74 107.32 105.34 2kma s GLY 59 Ca 0.01 0.96 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 2kma s GLY 59 CO 0.76 1.37 -0.03 -0.26 0.00 0.00 0.00 173.10 174.94 2kma s ILE 60 N -1.85 0.18 -0.22 0.90 -4.36 -1.19 -4.98 121.20 109.68 2kma s ILE 60 Ca 0.76 -1.46 -0.16 0.00 -0.26 0.00 0.00 60.65 59.53 2kma s ILE 60 Cb -0.31 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 2kma s ILE 60 CO 0.44 -0.80 0.42 0.26 0.24 0.00 0.00 174.94 175.50 2kma s TRP 61 N -2.96 3.34 -0.53 1.37 0.52 -1.26 -0.75 118.94 118.67 2kma s TRP 61 Ca -0.02 0.60 -0.26 0.00 0.02 0.00 0.00 56.10 56.44 2kma s TRP 61 Cb 0.01 -2.57 0.03 0.00 -1.15 0.00 0.00 33.47 29.79 2kma s TRP 61 CO -0.06 -0.09 1.03 -0.51 0.02 0.00 0.00 176.95 177.34 2kma s LEU 62 N 1.58 3.83 0.51 2.99 1.43 0.18 -4.97 118.68 124.23 2kma s LEU 62 Ca 0.19 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 2kma s LEU 62 Cb -0.15 -3.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 2kma s LEU 62 CO 0.09 -1.26 0.90 -1.83 0.23 0.00 0.00 176.35 174.48 2kma s GLU 63 N 4.25 3.71 0.07 1.70 -1.05 -1.26 -4.29 118.70 121.84 2kma s GLU 63 Ca 0.38 0.61 0.14 0.00 -0.15 0.00 0.00 54.97 55.95 2kma s GLU 63 Cb -0.10 -2.23 0.60 0.00 -0.44 0.00 0.00 34.13 31.96 2kma s GLU 63 CO 0.24 -0.29 1.43 0.00 0.95 0.00 0.00 175.26 177.60 2kma n ALA 64 N -2.01 1.48 1.02 -0.84 0.00 -1.26 -2.79 120.51 116.11 2kma n ALA 64 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.50 2kma n ALA 64 Cb 0.54 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.84 2kma n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 65 N -0.41 0.92 3.41 0.00 0.00 -1.26 -4.54 105.19 103.31 2kma n GLY 65 Ca 0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2kma n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kma s LYS 66 N -1.52 1.16 0.69 1.61 0.00 -1.12 -5.12 119.74 115.45 2kma s LYS 66 Ca 0.10 -0.38 -0.06 0.00 0.00 0.00 0.00 55.97 55.62 2kma s LYS 66 Cb 0.06 0.53 0.06 0.00 0.00 0.00 0.00 37.83 38.48 2kma s LYS 66 CO 0.04 -0.47 1.00 0.00 0.00 0.00 0.00 175.35 175.93 2kma s ALA 67 N -3.18 3.18 -0.03 0.59 0.00 -1.26 -2.90 121.76 118.15 2kma s ALA 67 Ca -0.01 -0.91 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 2kma s ALA 67 Cb -0.00 -2.60 -0.15 0.00 0.00 0.00 0.00 23.12 20.37 2kma s ALA 67 CO -0.08 -1.25 0.95 -0.07 0.00 0.00 0.00 175.76 175.30 2kma h LEU 68 N -0.56 -0.27 0.00 0.00 3.38 -1.58 -3.21 115.31 113.07 2kma h LEU 68 Ca -0.44 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2kma h LEU 68 Cb 1.31 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2kma h LEU 68 CO 0.60 0.22 0.00 -0.67 0.09 0.00 0.00 178.44 178.68 2kma n ASP 69 N -5.01 0.00 -0.35 -0.43 2.03 -1.09 -1.79 116.55 109.91 2kma n ASP 69 Ca -0.08 0.48 0.06 0.00 0.52 0.00 0.00 54.79 55.77 2kma n ASP 69 Cb 0.26 -0.49 0.22 0.00 -0.72 0.00 0.00 41.12 40.39 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kma h TYR 70 N 0.00 1.07 0.00 -0.67 3.20 -1.77 -3.41 116.97 115.39 2kma h TYR 70 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kma h TYR 70 Cb 0.24 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2kma h TYR 70 CO 0.00 0.43 0.00 0.66 -1.64 0.00 0.00 178.16 177.61 2kma n TYR 71 N -4.65 0.00 -0.39 -3.82 4.01 -0.74 -4.97 117.16 106.59 2kma n TYR 71 Ca 0.18 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.98 2kma n TYR 71 Cb 0.34 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.56 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kma n MET 72 N 0.00 2.94 -2.70 -0.72 2.81 -1.26 -5.02 117.12 113.17 2kma n MET 72 Ca 0.00 -2.30 -0.36 0.00 -1.81 0.00 0.00 57.70 53.23 2kma n MET 72 Cb 0.00 -1.45 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 2kma n MET 72 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kma s LEU 73 N -1.46 4.13 0.00 4.03 1.43 -1.26 -4.98 118.68 120.57 2kma s LEU 73 Ca 0.30 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 2kma s LEU 73 Cb 0.19 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 42.15 2kma s LEU 73 CO 0.15 -0.34 0.00 -2.11 0.23 0.00 0.00 176.35 174.28 2kma n ARG 74 N -0.09 0.00 -1.87 1.70 1.85 -1.26 -4.43 116.66 112.57 2kma n ARG 74 Ca 0.05 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.52 2kma n ARG 74 Cb 0.51 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.89 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2kma s ASN 75 N 1.10 4.97 0.00 2.89 0.01 -1.26 -2.06 114.94 120.58 2kma s ASN 75 Ca 0.00 0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.74 2kma s ASN 75 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2kma s ASN 75 CO 0.00 -2.56 0.00 0.61 -1.51 0.00 0.00 177.10 173.64 2kma n GLY 76 N 5.81 1.28 3.76 0.66 0.00 -1.01 -4.90 105.19 110.80 2kma n GLY 76 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 2kma n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kma s ASP 77 N -0.45 7.51 -0.10 1.61 1.11 -0.88 -4.91 116.67 120.56 2kma s ASP 77 Ca 0.00 1.90 -0.15 0.00 0.18 0.00 0.00 52.55 54.48 2kma s ASP 77 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2kma s ASP 77 CO 0.00 0.06 0.38 -0.89 1.18 0.00 0.00 175.17 175.90 2kma s THR 78 N -1.37 5.20 -0.21 -1.27 2.01 -1.26 -3.00 115.64 115.74 2kma s THR 78 Ca 0.45 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2kma s THR 78 Cb -0.23 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.63 2kma s THR 78 CO 0.28 0.43 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.26 2kma s MET 79 N 0.03 1.68 -0.12 4.92 1.75 0.75 -2.66 119.30 125.65 2kma s MET 79 Ca 0.22 -0.85 -0.27 0.00 -1.25 0.00 0.00 55.69 53.54 2kma s MET 79 Cb -0.15 -2.43 -0.02 0.00 2.84 0.00 0.00 34.83 35.08 2kma s MET 79 CO 0.09 -0.52 0.88 -2.00 -0.65 0.00 0.00 175.02 172.82 2kma s GLU 80 N 1.45 4.38 -0.56 4.11 2.12 0.14 -2.88 118.70 127.46 2kma s GLU 80 Ca -0.03 1.15 -0.18 0.00 0.36 0.00 0.00 54.97 56.27 2kma s GLU 80 Cb -0.17 -3.54 0.10 0.00 0.26 0.00 0.00 34.13 30.77 2kma s GLU 80 CO -0.07 -0.25 0.63 -0.47 -0.54 0.00 0.00 175.26 174.55 2kma s TYR 81 N 1.84 3.07 0.36 5.30 5.04 -0.11 -0.14 117.35 132.71 2kma s TYR 81 Ca 0.43 -0.94 0.05 0.00 -2.44 0.00 0.00 57.07 54.17 2kma s TYR 81 Cb -0.18 -3.82 -0.02 0.00 0.35 0.00 0.00 41.96 38.30 2kma s TYR 81 CO 0.16 -1.16 0.18 2.89 -1.34 0.00 0.00 175.55 176.29 2kma n ARG 82 N 6.02 0.52 -2.18 4.97 1.85 -0.54 -4.42 116.66 122.89 2kma n ARG 82 Ca -0.10 -3.23 -0.43 0.00 -1.00 0.00 0.00 57.85 53.10 2kma n ARG 82 Cb 0.43 2.04 -0.02 0.00 -1.05 0.00 0.00 32.46 33.86 2kma n ARG 82 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2kma s LYS 83 N -3.41 3.93 0.36 2.89 2.20 -1.26 0.34 119.74 124.79 2kma s LYS 83 Ca 0.26 1.69 0.04 0.00 -0.36 0.00 0.00 55.97 57.60 2kma s LYS 83 Cb 0.01 -3.97 0.67 0.00 -1.51 0.00 0.00 37.83 33.03 2kma s LYS 83 CO 0.18 -1.12 1.95 0.87 -0.36 0.00 0.00 175.35 176.87 2kma h LYS 84 N 10.00 0.59 0.00 4.03 1.79 -0.31 -3.43 116.57 129.24 2kma h LYS 84 Ca -0.33 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2kma h LYS 84 Cb 1.14 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2kma h LYS 84 CO 0.99 0.51 0.00 1.04 -1.08 0.00 0.00 179.45 180.91 2kma n GLN 85 N -4.36 0.14 0.00 3.15 1.13 -1.18 0.45 117.38 116.71 2kma n GLN 85 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2kma n GLN 85 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.51 2kma n GLN 85 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2kma n ARG 86 N -0.75 0.00 -1.84 -1.09 -4.01 -0.53 -4.47 116.66 103.97 2kma n ARG 86 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2kma n ARG 86 Cb 0.00 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.39 2kma n ARG 86 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 2kma s PRO 87 N -0.55 3.83 -0.34 2.89 0.02 -1.26 -3.04 135.00 136.56 2kma s PRO 87 Ca 0.00 2.15 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 2kma s PRO 87 Cb 0.00 -4.14 -0.02 0.00 0.02 0.00 0.00 34.50 30.36 2kma s PRO 87 CO 0.00 -1.28 0.27 -0.51 -0.33 0.00 0.00 177.00 175.14 2kma s LEU 88 N 5.43 4.47 -0.60 -5.54 1.43 -0.92 -4.51 118.68 118.45 2kma s LEU 88 Ca 0.84 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.34 2kma s LEU 88 Cb -0.34 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.74 2kma s LEU 88 CO 0.35 -0.25 1.02 -0.54 0.23 0.00 0.00 176.35 177.16 2kma s LYS 89 N 1.79 3.30 -0.08 1.70 -0.14 -1.24 -3.07 119.74 122.01 2kma s LYS 89 Ca 0.07 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.42 2kma s LYS 89 Cb -0.17 -4.09 0.00 0.00 -1.68 0.00 0.00 37.83 31.89 2kma s LYS 89 CO 0.11 -1.64 -0.20 0.42 -0.76 0.00 0.00 175.35 173.27 2kma s ILE 90 N 4.30 1.76 -0.23 2.17 -1.09 -0.62 0.08 121.20 127.57 2kma s ILE 90 Ca 0.31 -0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 2kma s ILE 90 Cb -0.12 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 2kma s ILE 90 CO 0.18 0.49 0.05 -0.60 -1.23 0.00 0.00 174.94 173.84 2kma s ARG 91 N 0.35 3.71 0.82 2.79 3.52 -0.07 -0.67 118.95 129.41 2kma s ARG 91 Ca -0.15 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 2kma s ARG 91 Cb -0.16 -3.25 0.12 0.00 -1.56 0.00 0.00 34.95 30.09 2kma s ARG 91 CO 0.07 -0.05 1.17 -1.64 -0.81 0.00 0.00 175.30 174.03 2kma s MET 92 N 1.23 1.57 0.25 5.12 -1.94 0.24 -1.12 119.30 124.65 2kma s MET 92 Ca 0.04 -0.25 -0.05 0.00 -1.71 0.00 0.00 55.69 53.72 2kma s MET 92 Cb -0.14 -2.01 0.36 0.00 2.01 0.00 0.00 34.83 35.05 2kma s MET 92 CO 0.03 -1.76 1.84 -0.07 -0.01 0.00 0.00 175.02 175.06 2kma h LEU 93 N -1.08 0.81 0.00 -0.03 -0.00 -1.87 0.38 115.31 113.52 2kma h LEU 93 Ca -0.44 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2kma h LEU 93 Cb 1.29 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2kma h LEU 93 CO 0.53 0.50 0.00 -0.90 -0.00 0.00 0.00 178.44 178.58 2kma n ASP 94 N -4.64 0.00 0.00 -0.43 5.75 -1.26 -4.84 116.55 111.13 2kma n ASP 94 Ca 0.13 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 2kma n ASP 94 Cb 0.21 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kma n GLY 95 N 0.84 1.00 3.72 6.12 0.00 0.13 -5.07 105.19 111.94 2kma n GLY 95 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2kma n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kma s THR 96 N -2.00 5.18 -0.15 2.61 2.01 -1.22 -4.73 115.64 117.34 2kma s THR 96 Ca 0.00 1.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.96 2kma s THR 96 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2kma s THR 96 CO 0.00 0.32 -0.03 0.54 -0.69 0.00 0.00 174.62 174.76 2kma s VAL 97 N 0.65 4.00 0.05 3.82 0.11 -1.26 0.81 120.40 128.58 2kma s VAL 97 Ca 0.27 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2kma s VAL 97 Cb -0.15 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 2kma s VAL 97 CO 0.11 0.50 -0.00 -1.59 -3.33 0.00 0.00 175.10 170.79 2kma s LYS 98 N 0.25 0.63 -0.08 1.54 -2.85 0.16 -4.96 119.74 114.43 2kma s LYS 98 Ca -0.02 -1.18 0.02 0.00 -1.00 0.00 0.00 55.97 53.79 2kma s LYS 98 Cb -0.14 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.84 2kma s LYS 98 CO 0.03 -0.13 -0.14 0.99 0.10 0.00 0.00 175.35 176.20 2kma s THR 99 N -3.89 3.04 0.03 3.79 2.01 -1.25 -1.60 115.64 117.78 2kma s THR 99 Ca 0.07 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2kma s THR 99 Cb 0.07 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2kma s THR 99 CO -0.10 0.57 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.82 2kma s ILE 100 N -0.35 0.44 -0.40 1.82 -1.16 -1.17 -4.91 121.20 115.46 2kma s ILE 100 Ca 0.03 -0.96 -0.22 0.00 -0.51 0.00 0.00 60.65 59.00 2kma s ILE 100 Cb -0.12 -0.51 0.01 0.00 0.61 0.00 0.00 42.46 42.45 2kma s ILE 100 CO 0.02 -0.36 0.72 -0.04 -2.81 0.00 0.00 174.94 172.48 2kma s MET 101 N -1.41 3.56 0.07 3.50 -1.94 -1.26 -2.17 119.30 119.65 2kma s MET 101 Ca -0.10 0.01 0.07 0.00 -1.71 0.00 0.00 55.69 53.96 2kma s MET 101 Cb -0.09 -3.87 -0.03 0.00 2.01 0.00 0.00 34.83 32.85 2kma s MET 101 CO 0.00 -0.92 -0.19 0.08 -0.01 0.00 0.00 175.02 173.98 2kma s VAL 102 N 3.00 1.50 0.24 -6.03 1.01 -1.17 -4.83 120.40 114.13 2kma s VAL 102 Ca 0.28 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 2kma s VAL 102 Cb -0.13 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 2kma s VAL 102 CO 0.18 0.00 1.30 -0.62 0.00 0.00 0.00 175.10 175.97 2kma s ASP 103 N -1.53 6.88 0.24 3.32 -1.08 -1.26 -1.45 116.67 121.78 2kma s ASP 103 Ca 0.05 2.47 0.23 0.00 -0.52 0.00 0.00 52.55 54.78 2kma s ASP 103 Cb -0.09 -2.62 0.26 0.00 -1.46 0.00 0.00 42.92 39.01 2kma s ASP 103 CO 0.03 -0.51 1.34 -0.78 0.52 0.00 0.00 175.17 175.76 2kma h ASP 104 N 4.82 0.00 0.00 -0.34 3.58 -0.22 -3.34 116.42 120.91 2kma h ASP 104 Ca -0.46 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2kma h ASP 104 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kma h ASP 104 CO 0.74 0.03 0.00 -1.20 -2.88 0.00 0.00 179.24 175.93 2kma n SER 105 N -2.59 0.00 -2.91 2.28 7.64 -1.26 -4.74 113.62 112.04 2kma n SER 105 Ca 0.02 -1.71 -0.16 0.00 1.01 0.00 0.00 58.87 58.04 2kma n SER 105 Cb 0.50 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 2kma n SER 105 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kma n LYS 106 N -0.50 0.56 -1.89 1.43 -0.00 -1.26 -5.06 118.16 111.44 2kma n LYS 106 Ca 0.00 -2.31 -0.17 0.00 -0.00 0.00 0.00 58.31 55.83 2kma n LYS 106 Cb 0.00 1.45 0.09 0.00 -0.00 0.00 0.00 35.03 36.58 2kma n LYS 106 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2kma n THR 107 N -0.56 0.00 0.21 0.58 -2.24 -1.26 -4.72 114.28 106.29 2kma n THR 107 Ca -0.01 -1.04 -0.11 0.00 -2.27 0.00 0.00 64.05 60.61 2kma n THR 107 Cb 0.41 -1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 2kma n THR 107 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kma h VAL 108 N -0.70 0.23 -0.77 2.28 2.07 -1.84 -3.06 116.25 114.46 2kma h VAL 108 Ca -0.24 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 66.86 2kma h VAL 108 Cb 0.86 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 2kma h VAL 108 CO 0.24 0.05 0.15 0.74 0.02 0.00 0.00 177.57 178.77 2kma h THR 109 N -1.08 0.44 -0.82 2.57 2.02 -1.97 0.40 112.91 114.47 2kma h THR 109 Ca -0.06 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2kma h THR 109 Cb 0.53 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2kma h THR 109 CO 0.10 0.04 0.40 -0.78 0.37 0.00 0.00 175.52 175.65 2kma h ASP 110 N 0.22 1.08 -0.39 4.18 1.82 -1.97 -1.38 116.42 119.97 2kma h ASP 110 Ca 0.44 -0.13 -0.10 0.00 -0.39 0.00 0.00 57.03 56.85 2kma h ASP 110 Cb 0.79 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2kma h ASP 110 CO -0.57 0.91 -0.15 -0.03 -1.61 0.00 0.00 179.24 177.78 2kma h MET 111 N 1.17 0.80 -0.65 0.28 4.05 -0.77 -2.94 114.93 116.87 2kma h MET 111 Ca 0.28 -0.33 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2kma h MET 111 Cb 0.11 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2kma h MET 111 CO -0.04 0.95 0.28 1.25 0.23 0.00 0.00 176.91 179.59 2kma h LEU 112 N 0.61 0.85 -0.76 3.39 5.85 0.09 -1.22 115.31 124.11 2kma h LEU 112 Ca 0.09 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2kma h LEU 112 Cb 0.69 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2kma h LEU 112 CO 0.05 0.74 0.49 -0.03 -0.34 0.00 0.00 178.44 179.35 2kma h MET 113 N 0.92 0.95 -0.04 1.25 4.05 -1.19 0.43 114.93 121.30 2kma h MET 113 Ca 0.22 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.49 2kma h MET 113 Cb 0.14 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 2kma h MET 113 CO -0.02 0.63 -0.40 1.15 0.23 0.00 0.00 176.91 178.49 2kma h THR 114 N 0.97 1.30 0.01 -0.77 2.02 -1.13 -2.35 112.91 112.96 2kma h THR 114 Ca 0.30 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 2kma h THR 114 Cb -0.03 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2kma h THR 114 CO -0.09 0.42 -0.09 0.40 0.37 0.00 0.00 175.52 176.53 2kma h ILE 115 N 0.08 1.67 -0.03 3.11 2.04 -0.45 -3.29 117.51 120.64 2kma h ILE 115 Ca 0.01 -2.09 -0.05 0.00 1.00 0.00 0.00 64.86 63.72 2kma h ILE 115 Cb 0.74 3.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.89 2kma h ILE 115 CO 0.06 0.55 -0.22 0.00 0.00 0.00 0.00 178.15 178.54 2kma h ALA 117 N 1.74 1.36 -0.25 0.00 0.00 -1.51 0.40 119.26 121.00 2kma h ALA 117 Ca 0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2kma h ALA 117 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kma h ALA 117 CO 0.03 0.15 -0.44 0.00 0.00 0.00 0.00 179.25 178.99 2kma h ARG 118 N 0.00 0.62 0.18 0.00 2.47 -1.33 -3.11 114.38 113.20 2kma h ARG 118 Ca -0.00 -0.34 -0.32 0.00 -1.26 0.00 0.00 59.98 58.07 2kma h ARG 118 Cb 0.31 0.02 0.03 0.00 -1.65 0.00 0.00 29.97 28.68 2kma h ARG 118 CO 0.02 0.94 -1.35 0.82 0.56 0.00 0.00 179.97 180.95 2kma h ILE 119 N 0.50 1.28 0.00 2.04 1.08 -1.44 -3.48 117.51 117.49 2kma h ILE 119 Ca 0.03 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.94 2kma h ILE 119 Cb 0.97 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.57 2kma h ILE 119 CO 0.09 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 178.93 2kma n GLY 120 N 1.53 1.86 3.61 5.37 0.00 -0.05 -5.10 105.19 112.41 2kma n GLY 120 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2kma n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kma s ILE 121 N -2.00 4.87 -0.12 -0.61 1.01 -0.15 -4.95 121.20 119.24 2kma s ILE 121 Ca 0.00 1.03 -0.22 0.00 0.00 0.00 0.00 60.65 61.46 2kma s ILE 121 Cb 0.00 -4.07 -0.20 0.00 0.01 0.00 0.00 42.46 38.20 2kma s ILE 121 CO 0.00 -0.19 0.65 0.74 0.00 0.00 0.00 174.94 176.14 2kma h THR 122 N 5.56 1.33 -2.67 2.92 2.02 -1.98 -3.37 112.91 116.73 2kma h THR 122 Ca -0.25 -1.91 -0.59 0.00 0.77 0.00 0.00 66.41 64.42 2kma h THR 122 Cb 1.11 2.48 -0.11 0.00 -1.74 0.00 0.00 68.15 69.89 2kma h THR 122 CO 0.84 0.44 0.77 0.21 0.37 0.00 0.00 175.52 178.15 2kma s ASN 123 N -6.00 6.21 0.00 4.18 2.47 -1.26 -4.80 114.94 115.74 2kma s ASN 123 Ca -0.14 -0.62 0.18 0.00 0.42 0.00 0.00 52.86 52.69 2kma s ASN 123 Cb -0.02 -2.48 0.01 0.00 -1.45 0.00 0.00 41.25 37.31 2kma s ASN 123 CO 0.53 -1.56 0.92 0.00 -3.72 0.00 0.00 177.10 173.28 2kma n HIS 124 N 8.34 0.00 0.27 0.43 1.44 -1.26 -4.31 115.22 120.13 2kma n HIS 124 Ca 0.00 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 55.88 2kma n HIS 124 Cb 0.47 0.00 0.61 0.00 0.12 0.00 0.00 29.99 31.19 2kma n HIS 124 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 2kma h ASP 125 N 2.09 0.00 0.94 4.39 3.32 -1.99 -2.42 116.42 122.75 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kma h ASP 125 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2kma h ASP 125 CO 0.00 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.19 2kma h GLU 126 N 0.00 0.00 -5.87 3.56 5.08 -1.90 -3.45 114.58 111.99 2kma h GLU 126 Ca -0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2kma h GLU 126 Cb 0.59 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2kma h GLU 126 CO 0.00 0.00 -0.54 0.71 -1.00 0.00 0.00 179.01 178.18 2kma s TYR 127 N -3.57 3.42 0.39 4.33 2.02 -0.91 0.25 117.35 123.28 2kma s TYR 127 Ca 0.02 0.31 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 2kma s TYR 127 Cb 0.09 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2kma s TYR 127 CO 0.50 0.61 0.25 -1.54 -1.57 0.00 0.00 175.55 173.79 2kma s SER 128 N -1.61 4.75 0.02 2.29 1.04 0.20 -4.74 113.70 115.64 2kma s SER 128 Ca 0.22 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.83 2kma s SER 128 Cb -0.12 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 2kma s SER 128 CO 0.13 -0.51 -0.08 -0.22 0.98 0.00 0.00 173.24 173.53 2kma s LEU 129 N -3.97 3.09 -0.04 2.42 0.20 -1.24 -2.29 118.68 116.84 2kma s LEU 129 Ca 0.43 -0.21 -0.01 0.00 0.69 0.00 0.00 54.13 55.03 2kma s LEU 129 Cb -0.01 -1.79 0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2kma s LEU 129 CO 0.25 0.27 0.08 0.54 -0.29 0.00 0.00 176.35 177.19 2kma s VAL 130 N -1.01 -0.09 -0.35 1.68 0.11 -1.05 0.15 120.40 119.84 2kma s VAL 130 Ca 0.17 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2kma s VAL 130 Cb -0.11 -0.15 0.09 0.00 -1.53 0.00 0.00 36.38 34.67 2kma s VAL 130 CO 0.08 0.11 0.10 -0.13 -3.33 0.00 0.00 175.10 171.93 2kma s ARG 131 N 1.42 2.05 -0.46 1.54 0.52 0.15 0.08 118.95 124.25 2kma s ARG 131 Ca -0.05 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.23 2kma s ARG 131 Cb -0.12 -3.36 0.03 0.00 0.52 0.00 0.00 34.95 32.02 2kma s ARG 131 CO -0.04 -0.88 1.18 -1.21 0.02 0.00 0.00 175.30 174.36 2kma s GLU 132 N 1.13 3.72 0.49 3.54 2.02 -0.46 -3.57 118.70 125.56 2kma s GLU 132 Ca 0.04 0.64 0.07 0.00 0.02 0.00 0.00 54.97 55.74 2kma s GLU 132 Cb -0.21 -3.92 0.07 0.00 0.10 0.00 0.00 34.13 30.17 2kma s GLU 132 CO -0.04 -1.39 0.55 1.28 0.02 0.00 0.00 175.26 175.68 2kma n LEU 133 N 7.94 0.00 -0.27 1.80 4.77 -1.23 -3.45 117.00 126.56 2kma n LEU 133 Ca 0.13 -2.29 0.05 0.00 -0.03 0.00 0.00 56.01 53.87 2kma n LEU 133 Cb 0.49 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2kma n LEU 133 CO 0.71 -0.62 0.25 1.15 -1.33 0.00 0.00 177.39 177.55 2kma n MET 134 N -1.89 1.81 -1.71 3.23 0.00 -1.26 -4.80 117.12 112.50 2kma n MET 134 Ca 0.07 -0.71 -0.57 0.00 0.00 0.00 0.00 57.70 56.50 2kma n MET 134 Cb 0.53 -1.12 -0.07 0.00 0.00 0.00 0.00 33.22 32.56 2kma n MET 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2kma n GLU 135 N -0.10 1.25 0.15 3.17 -0.58 -1.26 -4.84 120.64 118.43 2kma n GLU 135 Ca 0.05 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 2kma n GLU 135 Cb 0.23 -2.16 0.24 0.00 -0.57 0.00 0.00 31.44 29.17 2kma n GLU 135 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2kma h GLU 136 N 7.52 0.00 0.15 3.49 4.11 -1.99 -0.12 114.58 127.74 2kma h GLU 136 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 2kma h GLU 136 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2kma h GLU 136 CO 0.96 0.53 -0.07 0.87 0.07 0.00 0.00 179.01 181.37 2kma h LYS 137 N 0.00 -0.20 0.00 1.06 1.79 -2.03 -3.40 116.57 113.78 2kma h LYS 137 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2kma h LYS 137 Cb 0.96 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2kma h LYS 137 CO 0.07 0.01 0.00 1.17 -1.08 0.00 0.00 179.45 179.61 2kma n LYS 138 N -4.90 0.00 -3.27 3.15 4.81 -1.25 -5.00 118.16 111.70 2kma n LYS 138 Ca -0.04 0.47 -0.15 0.00 -0.87 0.00 0.00 58.31 57.72 2kma n LYS 138 Cb 0.15 -1.16 0.01 0.00 0.02 0.00 0.00 35.03 34.05 2kma n LYS 138 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kma n ASP 169 N -1.91 -6.71 -4.05 3.14 2.03 -0.06 -5.04 116.55 103.95 2kma n ASP 169 Ca 0.00 -0.16 -0.13 0.00 0.52 0.00 0.00 54.79 55.03 2kma n ASP 169 Cb 0.00 -3.79 -0.09 0.00 -0.72 0.00 0.00 41.12 36.52 2kma n ASP 169 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kma s GLU 170 N -3.28 1.32 0.44 -0.67 2.02 -1.26 -5.01 118.70 112.26 2kma s GLU 170 Ca 0.13 -1.66 0.25 0.00 0.02 0.00 0.00 54.97 53.71 2kma s GLU 170 Cb -0.02 0.30 0.86 0.00 0.10 0.00 0.00 34.13 35.36 2kma s GLU 170 CO 0.81 -0.45 1.79 -0.07 0.02 0.00 0.00 175.26 177.37 2kma h LEU 171 N 2.52 0.00 -2.85 1.80 3.38 -1.96 -3.26 115.31 114.94 2kma h LEU 171 Ca -0.34 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 2kma h LEU 171 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 171 CO 0.49 0.20 -0.82 0.59 0.09 0.00 0.00 178.44 178.99 2kma n ASN 172 N -3.30 -6.88 -4.58 -0.43 3.02 -1.23 0.31 115.26 102.16 2kma n ASN 172 Ca 0.01 0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 2kma n ASN 172 Cb 0.45 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.85 2kma n ASN 172 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2kma s TRP 173 N -2.10 2.87 -0.15 3.10 0.52 -1.26 -0.01 118.94 121.90 2kma s TRP 173 Ca 0.31 0.56 -0.29 0.00 0.02 0.00 0.00 56.10 56.70 2kma s TRP 173 Cb -0.06 -4.22 -0.05 0.00 -1.15 0.00 0.00 33.47 28.00 2kma s TRP 173 CO 0.81 -1.19 1.83 -0.51 0.02 0.00 0.00 176.95 177.91 2kma s LEU 174 N 4.13 3.95 0.00 2.99 1.43 0.40 -4.82 118.68 126.75 2kma s LEU 174 Ca 0.43 1.96 0.17 0.00 -1.03 0.00 0.00 54.13 55.66 2kma s LEU 174 Cb -0.08 -3.53 0.98 0.00 0.03 0.00 0.00 46.19 43.59 2kma s LEU 174 CO 0.29 -1.34 1.42 0.47 0.23 0.00 0.00 176.35 177.42 2kma n ASP 175 N 8.86 0.00 -1.90 2.29 9.92 -1.26 -3.72 116.55 130.74 2kma n ASP 175 Ca 0.21 -0.46 -0.13 0.00 -0.53 0.00 0.00 54.79 53.89 2kma n ASP 175 Cb 0.44 -0.03 0.02 0.00 -0.64 0.00 0.00 41.12 40.91 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kma n HIS 176 N -1.03 -1.22 0.00 1.24 8.25 -1.26 -4.85 115.22 116.35 2kma n HIS 176 Ca 0.12 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2kma n HIS 176 Cb 0.07 -3.06 0.00 0.00 1.12 0.00 0.00 29.99 28.11 2kma n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kma n GLY 177 N -1.22 -0.03 3.82 -1.41 0.00 -1.26 -4.58 105.19 100.51 2kma n GLY 177 Ca -0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2kma n GLY 177 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kma s ARG 178 N -1.36 1.64 0.68 1.61 1.70 -1.26 -4.81 118.95 117.15 2kma s ARG 178 Ca 0.00 0.33 -0.09 0.00 -0.47 0.00 0.00 55.73 55.50 2kma s ARG 178 Cb 0.00 -1.89 0.03 0.00 -0.57 0.00 0.00 34.95 32.52 2kma s ARG 178 CO 0.00 -1.86 1.03 -0.08 -1.08 0.00 0.00 175.30 173.31 2kma s THR 179 N -3.33 3.15 -0.05 4.99 -1.32 -1.26 -4.34 115.64 113.47 2kma s THR 179 Ca 0.62 0.14 0.13 0.00 -1.21 0.00 0.00 61.69 61.38 2kma s THR 179 Cb -0.14 -3.33 -0.19 0.00 -1.51 0.00 0.00 72.50 67.34 2kma s THR 179 CO 0.52 -0.39 0.82 -0.07 -2.21 0.00 0.00 174.62 173.29 2kma h LEU 180 N -0.55 0.00 -1.27 9.08 3.38 -1.85 -3.36 115.31 120.74 2kma h LEU 180 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2kma h LEU 180 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2kma h LEU 180 CO 0.63 0.85 0.13 0.03 0.09 0.00 0.00 178.44 180.17 2kma h ARG 181 N 0.00 0.63 0.00 1.13 3.08 -1.93 -2.39 114.38 114.90 2kma h ARG 181 Ca -0.20 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2kma h ARG 181 Cb 1.83 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.77 2kma h ARG 181 CO 0.07 0.56 0.00 1.05 -1.07 0.00 0.00 179.97 180.58 2kma h GLU 182 N 0.62 0.00 0.00 0.04 -0.00 -1.90 -2.85 114.58 110.49 2kma h GLU 182 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.45 2kma h GLU 182 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.93 2kma h GLU 182 CO -0.01 0.00 -0.58 1.96 -0.00 0.00 0.00 179.01 180.38 2kma h GLN 183 N 0.00 0.00 -0.31 1.06 4.20 -1.63 -3.47 115.11 114.96 2kma h GLN 183 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2kma h GLN 183 Cb 0.49 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 2kma h GLN 183 CO 0.00 0.19 -0.11 0.41 -0.67 0.00 0.00 178.83 178.66 2kma n GLY 184 N 1.20 0.74 3.80 3.46 0.00 -1.08 -5.00 105.19 108.31 2kma n GLY 184 Ca 0.00 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -2.21 3.71 0.55 1.61 -7.23 -1.26 -4.95 120.40 110.62 2kma s VAL 185 Ca 0.00 0.98 0.05 0.00 -1.81 0.00 0.00 61.98 61.20 2kma s VAL 185 Cb 0.00 -3.40 0.04 0.00 0.56 0.00 0.00 36.38 33.57 2kma s VAL 185 CO 0.00 -0.31 0.37 -1.61 -0.31 0.00 0.00 175.10 173.24 2kma s GLU 186 N -3.50 2.24 0.01 4.82 0.41 -1.26 -4.96 118.70 116.46 2kma s GLU 186 Ca 0.67 -2.07 -0.03 0.00 -0.41 0.00 0.00 54.97 53.12 2kma s GLU 186 Cb -0.17 -2.04 -0.28 0.00 -1.78 0.00 0.00 34.13 29.86 2kma s GLU 186 CO 0.26 -0.61 0.87 0.93 -0.49 0.00 0.00 175.26 176.22 2kma h GLU 187 N 0.79 0.26 0.00 1.61 3.07 -1.98 -3.31 114.58 115.01 2kma h GLU 187 Ca -0.37 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.05 2kma h GLU 187 Cb 1.31 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 2kma h GLU 187 CO 0.59 1.13 0.00 -2.39 -1.40 0.00 0.00 179.01 176.93 2kma n HIS 188 N -3.46 0.00 -2.57 4.33 1.44 -1.26 -3.60 115.22 110.09 2kma n HIS 188 Ca -0.16 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.14 2kma n HIS 188 Cb 1.04 -0.20 -0.05 0.00 0.12 0.00 0.00 29.99 30.91 2kma n HIS 188 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2kma s GLU 189 N -2.39 4.69 -0.24 -1.40 0.41 -1.25 -4.93 118.70 113.59 2kma s GLU 189 Ca 0.30 1.68 -0.29 0.00 -0.41 0.00 0.00 54.97 56.25 2kma s GLU 189 Cb 0.18 -3.25 -0.02 0.00 -1.78 0.00 0.00 34.13 29.27 2kma s GLU 189 CO 0.38 0.26 1.47 0.99 -0.49 0.00 0.00 175.26 177.87 2kma s THR 190 N -0.88 3.91 -0.10 3.63 2.01 -1.22 -4.25 115.64 118.74 2kma s THR 190 Ca 0.45 1.03 -0.00 0.00 0.31 0.00 0.00 61.69 63.48 2kma s THR 190 Cb -0.29 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2kma s THR 190 CO 0.36 -0.34 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.11 2kma s LEU 191 N 4.70 3.06 -0.13 4.42 1.43 0.11 -1.36 118.68 130.92 2kma s LEU 191 Ca 0.64 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2kma s LEU 191 Cb -0.22 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2kma s LEU 191 CO 0.26 0.28 -0.12 -0.76 0.23 0.00 0.00 176.35 176.23 2kma s LEU 192 N -0.31 2.77 -0.25 1.79 1.43 0.11 -0.89 118.68 123.34 2kma s LEU 192 Ca 0.04 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2kma s LEU 192 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2kma s LEU 192 CO 0.02 0.17 1.06 -0.22 0.23 0.00 0.00 176.35 177.62 2kma s LEU 193 N 0.34 4.06 -0.02 1.79 0.20 -0.27 -2.53 118.68 122.24 2kma s LEU 193 Ca -0.10 1.31 0.05 0.00 0.69 0.00 0.00 54.13 56.08 2kma s LEU 193 Cb -0.16 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 2kma s LEU 193 CO 0.05 -0.73 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.08 2kma s ARG 194 N 3.34 2.32 -0.91 1.98 1.81 -0.97 -4.41 118.95 122.11 2kma s ARG 194 Ca 0.45 -0.81 -0.21 0.00 -1.72 0.00 0.00 55.73 53.44 2kma s ARG 194 Cb -0.15 -2.26 0.09 0.00 -0.45 0.00 0.00 34.95 32.18 2kma s ARG 194 CO 0.09 0.59 1.21 0.50 -0.68 0.00 0.00 175.30 177.01 2kma s ARG 195 N -0.89 3.50 0.14 3.54 3.52 -1.26 -0.63 118.95 126.87 2kma s ARG 195 Ca 0.12 -1.34 -0.18 0.00 -0.13 0.00 0.00 55.73 54.20 2kma s ARG 195 Cb -0.10 -4.91 -0.03 0.00 -1.56 0.00 0.00 34.95 28.35 2kma s ARG 195 CO 0.01 -1.93 1.78 -0.22 -0.81 0.00 0.00 175.30 174.14 2kma h LYS 196 N 9.30 0.41 -5.69 5.12 1.63 -0.50 -3.42 116.57 123.43 2kma h LYS 196 Ca 0.08 -0.03 -0.66 0.00 -0.85 0.00 0.00 60.65 59.19 2kma h LYS 196 Cb 1.03 -0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 32.50 2kma h LYS 196 CO 1.22 0.29 -0.48 -0.06 -3.45 0.00 0.00 179.45 176.98 2kma s PHE 197 N -6.10 3.59 -0.38 1.91 0.08 0.80 -5.02 117.98 112.85 2kma s PHE 197 Ca -0.13 0.50 0.06 0.00 0.12 0.00 0.00 56.93 57.48 2kma s PHE 197 Cb 0.10 -1.92 0.44 0.00 -0.57 0.00 0.00 43.02 41.06 2kma s PHE 197 CO 0.71 0.72 1.21 1.19 -0.10 0.00 0.00 175.22 178.95 2kma n PHE 198 N 1.74 3.05 0.32 0.36 3.72 -1.26 -4.56 117.46 120.83 2kma n PHE 198 Ca -0.18 -2.63 0.11 0.00 -0.05 0.00 0.00 57.45 54.71 2kma n PHE 198 Cb 0.54 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2kma n PHE 198 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2kma n TYR 199 N -0.62 0.42 -3.37 1.38 0.18 -1.26 -5.00 117.16 108.89 2kma n TYR 199 Ca 0.43 0.12 -0.16 0.00 1.88 0.00 0.00 57.90 60.17 2kma n TYR 199 Cb 0.81 -0.60 0.08 0.00 -0.38 0.00 0.00 39.34 39.25 2kma n TYR 199 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2kma n SER 200 N -2.23 -3.05 0.00 9.48 7.64 -1.26 -1.14 113.62 123.05 2kma n SER 200 Ca 0.00 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2kma n SER 200 Cb 0.50 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kma n ASP 201 N -3.13 -2.99 0.00 6.43 2.03 -1.26 -5.23 116.55 112.40 2kma n ASP 201 Ca -0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2kma n ASP 201 Cb 0.66 -2.31 0.00 0.00 -0.72 0.00 0.00 41.12 38.75 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95