#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma s ILE -4 N 0.00 5.23 -0.15 -0.61 1.10 -1.26 -5.08 121.20 120.42 2kma s ILE -4 Ca 0.00 0.12 -0.01 0.00 -0.51 0.00 0.00 60.65 60.25 2kma s ILE -4 Cb 0.00 -3.34 0.04 0.00 0.15 0.00 0.00 42.46 39.31 2kma s ILE -4 CO 0.00 0.50 -0.04 -1.81 -2.11 0.00 0.00 174.94 171.48 2kma s ASP -3 N -0.09 2.61 0.28 4.50 1.01 -1.26 -5.13 116.67 118.59 2kma s ASP -3 Ca 0.09 -0.57 -0.29 0.00 0.71 0.00 0.00 52.55 52.49 2kma s ASP -3 Cb -0.12 -0.81 -0.09 0.00 1.01 0.00 0.00 42.92 42.91 2kma s ASP -3 CO 0.00 -0.19 1.07 -2.16 0.21 0.00 0.00 175.17 174.10 2kma s PRO -2 N 1.71 4.65 -0.53 8.23 0.04 -1.26 -5.02 135.00 142.82 2kma s PRO -2 Ca 0.02 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2kma s PRO -2 Cb -0.15 -3.17 0.14 0.00 0.04 0.00 0.00 34.50 31.37 2kma s PRO -2 CO -0.07 0.24 0.30 -0.06 0.04 0.00 0.00 177.00 177.45 2kma s PHE -1 N -1.19 2.82 0.00 0.56 0.08 -1.26 -5.06 117.98 113.92 2kma s PHE -1 Ca 0.45 -2.95 0.00 0.00 0.12 0.00 0.00 56.93 54.54 2kma s PHE -1 Cb -0.30 -2.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.70 2kma s PHE -1 CO 0.39 -0.72 0.00 0.25 -0.10 0.00 0.00 175.22 175.04 2kma n THR 0 N 2.99 0.00 -1.06 0.64 -2.24 -1.26 -4.85 114.28 108.50 2kma n THR 0 Ca 0.10 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 2kma n THR 0 Cb 0.34 -1.70 -0.12 0.00 -2.10 0.00 0.00 70.33 66.76 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 0.00 2.48 -3.19 -0.78 1.56 -1.26 -4.26 117.12 111.67 2kma n MET 1 Ca 0.00 -1.36 -0.20 0.00 -0.27 0.00 0.00 57.70 55.87 2kma n MET 1 Cb 0.00 -2.25 -0.07 0.00 2.15 0.00 0.00 33.22 33.06 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 2.90 -0.84 -3.85 1.12 0.24 -1.26 -5.13 118.33 111.51 2kma n VAL 2 Ca 0.53 -2.71 -0.12 0.00 -2.04 0.00 0.00 64.34 60.00 2kma n VAL 2 Cb 0.66 -0.85 -0.14 0.00 -1.47 0.00 0.00 33.84 32.04 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 0.26 -0.08 -0.12 2.33 0.00 -1.26 -3.93 121.76 118.97 2kma s ALA 3 Ca 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 2kma s ALA 3 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2kma s ALA 3 CO -0.15 -0.02 -0.11 -0.51 0.00 0.00 0.00 175.76 174.96 2kma s LEU 4 N 0.10 2.86 -0.55 0.00 1.02 0.19 -4.78 118.68 117.51 2kma s LEU 4 Ca -0.01 -0.24 -0.20 0.00 0.02 0.00 0.00 54.13 53.70 2kma s LEU 4 Cb -0.01 -1.64 0.07 0.00 0.02 0.00 0.00 46.19 44.63 2kma s LEU 4 CO -0.00 0.21 0.70 -0.44 0.02 0.00 0.00 176.35 176.84 2kma s SER 5 N 0.09 6.21 -0.14 2.29 0.01 -1.26 -1.59 113.70 119.30 2kma s SER 5 Ca -0.04 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2kma s SER 5 Cb -0.14 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 2kma s SER 5 CO 0.04 -1.04 -0.15 -0.76 0.41 0.00 0.00 173.24 171.74 2kma s LEU 6 N 2.85 2.54 -0.35 2.44 1.43 0.18 -1.25 118.68 126.51 2kma s LEU 6 Ca 0.15 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 2kma s LEU 6 Cb -0.20 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2kma s LEU 6 CO 0.10 0.12 1.04 -0.54 0.23 0.00 0.00 176.35 177.30 2kma s LYS 7 N 0.64 3.97 -0.60 1.70 1.02 -1.02 -1.75 119.74 123.69 2kma s LYS 7 Ca -0.08 0.88 -0.22 0.00 0.02 0.00 0.00 55.97 56.57 2kma s LYS 7 Cb -0.16 -3.77 0.06 0.00 -0.52 0.00 0.00 37.83 33.45 2kma s LYS 7 CO 0.03 -0.96 0.88 0.42 -0.92 0.00 0.00 175.35 174.79 2kma s ILE 8 N 3.69 4.48 -0.44 2.17 -1.09 0.31 0.38 121.20 130.70 2kma s ILE 8 Ca 0.44 -0.29 -0.23 0.00 -2.23 0.00 0.00 60.65 58.33 2kma s ILE 8 Cb -0.12 -4.57 0.02 0.00 -1.58 0.00 0.00 42.46 36.22 2kma s ILE 8 CO 0.18 -1.24 0.76 -0.94 -1.23 0.00 0.00 174.94 172.48 2kma s SER 9 N 3.32 6.40 -0.68 3.58 1.04 -1.08 -0.51 113.70 125.76 2kma s SER 9 Ca 0.22 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 2kma s SER 9 Cb -0.17 -2.38 0.17 0.00 0.10 0.00 0.00 66.02 63.75 2kma s SER 9 CO 0.12 -0.89 0.51 -0.63 0.98 0.00 0.00 173.24 173.33 2kma s ILE 10 N 3.21 3.74 0.00 -1.02 1.01 0.88 -2.80 121.20 126.21 2kma s ILE 10 Ca 0.29 -3.26 0.00 0.00 0.00 0.00 0.00 60.65 57.67 2kma s ILE 10 Cb -0.12 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2kma s ILE 10 CO 0.22 -0.93 0.00 0.61 0.00 0.00 0.00 174.94 174.84 2kma n GLY 11 N 3.11 0.93 0.07 6.18 0.00 -1.26 -1.69 105.19 112.53 2kma n GLY 11 Ca 0.11 0.42 0.11 0.00 0.00 0.00 0.00 46.02 46.67 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 9.50 0.64 -4.86 1.61 0.23 -1.26 -4.93 115.26 116.19 2kma n ASN 12 Ca 0.00 0.10 -0.29 0.00 -0.53 0.00 0.00 54.58 53.86 2kma n ASN 12 Cb 0.00 0.74 -0.05 0.00 -2.08 0.00 0.00 39.78 38.39 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kma s VAL 13 N -3.31 4.96 -0.12 3.53 0.11 -0.68 -5.10 120.40 119.78 2kma s VAL 13 Ca 0.00 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2kma s VAL 13 Cb 0.12 -3.47 0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2kma s VAL 13 CO 0.80 0.03 -0.07 0.54 -3.33 0.00 0.00 175.10 173.07 2kma s VAL 14 N -1.58 1.00 0.05 2.04 0.11 -1.26 -0.08 120.40 120.67 2kma s VAL 14 Ca 0.33 -0.32 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 2kma s VAL 14 Cb -0.12 -1.05 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 2kma s VAL 14 CO 0.26 0.32 -0.19 -0.54 -3.33 0.00 0.00 175.10 171.62 2kma s LYS 15 N 1.71 2.01 -0.24 1.54 -0.14 0.33 -4.94 119.74 120.01 2kma s LYS 15 Ca 0.04 -1.02 -0.07 0.00 -1.36 0.00 0.00 55.97 53.57 2kma s LYS 15 Cb -0.13 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 2kma s LYS 15 CO -0.08 0.53 0.05 0.99 -0.76 0.00 0.00 175.35 176.08 2kma s THR 16 N -0.94 4.17 0.07 2.17 2.01 -1.26 0.11 115.64 121.97 2kma s THR 16 Ca 0.15 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2kma s THR 16 Cb -0.10 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2kma s THR 16 CO 0.06 0.36 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.20 2kma s MET 17 N 1.47 0.74 -0.07 4.92 -1.94 -0.72 -4.97 119.30 118.73 2kma s MET 17 Ca 0.06 -0.93 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 2kma s MET 17 Cb -0.15 -0.61 -0.02 0.00 2.01 0.00 0.00 34.83 36.05 2kma s MET 17 CO 0.02 0.12 -0.12 -0.65 -0.01 0.00 0.00 175.02 174.39 2kma s GLN 18 N -1.89 2.73 0.16 2.03 -0.21 -1.26 -0.65 119.66 120.58 2kma s GLN 18 Ca -0.03 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.75 2kma s GLN 18 Cb -0.09 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2kma s GLN 18 CO 0.01 0.56 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.56 2kma s PHE 19 N -0.55 1.44 0.32 0.91 0.08 -0.62 -4.87 117.98 114.69 2kma s PHE 19 Ca 0.08 -0.65 -0.27 0.00 0.12 0.00 0.00 56.93 56.21 2kma s PHE 19 Cb -0.12 -0.71 -0.09 0.00 -0.57 0.00 0.00 43.02 41.53 2kma s PHE 19 CO 0.02 0.19 1.01 -1.21 -0.10 0.00 0.00 175.22 175.12 2kma s GLU 20 N -3.43 4.53 0.57 0.44 2.02 -1.26 0.55 118.70 122.12 2kma s GLU 20 Ca 0.16 1.51 0.30 0.00 0.02 0.00 0.00 54.97 56.96 2kma s GLU 20 Cb -0.00 -2.90 1.46 0.00 0.10 0.00 0.00 34.13 32.78 2kma s GLU 20 CO 0.03 0.19 1.88 -1.00 0.02 0.00 0.00 175.26 176.38 2kma h PRO 21 N 3.30 0.00 -0.50 0.39 0.13 -1.91 0.20 132.00 133.61 2kma h PRO 21 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kma h PRO 21 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kma h PRO 21 CO 0.65 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.85 2kma n SER 22 N -3.92 3.94 0.02 1.44 7.64 -1.26 -3.37 113.62 118.11 2kma n SER 22 Ca 0.13 -2.35 -0.12 0.00 1.01 0.00 0.00 58.87 57.54 2kma n SER 22 Cb 0.80 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 2kma n SER 22 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kma h THR 23 N 3.07 1.03 -0.66 0.44 2.02 -0.96 -3.49 112.91 114.36 2kma h THR 23 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2kma h THR 23 Cb 1.17 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2kma h THR 23 CO 0.13 0.02 -0.16 0.80 0.37 0.00 0.00 175.52 176.68 2kma n MET 24 N -5.05 -0.81 -0.32 6.66 1.56 -1.26 -4.16 117.12 113.73 2kma n MET 24 Ca -0.06 0.60 0.02 0.00 -0.27 0.00 0.00 57.70 57.99 2kma n MET 24 Cb 0.04 -0.68 0.09 0.00 2.15 0.00 0.00 33.22 34.82 2kma n MET 24 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2kma h VAL 25 N 0.28 0.09 -0.48 1.12 2.07 -1.78 0.14 116.25 117.70 2kma h VAL 25 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kma h VAL 25 Cb 0.01 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 2kma h VAL 25 CO 0.00 0.00 0.31 0.10 0.02 0.00 0.00 177.57 178.00 2kma h TYR 26 N -0.02 0.60 0.06 1.57 -0.00 -1.86 0.14 116.97 117.46 2kma h TYR 26 Ca 0.39 0.01 -0.26 0.00 0.00 0.00 0.00 58.73 58.87 2kma h TYR 26 Cb 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 36.73 37.17 2kma h TYR 26 CO -0.73 0.38 -1.10 0.22 -0.00 0.00 0.00 178.16 176.94 2kma h ASP 27 N 0.65 0.61 -0.50 0.10 3.58 -1.17 -3.12 116.42 116.56 2kma h ASP 27 Ca 0.17 -0.55 0.02 0.00 0.42 0.00 0.00 57.03 57.09 2kma h ASP 27 Cb -0.07 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.76 2kma h ASP 27 CO -0.04 1.37 0.32 0.00 -2.88 0.00 0.00 179.24 178.01 2kma h ALA 28 N 0.57 0.64 -0.87 -0.78 0.00 -0.39 -2.92 119.26 115.52 2kma h ALA 28 Ca -0.12 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.87 2kma h ALA 28 Cb 1.76 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 2kma h ALA 28 CO 0.19 0.04 0.51 0.00 0.00 0.00 0.00 179.25 179.99 2kma h ARG 30 N 0.83 0.69 0.01 0.00 0.11 -1.46 -2.86 114.38 111.71 2kma h ARG 30 Ca 0.42 -0.37 -0.15 0.00 0.10 0.00 0.00 59.98 59.98 2kma h ARG 30 Cb 0.40 0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.51 2kma h ARG 30 CO -0.26 0.99 -0.61 0.52 0.10 0.00 0.00 179.97 180.71 2kma h MET 31 N 0.56 0.39 -0.35 0.08 2.86 -1.25 -3.15 114.93 114.07 2kma h MET 31 Ca 0.04 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 2kma h MET 31 Cb 0.97 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2kma h MET 31 CO 0.09 1.11 0.19 0.97 1.06 0.00 0.00 176.91 180.33 2kma h ILE 32 N -0.15 1.15 -0.09 -1.22 2.10 -0.84 -0.96 117.51 117.48 2kma h ILE 32 Ca -0.08 -0.39 0.03 0.00 1.08 0.00 0.00 64.86 65.50 2kma h ILE 32 Cb 1.33 0.77 -0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2kma h ILE 32 CO 0.12 0.15 0.10 0.03 -1.08 0.00 0.00 178.15 177.47 2kma h ARG 33 N 0.44 0.00 0.61 2.19 3.08 -1.63 0.17 114.38 119.24 2kma h ARG 33 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2kma h ARG 33 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kma h ARG 33 CO -0.02 0.00 -0.29 1.49 -1.07 0.00 0.00 179.97 180.08 2kma h GLU 34 N 0.00 -0.78 0.10 0.04 4.57 -1.13 -3.37 114.58 114.01 2kma h GLU 34 Ca 0.04 0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 57.99 2kma h GLU 34 Cb 0.24 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2kma h GLU 34 CO -0.00 -0.52 -1.46 0.07 -1.18 0.00 0.00 179.01 175.91 2kma h ARG 35 N -1.19 0.21 -4.38 1.92 -0.00 -1.44 -3.43 114.38 106.08 2kma h ARG 35 Ca -0.08 -0.36 -0.73 0.00 -0.00 0.00 0.00 59.98 58.81 2kma h ARG 35 Cb 0.62 0.13 -0.24 0.00 -0.00 0.00 0.00 29.97 30.49 2kma h ARG 35 CO 0.14 1.07 -0.39 0.42 -0.00 0.00 0.00 179.97 181.21 2kma s ILE 36 N -2.63 4.95 -0.09 0.08 1.01 0.59 -4.93 121.20 120.19 2kma s ILE 36 Ca -0.07 -1.08 0.30 0.00 0.00 0.00 0.00 60.65 59.79 2kma s ILE 36 Cb 0.07 -3.93 0.37 0.00 0.01 0.00 0.00 42.46 38.98 2kma s ILE 36 CO 0.85 -0.51 1.86 -0.65 0.00 0.00 0.00 174.94 176.49 2kma h PRO 37 N 8.63 0.00 0.00 2.79 0.11 -1.81 -2.97 132.00 138.75 2kma h PRO 37 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 2kma h PRO 37 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2kma h PRO 37 CO 0.82 0.00 -0.27 0.93 -0.21 0.00 0.00 178.00 179.27 2kma h GLU 38 N 0.00 0.00 -0.25 1.05 3.07 -1.93 -3.12 114.58 113.40 2kma h GLU 38 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kma h GLU 38 Cb 0.67 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 2kma h GLU 38 CO 0.00 0.27 0.15 0.00 -1.40 0.00 0.00 179.01 178.03 2kma h ALA 39 N 1.73 0.32 -0.46 3.43 0.00 -1.84 -2.88 119.26 119.55 2kma h ALA 39 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2kma h ALA 39 Cb 0.77 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 2kma h ALA 39 CO 0.04 -0.18 0.36 1.47 0.00 0.00 0.00 179.25 180.93 2kma n LEU 40 N -4.88 5.60 -1.74 0.00 -0.00 -1.18 -4.71 117.00 110.10 2kma n LEU 40 Ca -0.02 -2.88 0.00 0.00 -0.00 0.00 0.00 56.01 53.10 2kma n LEU 40 Cb 0.05 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 2kma n LEU 40 CO 0.34 0.99 0.46 0.00 -0.00 0.00 0.00 177.39 179.19 2kma n ALA 41 N 0.06 2.65 0.00 1.47 0.00 -1.09 -4.59 120.51 119.00 2kma n ALA 41 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kma n ALA 41 Cb 0.81 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.73 -0.82 3.49 0.00 0.00 -1.26 -5.06 105.19 103.26 2kma n GLY 42 Ca 0.00 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2kma n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kma s PRO 43 N -0.08 3.25 0.00 1.61 0.04 -1.26 -4.93 135.00 133.63 2kma s PRO 43 Ca 0.00 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.53 2kma s PRO 43 Cb 0.00 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2kma s PRO 43 CO 0.00 -1.47 0.37 -0.35 0.04 0.00 0.00 177.00 175.59 2kma n PRO 44 N 7.18 0.63 -0.01 0.56 -0.04 -1.26 -2.41 135.00 139.66 2kma n PRO 44 Ca -0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2kma n PRO 44 Cb 0.47 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 2kma n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kma n ASN 45 N 0.27 0.76 -0.67 3.54 3.02 -1.26 -4.24 115.26 116.68 2kma n ASN 45 Ca 0.00 -0.06 0.06 0.00 -0.03 0.00 0.00 54.58 54.55 2kma n ASN 45 Cb 0.19 1.79 0.15 0.00 -0.61 0.00 0.00 39.78 41.30 2kma n ASN 45 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kma n ASP 46 N -2.10 2.86 -4.65 6.41 5.68 -1.01 -4.96 116.55 118.78 2kma n ASP 46 Ca -0.03 -1.92 -0.38 0.00 -0.50 0.00 0.00 54.79 51.96 2kma n ASP 46 Cb 0.47 -0.21 -0.08 0.00 -1.14 0.00 0.00 41.12 40.15 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2kma s PHE 47 N -1.00 3.32 0.04 2.11 0.40 -1.25 -0.33 117.98 121.26 2kma s PHE 47 Ca 0.24 0.45 0.01 0.00 -0.60 0.00 0.00 56.93 57.02 2kma s PHE 47 Cb 0.13 -2.47 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 2kma s PHE 47 CO 0.17 -0.05 0.03 0.41 0.70 0.00 0.00 175.22 176.48 2kma n GLY 48 N 4.24 3.95 3.40 4.36 0.00 0.34 -4.87 105.19 116.61 2kma n GLY 48 Ca -0.10 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 4.79 -0.18 0.99 1.43 -1.26 -1.77 118.68 122.69 2kma s LEU 49 Ca 0.04 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 2kma s LEU 49 Cb 0.00 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2kma s LEU 49 CO 0.03 -0.39 0.22 0.12 0.23 0.00 0.00 176.35 176.56 2kma s PHE 50 N 1.59 3.44 -0.35 0.29 5.36 0.71 0.52 117.98 129.54 2kma s PHE 50 Ca 0.03 0.48 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 2kma s PHE 50 Cb -0.19 -2.27 -0.00 0.00 -0.34 0.00 0.00 43.02 40.22 2kma s PHE 50 CO 0.08 0.25 0.54 -1.17 -1.46 0.00 0.00 175.22 173.46 2kma s LEU 51 N 0.44 4.32 -0.30 6.12 1.98 0.28 0.19 118.68 131.71 2kma s LEU 51 Ca 0.13 0.03 -0.27 0.00 -2.89 0.00 0.00 54.13 51.12 2kma s LEU 51 Cb -0.12 -2.63 0.01 0.00 0.66 0.00 0.00 46.19 44.11 2kma s LEU 51 CO 0.01 -0.50 0.98 -0.94 -1.89 0.00 0.00 176.35 174.02 2kma s SER 52 N 1.76 6.87 -0.03 3.68 1.04 -1.17 -3.08 113.70 122.76 2kma s SER 52 Ca 0.20 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.57 2kma s SER 52 Cb -0.15 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 2kma s SER 52 CO 0.13 -0.77 -0.07 -0.67 0.98 0.00 0.00 173.24 172.84 2kma n ASP 53 N 6.60 0.41 0.00 7.02 -0.08 -1.26 -4.64 116.55 124.60 2kma n ASP 53 Ca 0.09 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2kma n ASP 53 Cb 0.47 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.45 2kma n ASP 53 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kma n ASP 54 N -2.91 0.00 -4.48 1.67 2.03 -1.26 -5.06 116.55 106.53 2kma n ASP 54 Ca -0.03 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.96 2kma n ASP 54 Cb 0.10 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.00 4.01 0.55 1.67 2.15 -1.26 -5.02 116.67 118.77 2kma s ASP 55 Ca 0.00 -0.25 0.29 0.00 0.43 0.00 0.00 52.55 53.02 2kma s ASP 55 Cb 0.00 -0.80 1.46 0.00 -0.30 0.00 0.00 42.92 43.28 2kma s ASP 55 CO 0.00 0.32 1.93 1.55 -0.17 0.00 0.00 175.17 178.80 2kma h PRO 56 N 5.07 0.00 0.00 4.34 0.13 -1.94 0.19 132.00 139.79 2kma h PRO 56 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2kma h PRO 56 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kma h PRO 56 CO 0.50 0.00 -0.16 0.87 -0.23 0.00 0.00 178.00 178.98 2kma h LYS 57 N 0.00 0.00 0.00 0.86 1.79 -1.96 -3.17 116.57 114.09 2kma h LYS 57 Ca 0.31 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.46 2kma h LYS 57 Cb 1.32 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.92 2kma h LYS 57 CO -0.00 0.16 -2.19 1.63 -1.08 0.00 0.00 179.45 177.97 2kma n LYS 58 N -3.23 0.67 -1.77 3.15 4.01 0.49 -4.93 118.16 116.55 2kma n LYS 58 Ca 0.01 0.04 -0.39 0.00 -0.51 0.00 0.00 58.31 57.46 2kma n LYS 58 Cb 0.46 -1.58 0.03 0.00 -0.51 0.00 0.00 35.03 33.43 2kma n LYS 58 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2kma s GLY 59 N -5.30 2.91 0.05 0.72 0.00 -0.11 -4.82 107.32 100.76 2kma s GLY 59 Ca -0.09 1.44 0.01 0.00 0.00 0.00 0.00 44.72 46.09 2kma s GLY 59 CO 0.83 2.03 -0.06 -0.26 0.00 0.00 0.00 173.10 175.65 2kma s ILE 60 N -1.23 0.43 -0.21 0.90 -4.36 -1.18 -4.95 121.20 110.61 2kma s ILE 60 Ca 0.65 -1.40 -0.12 0.00 -0.26 0.00 0.00 60.65 59.52 2kma s ILE 60 Cb -0.43 -0.98 -0.05 0.00 1.25 0.00 0.00 42.46 42.26 2kma s ILE 60 CO 0.54 -0.65 0.24 0.26 0.24 0.00 0.00 174.94 175.57 2kma s TRP 61 N -2.43 3.38 -0.57 1.37 0.52 -1.26 -0.56 118.94 119.39 2kma s TRP 61 Ca -0.03 0.42 -0.24 0.00 0.02 0.00 0.00 56.10 56.27 2kma s TRP 61 Cb -0.03 -2.32 0.05 0.00 -1.15 0.00 0.00 33.47 30.02 2kma s TRP 61 CO -0.03 0.14 0.93 -0.51 0.02 0.00 0.00 176.95 177.49 2kma s LEU 62 N 0.83 4.19 0.57 2.99 1.43 0.18 -4.97 118.68 123.90 2kma s LEU 62 Ca 0.12 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2kma s LEU 62 Cb -0.13 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2kma s LEU 62 CO 0.04 -1.24 0.93 -1.83 0.23 0.00 0.00 176.35 174.48 2kma s GLU 63 N 3.90 3.52 0.00 1.70 -1.05 -1.26 -4.10 118.70 121.42 2kma s GLU 63 Ca 0.28 0.50 0.14 0.00 -0.15 0.00 0.00 54.97 55.74 2kma s GLU 63 Cb -0.14 -2.20 0.82 0.00 -0.44 0.00 0.00 34.13 32.18 2kma s GLU 63 CO 0.17 -0.45 1.31 0.00 0.95 0.00 0.00 175.26 177.24 2kma n ALA 64 N -2.56 2.25 0.12 -0.84 0.00 -1.26 -2.98 120.51 115.24 2kma n ALA 64 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2kma n ALA 64 Cb 0.55 -1.22 0.27 0.00 0.00 0.00 0.00 19.45 19.04 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 0.27 1.77 3.44 0.00 0.00 -1.26 -4.64 105.19 104.77 2kma n GLY 65 Ca 0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.22 1.27 0.64 1.61 0.00 -1.16 -5.14 119.74 115.74 2kma s LYS 66 Ca 0.40 -0.94 -0.03 0.00 0.00 0.00 0.00 55.97 55.40 2kma s LYS 66 Cb 0.21 0.47 0.05 0.00 0.00 0.00 0.00 37.83 38.56 2kma s LYS 66 CO 0.27 -0.51 0.92 0.00 0.00 0.00 0.00 175.35 176.03 2kma s ALA 67 N -3.89 3.47 -0.07 0.59 0.00 -1.26 -3.68 121.76 116.93 2kma s ALA 67 Ca 0.11 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 2kma s ALA 67 Cb 0.01 -2.38 -0.14 0.00 0.00 0.00 0.00 23.12 20.60 2kma s ALA 67 CO -0.03 -1.08 0.75 -0.07 0.00 0.00 0.00 175.76 175.33 2kma h LEU 68 N -0.32 -0.16 -1.25 0.00 3.38 -1.88 -3.27 115.31 111.80 2kma h LEU 68 Ca -0.43 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2kma h LEU 68 Cb 1.31 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2kma h LEU 68 CO 0.57 0.42 0.00 -0.78 0.09 0.00 0.00 178.44 178.74 2kma h ASP 69 N -0.91 0.00 -0.84 -0.43 3.58 -1.73 -2.29 116.42 113.79 2kma h ASP 69 Ca -0.02 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.55 2kma h ASP 69 Cb 0.51 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 2kma h ASP 69 CO 0.03 0.00 0.55 0.22 -2.88 0.00 0.00 179.24 177.16 2kma h TYR 70 N 0.00 0.81 -0.04 0.28 3.20 -1.83 -3.41 116.97 115.98 2kma h TYR 70 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2kma h TYR 70 Cb 0.25 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2kma h TYR 70 CO 0.00 0.34 0.00 0.66 -1.64 0.00 0.00 178.16 177.52 2kma n TYR 71 N -4.53 0.00 -0.42 -3.82 4.01 -0.86 -4.98 117.16 106.56 2kma n TYR 71 Ca 0.15 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.99 2kma n TYR 71 Cb 0.39 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.70 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 3.04 -3.74 -0.72 2.81 -1.26 -4.97 117.12 112.28 2kma n MET 72 Ca 0.00 -2.57 -0.37 0.00 -1.81 0.00 0.00 57.70 52.95 2kma n MET 72 Cb 0.00 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 30.86 2kma n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kma s LEU 73 N -1.32 4.35 0.00 4.03 2.34 -1.26 -5.00 118.68 121.82 2kma s LEU 73 Ca 0.42 0.52 0.00 0.00 0.06 0.00 0.00 54.13 55.13 2kma s LEU 73 Cb 0.24 -2.20 0.00 0.00 -0.56 0.00 0.00 46.19 43.67 2kma s LEU 73 CO 0.25 0.31 0.00 0.54 -1.06 0.00 0.00 176.35 176.39 2kma n ARG 74 N 2.45 0.00 -1.89 1.48 1.74 -1.26 -4.27 116.66 114.91 2kma n ARG 74 Ca -0.17 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.53 2kma n ARG 74 Cb 0.54 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.95 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2kma s ASN 75 N 1.38 5.07 0.00 0.55 0.01 -1.26 -2.87 114.94 117.82 2kma s ASN 75 Ca 0.00 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 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 -2.48 0.00 0.61 -1.51 0.00 0.00 177.10 173.72 2kma n GLY 76 N 5.77 2.31 3.78 0.66 0.00 -0.38 -4.86 105.19 112.46 2kma n GLY 76 Ca 0.25 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 5.71 -0.09 1.61 1.01 -1.14 -4.74 116.67 119.03 2kma s ASP 77 Ca 0.00 2.15 -0.13 0.00 0.71 0.00 0.00 52.55 55.27 2kma s ASP 77 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2kma s ASP 77 CO 0.00 -1.22 0.32 -0.89 0.21 0.00 0.00 175.17 173.58 2kma s THR 78 N -1.83 5.24 -0.19 -1.27 2.01 -1.26 -2.44 115.64 115.89 2kma s THR 78 Ca 0.72 0.61 -0.01 0.00 0.31 0.00 0.00 61.69 63.32 2kma s THR 78 Cb -0.23 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.70 2kma s THR 78 CO 0.28 0.50 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.35 2kma s MET 79 N -0.35 1.25 -0.11 4.92 1.75 0.16 -3.06 119.30 123.86 2kma s MET 79 Ca 0.19 -0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 2kma s MET 79 Cb -0.14 -2.13 -0.01 0.00 2.84 0.00 0.00 34.83 35.38 2kma s MET 79 CO 0.08 -0.52 1.06 -2.00 -0.65 0.00 0.00 175.02 172.99 2kma s GLU 80 N 1.64 4.38 -0.50 4.11 2.12 0.13 -2.63 118.70 127.96 2kma s GLU 80 Ca -0.01 1.46 -0.17 0.00 0.36 0.00 0.00 54.97 56.61 2kma s GLU 80 Cb -0.16 -3.56 0.08 0.00 0.26 0.00 0.00 34.13 30.74 2kma s GLU 80 CO -0.07 -0.39 0.49 -0.47 -0.54 0.00 0.00 175.26 174.27 2kma s TYR 81 N 2.23 3.18 0.32 5.30 5.04 -1.12 -0.20 117.35 132.09 2kma s TYR 81 Ca 0.50 -0.89 0.04 0.00 -2.44 0.00 0.00 57.07 54.28 2kma s TYR 81 Cb -0.19 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 38.68 2kma s TYR 81 CO 0.17 -0.92 0.17 -0.98 -1.34 0.00 0.00 175.55 172.65 2kma s ARG 82 N 1.95 1.65 0.06 4.97 1.70 -0.73 -4.58 118.95 123.97 2kma s ARG 82 Ca 0.07 -1.95 -0.31 0.00 -0.47 0.00 0.00 55.73 53.08 2kma s ARG 82 Cb -0.24 -0.10 -0.08 0.00 -0.57 0.00 0.00 34.95 33.96 2kma s ARG 82 CO 0.07 -0.47 1.56 0.21 -1.08 0.00 0.00 175.30 175.59 2kma s LYS 83 N -3.77 4.23 0.53 3.89 2.20 -1.26 -0.51 119.74 125.06 2kma s LYS 83 Ca 0.35 2.21 0.27 0.00 -0.36 0.00 0.00 55.97 58.44 2kma s LYS 83 Cb 0.04 -3.55 1.52 0.00 -1.51 0.00 0.00 37.83 34.33 2kma s LYS 83 CO 0.18 -0.66 2.12 0.87 -0.36 0.00 0.00 175.35 177.49 2kma h LYS 84 N 8.01 0.00 -6.31 4.03 1.57 -0.99 -3.43 116.57 119.45 2kma h LYS 84 Ca -0.41 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.81 2kma h LYS 84 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2kma h LYS 84 CO 0.92 0.09 -0.09 -0.65 -0.57 0.00 0.00 179.45 179.15 2kma s GLN 85 N -4.36 3.98 0.20 3.15 -0.21 -1.26 0.58 119.66 121.73 2kma s GLN 85 Ca -0.04 0.48 0.11 0.00 0.02 0.00 0.00 55.36 55.94 2kma s GLN 85 Cb 0.14 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2kma s GLN 85 CO 0.58 0.49 -0.22 -0.98 -2.12 0.00 0.00 175.29 173.04 2kma s ARG 86 N -1.93 1.48 -0.39 2.91 1.04 0.10 -4.78 118.95 117.39 2kma s ARG 86 Ca 0.37 -1.53 -0.28 0.00 -1.04 0.00 0.00 55.73 53.26 2kma s ARG 86 Cb -0.15 -1.72 -0.03 0.00 -2.04 0.00 0.00 34.95 31.01 2kma s ARG 86 CO 0.19 0.36 2.01 -1.25 -0.04 0.00 0.00 175.30 176.57 2kma s PRO 87 N -2.80 2.94 -0.31 3.89 0.04 -1.26 -3.01 135.00 134.49 2kma s PRO 87 Ca 0.21 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2kma s PRO 87 Cb -0.07 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 2kma s PRO 87 CO 0.10 -2.32 0.19 -0.51 0.04 0.00 0.00 177.00 174.50 2kma s LEU 88 N 8.53 4.21 -0.33 -3.56 1.43 -1.00 -4.65 118.68 123.31 2kma s LEU 88 Ca 0.85 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.43 2kma s LEU 88 Cb -0.22 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2kma s LEU 88 CO 0.30 -0.16 0.59 -0.54 0.23 0.00 0.00 176.35 176.77 2kma s LYS 89 N 1.70 3.78 -0.04 1.70 3.01 -1.26 -2.09 119.74 126.54 2kma s LYS 89 Ca 0.06 0.12 0.05 0.00 -1.01 0.00 0.00 55.97 55.19 2kma s LYS 89 Cb -0.17 -3.76 -0.01 0.00 -1.01 0.00 0.00 37.83 32.88 2kma s LYS 89 CO 0.09 -0.62 -0.19 0.42 0.51 0.00 0.00 175.35 175.55 2kma s ILE 90 N 2.57 1.59 -0.18 2.17 -1.09 0.58 0.27 121.20 127.10 2kma s ILE 90 Ca 0.23 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2kma s ILE 90 Cb -0.15 -1.34 -0.02 0.00 -1.58 0.00 0.00 42.46 39.37 2kma s ILE 90 CO 0.13 0.45 -0.04 -0.60 -1.23 0.00 0.00 174.94 173.65 2kma s ARG 91 N -0.17 3.54 0.80 2.79 3.52 -0.90 -0.08 118.95 128.44 2kma s ARG 91 Ca 0.00 -0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 54.93 2kma s ARG 91 Cb -0.11 -2.95 0.11 0.00 -1.56 0.00 0.00 34.95 30.44 2kma s ARG 91 CO 0.01 0.06 1.14 -1.64 -0.81 0.00 0.00 175.30 174.06 2kma s MET 92 N 0.84 1.71 0.36 5.12 -1.94 0.27 -3.14 119.30 122.51 2kma s MET 92 Ca -0.01 -0.24 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 2kma s MET 92 Cb -0.15 -2.03 0.66 0.00 2.01 0.00 0.00 34.83 35.32 2kma s MET 92 CO 0.02 -1.65 1.99 -0.07 -0.01 0.00 0.00 175.02 175.29 2kma h LEU 93 N -1.00 0.65 -1.92 -0.03 -0.00 -1.87 0.27 115.31 111.42 2kma h LEU 93 Ca -0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2kma h LEU 93 Cb 1.30 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2kma h LEU 93 CO 0.55 0.51 0.00 -0.78 -0.00 0.00 0.00 178.44 178.73 2kma h ASP 94 N 0.75 0.00 0.00 -0.43 3.58 -2.00 -3.45 116.42 114.87 2kma h ASP 94 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kma h ASP 94 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kma h ASP 94 CO -0.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 2kma n GLY 95 N -0.64 1.05 3.72 -0.78 0.00 0.95 -5.08 105.19 104.42 2kma n GLY 95 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 5.13 -0.08 2.61 2.01 -1.22 -4.79 115.64 117.30 2kma s THR 96 Ca 0.00 1.12 -0.00 0.00 0.31 0.00 0.00 61.69 63.12 2kma s THR 96 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2kma s THR 96 CO 0.00 0.31 -0.04 0.54 -0.69 0.00 0.00 174.62 174.74 2kma s VAL 97 N 0.61 3.93 0.06 3.82 0.11 -1.26 0.95 120.40 128.62 2kma s VAL 97 Ca 0.30 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2kma s VAL 97 Cb -0.16 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 2kma s VAL 97 CO 0.13 0.60 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.86 2kma s LYS 98 N -0.77 0.61 -0.23 1.54 -2.85 0.88 -4.96 119.74 113.97 2kma s LYS 98 Ca 0.12 -1.08 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 2kma s LYS 98 Cb -0.11 0.00 0.04 0.00 -2.06 0.00 0.00 37.83 35.70 2kma s LYS 98 CO 0.02 -0.05 -0.14 0.99 0.10 0.00 0.00 175.35 176.27 2kma s THR 99 N -3.05 2.05 0.09 3.79 2.01 -1.26 -0.31 115.64 118.96 2kma s THR 99 Ca 0.02 -1.32 0.09 0.00 0.31 0.00 0.00 61.69 60.79 2kma s THR 99 Cb 0.02 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2kma s THR 99 CO -0.05 0.18 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.30 2kma s ILE 100 N 1.21 2.00 -0.42 1.82 -1.16 -0.89 -4.90 121.20 118.85 2kma s ILE 100 Ca -0.03 -1.55 -0.21 0.00 -0.51 0.00 0.00 60.65 58.34 2kma s ILE 100 Cb -0.17 -1.76 0.02 0.00 0.61 0.00 0.00 42.46 41.15 2kma s ILE 100 CO -0.08 0.11 0.68 -0.04 -2.81 0.00 0.00 174.94 172.81 2kma s MET 101 N -1.74 3.43 -0.06 3.50 -1.94 -1.26 -2.37 119.30 118.87 2kma s MET 101 Ca 0.10 -0.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.98 2kma s MET 101 Cb -0.10 -3.91 -0.01 0.00 2.01 0.00 0.00 34.83 32.83 2kma s MET 101 CO 0.04 -0.96 -0.25 0.08 -0.01 0.00 0.00 175.02 173.92 2kma s VAL 102 N 2.93 2.03 0.18 -6.03 1.01 -1.16 -4.83 120.40 114.53 2kma s VAL 102 Ca 0.25 -1.06 -0.33 0.00 0.00 0.00 0.00 61.98 60.85 2kma s VAL 102 Cb -0.14 -1.72 -0.15 0.00 0.00 0.00 0.00 36.38 34.38 2kma s VAL 102 CO 0.19 0.56 1.35 0.47 0.00 0.00 0.00 175.10 177.67 2kma n ASP 103 N 2.95 2.20 -0.00 3.32 9.92 -1.26 -0.72 116.55 132.96 2kma n ASP 103 Ca -0.17 1.13 0.13 0.00 -0.53 0.00 0.00 54.79 55.34 2kma n ASP 103 Cb 0.52 -1.33 0.45 0.00 -0.64 0.00 0.00 41.12 40.13 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kma n ASP 104 N 2.39 0.24 -1.55 -2.24 2.03 0.20 -4.15 116.55 113.46 2kma n ASP 104 Ca 0.15 0.12 -0.05 0.00 0.52 0.00 0.00 54.79 55.53 2kma n ASP 104 Cb 0.27 -0.15 0.01 0.00 -0.72 0.00 0.00 41.12 40.53 2kma n ASP 104 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kma n SER 105 N -1.48 5.34 -0.86 1.67 7.64 -1.26 -4.68 113.62 119.99 2kma n SER 105 Ca 0.07 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.40 2kma n SER 105 Cb 0.34 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.06 0.00 -1.89 1.43 2.85 -1.26 -5.09 118.16 115.26 2kma n LYS 106 Ca 0.08 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.30 2kma n LYS 106 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 2kma n LYS 106 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2kma n THR 107 N 0.00 0.00 0.23 0.58 -2.24 -1.26 -3.53 114.28 108.06 2kma n THR 107 Ca 0.00 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2kma n THR 107 Cb 0.00 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.49 0.35 -0.73 2.28 2.07 -1.87 -2.80 116.25 116.04 2kma h VAL 108 Ca -0.06 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.09 2kma h VAL 108 Cb 0.23 0.52 -0.14 0.00 -1.52 0.00 0.00 31.29 30.39 2kma h VAL 108 CO 0.10 0.06 -0.15 0.74 0.02 0.00 0.00 177.57 178.34 2kma h THR 109 N -1.00 0.28 -0.28 2.57 2.02 -1.94 0.23 112.91 114.80 2kma h THR 109 Ca -0.06 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 2kma h THR 109 Cb 0.58 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2kma h THR 109 CO 0.10 0.00 -0.25 -0.78 0.37 0.00 0.00 175.52 174.97 2kma h ASP 110 N 0.02 0.54 -0.13 4.18 3.58 -1.95 -1.16 116.42 121.49 2kma h ASP 110 Ca 0.36 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 2kma h ASP 110 Cb 0.57 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kma h ASP 110 CO -0.74 0.78 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.38 2kma h MET 111 N 0.47 0.23 -0.82 0.28 4.05 -0.82 -2.71 114.93 115.62 2kma h MET 111 Ca 0.07 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2kma h MET 111 Cb 0.69 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.43 2kma h MET 111 CO 0.05 0.48 0.48 1.25 0.23 0.00 0.00 176.91 179.40 2kma h LEU 112 N -0.04 0.99 -1.30 3.39 5.85 -0.33 0.19 115.31 124.06 2kma h LEU 112 Ca 0.04 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2kma h LEU 112 Cb 0.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2kma h LEU 112 CO 0.01 0.77 0.48 -0.03 -0.34 0.00 0.00 178.44 179.33 2kma h MET 113 N 1.13 0.92 -0.14 1.25 4.05 -1.17 0.13 114.93 121.09 2kma h MET 113 Ca 0.29 -0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.46 2kma h MET 113 Cb -0.02 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.57 2kma h MET 113 CO -0.05 0.61 -0.70 1.15 0.23 0.00 0.00 176.91 178.14 2kma h THR 114 N 0.94 1.32 -0.02 -0.77 2.02 -0.80 -3.09 112.91 112.52 2kma h THR 114 Ca 0.28 -1.98 -0.12 0.00 0.77 0.00 0.00 66.41 65.36 2kma h THR 114 Cb -0.03 1.96 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2kma h THR 114 CO -0.07 0.62 -0.45 0.40 0.37 0.00 0.00 175.52 176.39 2kma h ILE 115 N 0.44 1.46 -0.51 3.11 2.04 -0.21 -3.22 117.51 120.63 2kma h ILE 115 Ca -0.03 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.86 2kma h ILE 115 Cb 1.29 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.94 2kma h ILE 115 CO 0.13 0.56 0.32 0.00 0.00 0.00 0.00 178.15 179.17 2kma h ALA 117 N 1.66 1.32 -0.51 0.00 0.00 -1.56 0.14 119.26 120.32 2kma h ALA 117 Ca 0.19 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2kma h ALA 117 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kma h ALA 117 CO -0.04 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 2kma h ARG 118 N 0.00 0.95 0.00 0.00 2.47 -1.15 -3.13 114.38 113.52 2kma h ARG 118 Ca -0.00 -0.34 -0.25 0.00 -1.26 0.00 0.00 59.98 58.13 2kma h ARG 118 Cb 0.40 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 2kma h ARG 118 CO 0.02 1.00 -1.37 0.82 0.56 0.00 0.00 179.97 181.00 2kma h ILE 119 N 0.82 1.26 0.00 2.04 2.04 -1.48 -3.48 117.51 118.71 2kma h ILE 119 Ca 0.14 -3.05 0.00 0.00 1.00 0.00 0.00 64.86 62.95 2kma h ILE 119 Cb 0.61 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2kma h ILE 119 CO 0.04 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.52 2kma n GLY 120 N 1.46 1.38 3.54 5.37 0.00 -0.33 -5.07 105.19 111.54 2kma n GLY 120 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 4.21 0.08 -0.61 1.01 0.35 -4.92 121.20 119.32 2kma s ILE 121 Ca 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.90 2kma s ILE 121 Cb 0.00 -4.63 -0.16 0.00 0.01 0.00 0.00 42.46 37.67 2kma s ILE 121 CO 0.00 -1.25 1.68 0.74 0.00 0.00 0.00 174.94 176.11 2kma h THR 122 N 6.07 0.80 -3.07 2.92 2.02 -1.98 -3.38 112.91 116.29 2kma h THR 122 Ca -0.26 -0.04 -0.55 0.00 0.77 0.00 0.00 66.41 66.33 2kma h THR 122 Cb 1.07 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 2kma h THR 122 CO 1.14 0.01 1.06 0.54 0.37 0.00 0.00 175.52 178.64 2kma s ASN 123 N -4.95 6.27 -0.20 4.18 4.22 -1.26 -4.88 114.94 118.32 2kma s ASN 123 Ca -0.15 0.38 -0.05 0.00 -2.14 0.00 0.00 52.86 50.91 2kma s ASN 123 Cb 0.05 -2.55 -0.20 0.00 1.28 0.00 0.00 41.25 39.83 2kma s ASN 123 CO 0.64 -1.57 0.02 0.00 -2.04 0.00 0.00 177.10 174.16 2kma n HIS 124 N 9.06 0.57 -0.29 1.54 1.44 -1.26 -4.43 115.22 121.86 2kma n HIS 124 Ca 0.13 0.14 0.11 0.00 -2.01 0.00 0.00 57.72 56.08 2kma n HIS 124 Cb 0.49 -1.07 0.32 0.00 0.12 0.00 0.00 29.99 29.84 2kma n HIS 124 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kma n ASP 125 N -3.54 3.96 -0.21 4.39 2.03 -1.26 -3.59 116.55 118.33 2kma n ASP 125 Ca -0.40 -2.12 0.13 0.00 0.52 0.00 0.00 54.79 52.92 2kma n ASP 125 Cb 0.98 -0.49 0.68 0.00 -0.72 0.00 0.00 41.12 41.56 2kma n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kma n GLU 126 N 1.41 1.29 -4.25 -0.67 -0.58 -1.26 -4.79 120.64 111.79 2kma n GLU 126 Ca 0.24 -0.43 -0.27 0.00 -0.42 0.00 0.00 57.16 56.28 2kma n GLU 126 Cb 0.66 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 30.00 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2kma s TYR 127 N -1.97 2.73 0.28 -0.32 2.02 -1.24 -1.22 117.35 117.64 2kma s TYR 127 Ca 0.39 -0.18 0.08 0.00 -0.37 0.00 0.00 57.07 57.00 2kma s TYR 127 Cb 0.19 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 2kma s TYR 127 CO 0.32 0.50 0.13 -1.54 -1.57 0.00 0.00 175.55 173.38 2kma s SER 128 N -2.72 5.01 -0.01 2.29 1.04 0.22 -4.77 113.70 114.74 2kma s SER 128 Ca 0.25 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.19 2kma s SER 128 Cb -0.09 -1.04 -0.03 0.00 0.10 0.00 0.00 66.02 64.95 2kma s SER 128 CO 0.16 -0.11 -0.02 -0.22 0.98 0.00 0.00 173.24 174.04 2kma s LEU 129 N -3.80 3.43 -0.10 2.42 0.20 -1.24 -0.10 118.68 119.49 2kma s LEU 129 Ca 0.34 -0.02 -0.03 0.00 0.69 0.00 0.00 54.13 55.11 2kma s LEU 129 Cb -0.06 -1.94 0.04 0.00 -0.43 0.00 0.00 46.19 43.79 2kma s LEU 129 CO 0.23 0.29 0.04 0.54 -0.29 0.00 0.00 176.35 177.17 2kma s VAL 130 N -1.04 0.14 -0.55 1.68 0.11 0.12 0.15 120.40 121.02 2kma s VAL 130 Ca 0.18 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 2kma s VAL 130 Cb -0.11 -0.49 0.08 0.00 -1.53 0.00 0.00 36.38 34.33 2kma s VAL 130 CO 0.09 0.05 0.64 -0.13 -3.33 0.00 0.00 175.10 172.42 2kma s ARG 131 N 2.05 3.07 -0.33 1.54 0.52 0.19 0.51 118.95 126.50 2kma s ARG 131 Ca 0.04 -1.17 -0.26 0.00 -0.52 0.00 0.00 55.73 53.82 2kma s ARG 131 Cb -0.14 -4.19 0.01 0.00 0.52 0.00 0.00 34.95 31.15 2kma s ARG 131 CO -0.06 -1.37 0.90 -1.21 0.02 0.00 0.00 175.30 173.59 2kma s GLU 132 N 2.54 3.95 0.40 3.54 2.02 -0.71 -3.41 118.70 127.03 2kma s GLU 132 Ca 0.12 0.71 0.04 0.00 0.02 0.00 0.00 54.97 55.86 2kma s GLU 132 Cb -0.22 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 2kma s GLU 132 CO 0.08 -0.81 0.04 -0.51 0.02 0.00 0.00 175.26 174.08 2kma s LEU 133 N 3.28 2.38 -0.14 1.80 1.43 -1.24 -3.57 118.68 122.62 2kma s LEU 133 Ca 0.37 -1.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.17 2kma s LEU 133 Cb -0.13 -0.56 0.67 0.00 0.03 0.00 0.00 46.19 46.20 2kma s LEU 133 CO 0.15 -0.65 1.58 1.15 0.23 0.00 0.00 176.35 178.81 2kma n MET 134 N -0.91 3.76 -1.67 1.70 0.00 -1.26 -4.79 117.12 113.96 2kma n MET 134 Ca -0.07 -2.86 -0.53 0.00 0.00 0.00 0.00 57.70 54.24 2kma n MET 134 Cb 0.67 -1.90 -0.06 0.00 0.00 0.00 0.00 33.22 31.92 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 0.67 1.43 0.13 3.17 -0.58 -1.26 -4.87 120.64 119.33 2kma n GLU 135 Ca 0.24 0.52 -0.02 0.00 -0.42 0.00 0.00 57.16 57.49 2kma n GLU 135 Cb 0.91 -2.23 0.17 0.00 -0.57 0.00 0.00 31.44 29.72 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 6.64 0.03 0.00 3.49 4.11 -2.00 -2.48 114.58 124.37 2kma h GLU 136 Ca -0.47 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.78 2kma h GLU 136 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2kma h GLU 136 CO 0.90 0.63 -1.46 1.63 0.07 0.00 0.00 179.01 180.77 2kma n LYS 137 N -3.82 0.54 0.42 1.06 5.02 -1.26 -4.67 118.16 115.45 2kma n LYS 137 Ca -0.01 0.28 -0.18 0.00 -2.02 0.00 0.00 58.31 56.37 2kma n LYS 137 Cb 0.61 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 2kma n LYS 137 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kma h LYS 138 N -1.00 -1.01 -6.27 1.97 3.64 -1.97 -3.47 116.57 108.46 2kma h LYS 138 Ca -0.25 0.07 -0.45 0.00 -1.27 0.00 0.00 60.65 58.76 2kma h LYS 138 Cb 1.17 0.23 0.05 0.00 -0.41 0.00 0.00 32.23 33.27 2kma h LYS 138 CO -0.15 -0.66 -0.92 -3.47 -2.27 0.00 0.00 179.45 171.98 2kma n ASP 169 N -5.52 -3.73 -4.12 4.20 2.03 -0.93 -4.98 116.55 103.49 2kma n ASP 169 Ca -0.14 -0.99 -0.09 0.00 0.52 0.00 0.00 54.79 54.09 2kma n ASP 169 Cb 0.43 -3.38 -0.10 0.00 -0.72 0.00 0.00 41.12 37.34 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 -6.10 0.79 0.43 -0.67 2.02 -1.26 -5.00 118.70 108.90 2kma s GLU 170 Ca 0.32 -1.34 0.23 0.00 0.02 0.00 0.00 54.97 54.19 2kma s GLU 170 Cb -0.11 0.22 0.32 0.00 0.10 0.00 0.00 34.13 34.65 2kma s GLU 170 CO 0.86 -0.19 1.59 -0.07 0.02 0.00 0.00 175.26 177.47 2kma h LEU 171 N 2.99 0.00 -2.81 1.80 3.38 -1.94 -3.29 115.31 115.44 2kma h LEU 171 Ca -0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 2kma h LEU 171 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2kma h LEU 171 CO 0.62 0.02 -0.52 0.59 0.09 0.00 0.00 178.44 179.24 2kma n ASN 172 N -3.09 -6.89 -4.50 -0.43 3.02 -1.22 0.55 115.26 102.70 2kma n ASN 172 Ca 0.04 -0.14 -0.43 0.00 -0.03 0.00 0.00 54.58 54.02 2kma n ASN 172 Cb 0.54 -4.06 -0.04 0.00 -0.61 0.00 0.00 39.78 35.61 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 -2.71 2.74 0.09 3.10 0.52 -1.26 0.20 118.94 121.63 2kma s TRP 173 Ca 0.11 -0.18 -0.31 0.00 0.02 0.00 0.00 56.10 55.74 2kma s TRP 173 Cb -0.02 -4.15 -0.08 0.00 -1.15 0.00 0.00 33.47 28.06 2kma s TRP 173 CO 0.80 -1.47 1.59 -0.51 0.02 0.00 0.00 176.95 177.39 2kma s LEU 174 N 4.05 4.36 0.00 2.99 1.43 0.39 -4.89 118.68 127.01 2kma s LEU 174 Ca 0.28 2.48 0.29 0.00 -1.03 0.00 0.00 54.13 56.14 2kma s LEU 174 Cb -0.14 -3.57 1.23 0.00 0.03 0.00 0.00 46.19 43.74 2kma s LEU 174 CO 0.16 -0.84 1.92 -0.90 0.23 0.00 0.00 176.35 176.92 2kma n ASP 175 N 5.04 0.00 -0.80 2.29 5.68 -1.26 -3.72 116.55 123.77 2kma n ASP 175 Ca 0.15 0.48 -0.06 0.00 -0.50 0.00 0.00 54.79 54.86 2kma n ASP 175 Cb 0.40 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2kma n HIS 176 N -1.49 -0.39 0.00 2.11 8.25 -1.26 -4.85 115.22 117.59 2kma n HIS 176 Ca 0.07 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2kma n HIS 176 Cb 0.33 -1.87 0.00 0.00 1.12 0.00 0.00 29.99 29.57 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 -0.98 0.11 3.80 -1.41 0.00 -1.26 -4.46 105.19 100.99 2kma n GLY 177 Ca -0.05 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2kma n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kma s ARG 178 N -1.00 4.34 0.69 1.61 3.52 -1.26 -4.81 118.95 122.03 2kma s ARG 178 Ca 0.00 0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 56.38 2kma s ARG 178 Cb 0.00 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2kma s ARG 178 CO 0.00 0.56 1.09 -0.08 -0.81 0.00 0.00 175.30 176.06 2kma s THR 179 N -1.22 3.45 0.25 4.11 -1.32 -1.26 -3.93 115.64 115.72 2kma s THR 179 Ca 0.35 0.58 0.00 0.00 -1.21 0.00 0.00 61.69 61.41 2kma s THR 179 Cb -0.20 -3.12 0.04 0.00 -1.51 0.00 0.00 72.50 67.71 2kma s THR 179 CO 0.22 -0.51 1.67 -0.07 -2.21 0.00 0.00 174.62 173.72 2kma h LEU 180 N -0.37 0.56 -0.87 9.08 3.38 -1.83 -0.95 115.31 124.31 2kma h LEU 180 Ca -0.45 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2kma h LEU 180 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kma h LEU 180 CO 0.54 0.83 0.00 0.03 0.09 0.00 0.00 178.44 179.93 2kma h ARG 181 N 0.47 0.00 0.00 1.13 3.08 -1.88 -2.23 114.38 114.95 2kma h ARG 181 Ca 0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2kma h ARG 181 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2kma h ARG 181 CO 0.06 0.00 -0.75 1.49 -1.07 0.00 0.00 179.97 179.70 2kma h GLU 182 N 0.00 0.00 0.00 0.04 4.57 -1.51 -1.98 114.58 115.70 2kma h GLU 182 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kma h GLU 182 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2kma h GLU 182 CO 0.00 0.75 0.00 1.04 -1.18 0.00 0.00 179.01 179.62 2kma n GLN 183 N -3.43 0.11 -3.35 1.92 3.00 -0.94 -4.94 117.38 109.76 2kma n GLN 183 Ca 0.00 0.13 -0.16 0.00 -0.01 0.00 0.00 57.00 56.97 2kma n GLN 183 Cb 0.78 -1.64 0.08 0.00 0.00 0.00 0.00 30.24 29.47 2kma n GLN 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kma n GLY 184 N 1.19 -0.37 3.76 1.08 0.00 -0.75 -4.95 105.19 105.15 2kma n GLY 184 Ca 0.06 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.34 2.92 0.30 1.61 -7.23 -0.88 -5.03 120.40 108.74 2kma s VAL 185 Ca 0.03 0.91 0.01 0.00 -1.81 0.00 0.00 61.98 61.12 2kma s VAL 185 Cb -0.00 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 2kma s VAL 185 CO 0.69 0.21 0.48 -1.61 -0.31 0.00 0.00 175.10 174.56 2kma s GLU 186 N -1.57 3.48 -0.06 4.82 8.01 -1.26 -4.93 118.70 127.20 2kma s GLU 186 Ca 0.49 -0.44 0.20 0.00 0.01 0.00 0.00 54.97 55.23 2kma s GLU 186 Cb -0.38 -2.75 0.69 0.00 -4.31 0.00 0.00 34.13 27.39 2kma s GLU 186 CO 0.49 0.26 1.59 0.39 0.01 0.00 0.00 175.26 178.00 2kma n GLU 187 N -1.51 3.22 0.00 1.61 1.02 -1.26 -4.23 120.64 119.48 2kma n GLU 187 Ca -0.06 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 2kma n GLU 187 Cb 0.56 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kma n HIS 188 N 1.41 0.00 -4.17 -0.32 1.44 -1.26 -4.70 115.22 107.61 2kma n HIS 188 Ca 0.25 -0.10 -0.27 0.00 -2.01 0.00 0.00 57.72 55.60 2kma n HIS 188 Cb 0.76 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.79 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 -0.20 2.55 -0.03 -1.40 0.41 -1.26 -5.09 118.70 113.68 2kma s GLU 189 Ca 0.00 -1.04 -0.27 0.00 -0.41 0.00 0.00 54.97 53.26 2kma s GLU 189 Cb 0.00 -2.44 -0.03 0.00 -1.78 0.00 0.00 34.13 29.87 2kma s GLU 189 CO 0.00 0.46 0.85 0.99 -0.49 0.00 0.00 175.26 177.07 2kma s THR 190 N -1.73 4.94 0.01 3.63 2.01 -1.23 -4.35 115.64 118.92 2kma s THR 190 Ca 0.28 1.77 0.06 0.00 0.31 0.00 0.00 61.69 64.12 2kma s THR 190 Cb -0.10 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2kma s THR 190 CO 0.20 0.21 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.40 2kma s LEU 191 N 0.87 2.59 0.16 4.42 2.01 0.14 -1.73 118.68 127.13 2kma s LEU 191 Ca 0.45 -0.36 0.09 0.00 0.01 0.00 0.00 54.13 54.32 2kma s LEU 191 Cb -0.20 -1.51 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 2kma s LEU 191 CO 0.23 0.29 -0.20 -0.76 1.01 0.00 0.00 176.35 176.92 2kma s LEU 192 N -1.14 2.41 0.01 1.79 1.43 0.18 -2.13 118.68 121.24 2kma s LEU 192 Ca 0.13 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2kma s LEU 192 Cb -0.10 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2kma s LEU 192 CO 0.03 0.02 0.08 -1.48 0.23 0.00 0.00 176.35 175.24 2kma s LEU 193 N -2.50 3.89 -0.06 1.79 0.05 -1.19 0.16 118.68 120.82 2kma s LEU 193 Ca 0.15 0.12 0.03 0.00 0.05 0.00 0.00 54.13 54.48 2kma s LEU 193 Cb -0.07 -2.33 0.00 0.00 -2.05 0.00 0.00 46.19 41.75 2kma s LEU 193 CO 0.07 0.25 -0.17 -0.13 -0.55 0.00 0.00 176.35 175.82 2kma s ARG 194 N -1.87 2.02 -0.42 1.48 1.81 0.86 -4.74 118.95 118.09 2kma s ARG 194 Ca 0.24 -0.58 -0.28 0.00 -1.72 0.00 0.00 55.73 53.39 2kma s ARG 194 Cb -0.12 -1.65 -0.01 0.00 -0.45 0.00 0.00 34.95 32.72 2kma s ARG 194 CO 0.16 0.14 1.74 0.50 -0.68 0.00 0.00 175.30 177.16 2kma s ARG 195 N 0.37 3.18 -0.16 3.54 3.52 -1.26 0.69 118.95 128.83 2kma s ARG 195 Ca -0.12 1.10 -0.25 0.00 -0.13 0.00 0.00 55.73 56.34 2kma s ARG 195 Cb -0.15 -4.22 -0.23 0.00 -1.56 0.00 0.00 34.95 28.79 2kma s ARG 195 CO 0.04 -2.05 0.53 -0.22 -0.81 0.00 0.00 175.30 172.80 2kma h LYS 196 N 13.04 0.03 -5.98 5.12 3.64 -1.46 -3.46 116.57 127.50 2kma h LYS 196 Ca -0.30 -0.05 -0.61 0.00 -1.27 0.00 0.00 60.65 58.41 2kma h LYS 196 Cb 1.15 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2kma h LYS 196 CO 1.09 1.02 -0.23 -0.06 -2.27 0.00 0.00 179.45 179.01 2kma s PHE 197 N -2.30 3.72 -0.51 1.91 0.08 -0.79 -5.00 117.98 115.08 2kma s PHE 197 Ca -0.23 0.95 0.04 0.00 0.12 0.00 0.00 56.93 57.82 2kma s PHE 197 Cb 0.01 -2.26 0.39 0.00 -0.57 0.00 0.00 43.02 40.60 2kma s PHE 197 CO 0.66 0.65 1.14 1.19 -0.10 0.00 0.00 175.22 178.76 2kma n PHE 198 N 1.85 3.54 0.29 0.36 3.72 -1.26 -4.79 117.46 121.17 2kma n PHE 198 Ca -0.14 -3.28 0.19 0.00 -0.05 0.00 0.00 57.45 54.17 2kma n PHE 198 Cb 0.53 -0.26 1.03 0.00 -0.94 0.00 0.00 39.48 39.83 2kma n PHE 198 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2kma h TYR 199 N 2.73 0.00 -4.49 1.38 -0.00 -1.97 -3.47 116.97 111.14 2kma h TYR 199 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.01 2kma h TYR 199 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.49 2kma h TYR 199 CO 0.86 0.00 -0.68 0.43 -0.00 0.00 0.00 178.16 178.76 2kma n SER 200 N -2.84 -6.22 -0.02 0.10 7.64 -1.26 -4.93 113.62 106.08 2kma n SER 200 Ca -0.02 0.98 -0.09 0.00 1.01 0.00 0.00 58.87 60.75 2kma n SER 200 Cb 0.07 -4.04 0.07 0.00 -1.01 0.00 0.00 64.21 59.29 2kma n SER 200 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2kma h ASP 201 N 2.11 0.66 0.00 6.43 2.03 -1.98 -3.57 116.42 122.10 2kma h ASP 201 Ca 0.00 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2kma h ASP 201 Cb 0.03 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 2kma h ASP 201 CO 0.07 1.01 0.00 1.67 -1.03 0.00 0.00 179.24 180.97