#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 5.51 -3.28 -0.61 5.41 -1.26 -4.98 119.36 120.14 2kma n ILE -4 Ca 0.00 -4.90 -0.30 0.00 1.00 0.00 0.00 62.75 58.54 2kma n ILE -4 Cb 0.00 -1.86 -0.04 0.00 -0.71 0.00 0.00 39.64 37.03 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 -0.27 6.53 -0.04 4.38 1.11 -1.26 -5.02 116.67 122.11 2kma s ASP -3 Ca 0.49 0.88 -0.30 0.00 0.18 0.00 0.00 52.55 53.80 2kma s ASP -3 Cb 0.19 -2.21 -0.07 0.00 1.07 0.00 0.00 42.92 41.90 2kma s ASP -3 CO -0.12 -0.18 1.97 -2.84 1.18 0.00 0.00 175.17 175.18 2kma s PRO -2 N -3.31 3.92 -1.40 8.23 0.02 -1.26 -4.88 135.00 136.32 2kma s PRO -2 Ca 0.47 2.41 -0.14 0.00 0.02 0.00 0.00 61.00 63.76 2kma s PRO -2 Cb -0.11 -4.18 0.07 0.00 0.02 0.00 0.00 34.50 30.30 2kma s PRO -2 CO 0.27 -1.20 2.07 1.19 -0.33 0.00 0.00 177.00 179.00 2kma n PHE -1 N 8.40 3.66 -0.47 6.54 3.72 -1.26 -4.88 117.46 133.17 2kma n PHE -1 Ca 0.22 -2.94 0.00 0.00 -0.05 0.00 0.00 57.45 54.68 2kma n PHE -1 Cb 0.42 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 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 4.99 0.00 -1.69 4.37 -2.24 -1.26 -4.91 114.28 113.54 2kma n THR 0 Ca 0.49 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.86 2kma n THR 0 Cb 0.40 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.07 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 3.58 -2.79 -0.78 1.56 -1.26 -4.11 117.12 113.31 2kma n MET 1 Ca 0.00 -2.71 -0.12 0.00 -0.27 0.00 0.00 57.70 54.61 2kma n MET 1 Cb 0.00 -2.94 0.01 0.00 2.15 0.00 0.00 33.22 32.44 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 3.71 0.73 -4.05 1.12 0.24 -1.26 -5.09 118.33 113.72 2kma n VAL 2 Ca 0.63 -3.47 -0.12 0.00 -2.04 0.00 0.00 64.34 59.34 2kma n VAL 2 Cb 0.30 0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 32.97 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 -2.96 0.50 -0.12 2.33 0.00 -1.26 -4.04 121.76 116.22 2kma s ALA 3 Ca 0.31 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kma s ALA 3 Cb 0.43 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2kma s ALA 3 CO 0.01 -0.07 -0.13 -0.51 0.00 0.00 0.00 175.76 175.05 2kma s LEU 4 N -1.68 2.73 -0.53 0.00 1.43 0.95 -4.85 118.68 116.74 2kma s LEU 4 Ca -0.10 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.50 2kma s LEU 4 Cb -0.09 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.58 2kma s LEU 4 CO -0.01 0.19 0.73 -0.44 0.23 0.00 0.00 176.35 177.05 2kma s SER 5 N 0.20 6.25 -0.17 2.29 0.01 -1.26 -1.60 113.70 119.42 2kma s SER 5 Ca -0.08 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.38 2kma s SER 5 Cb -0.15 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2kma s SER 5 CO 0.05 -1.01 -0.06 -0.76 0.41 0.00 0.00 173.24 171.87 2kma s LEU 6 N 3.05 2.96 -0.58 2.44 1.43 0.06 0.06 118.68 128.11 2kma s LEU 6 Ca 0.19 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 2kma s LEU 6 Cb -0.17 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2kma s LEU 6 CO 0.14 0.09 1.28 -0.54 0.23 0.00 0.00 176.35 177.55 2kma s LYS 7 N 0.81 3.43 -0.72 1.70 1.02 -0.72 -2.30 119.74 122.96 2kma s LYS 7 Ca -0.02 0.32 -0.23 0.00 0.02 0.00 0.00 55.97 56.06 2kma s LYS 7 Cb -0.15 -4.06 0.07 0.00 -0.52 0.00 0.00 37.83 33.17 2kma s LYS 7 CO 0.01 -1.79 1.06 0.42 -0.92 0.00 0.00 175.35 174.13 2kma s ILE 8 N 5.38 4.25 -0.54 2.17 -1.09 0.28 0.29 121.20 131.94 2kma s ILE 8 Ca 0.46 -0.40 -0.23 0.00 -2.23 0.00 0.00 60.65 58.26 2kma s ILE 8 Cb -0.09 -4.75 0.05 0.00 -1.58 0.00 0.00 42.46 36.09 2kma s ILE 8 CO 0.25 -1.55 0.86 -0.94 -1.23 0.00 0.00 174.94 172.33 2kma s SER 9 N 3.75 6.30 -0.76 3.58 1.04 -1.04 0.49 113.70 127.06 2kma s SER 9 Ca 0.26 -0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.01 2kma s SER 9 Cb -0.13 -2.40 0.16 0.00 0.10 0.00 0.00 66.02 63.75 2kma s SER 9 CO 0.08 -1.15 0.82 -0.63 0.98 0.00 0.00 173.24 173.33 2kma s ILE 10 N 3.63 5.15 0.00 -1.02 1.01 0.36 -2.38 121.20 127.94 2kma s ILE 10 Ca 0.26 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.15 2kma s ILE 10 Cb -0.14 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.79 2kma s ILE 10 CO 0.17 -1.16 0.00 0.61 0.00 0.00 0.00 174.94 174.56 2kma n GLY 11 N 4.81 1.43 0.00 6.18 0.00 -1.26 -2.31 105.19 114.04 2kma n GLY 11 Ca 0.07 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.34 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 5.58 2.78 -4.93 1.61 6.94 -1.26 -5.04 115.26 120.94 2kma n ASN 12 Ca 0.00 -0.21 -0.25 0.00 -0.02 0.00 0.00 54.58 54.10 2kma n ASN 12 Cb 0.00 1.08 -0.01 0.00 -2.36 0.00 0.00 39.78 38.50 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 -1.85 4.93 -0.11 3.53 0.11 -0.98 -5.09 120.40 120.93 2kma s VAL 13 Ca -0.00 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2kma s VAL 13 Cb 0.02 -3.83 0.02 0.00 -1.53 0.00 0.00 36.38 31.06 2kma s VAL 13 CO 0.12 -0.64 -0.11 0.54 -3.33 0.00 0.00 175.10 171.68 2kma s VAL 14 N -2.49 1.25 -0.07 2.04 0.11 -1.26 -0.49 120.40 119.49 2kma s VAL 14 Ca 0.43 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2kma s VAL 14 Cb -0.10 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.53 2kma s VAL 14 CO 0.39 0.40 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.91 2kma s LYS 15 N 1.34 2.72 -0.35 1.54 -0.14 0.18 -4.93 119.74 120.09 2kma s LYS 15 Ca -0.01 -0.64 -0.10 0.00 -1.36 0.00 0.00 55.97 53.86 2kma s LYS 15 Cb -0.14 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.54 2kma s LYS 15 CO -0.05 0.58 0.19 0.99 -0.76 0.00 0.00 175.35 176.29 2kma s THR 16 N -0.60 4.59 0.06 2.17 2.01 -1.26 0.10 115.64 122.71 2kma s THR 16 Ca 0.09 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2kma s THR 16 Cb -0.11 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2kma s THR 16 CO 0.01 -0.13 -0.11 -0.04 -0.69 0.00 0.00 174.62 173.66 2kma s MET 17 N 1.58 0.70 -0.04 4.92 -1.94 -0.97 -5.00 119.30 118.55 2kma s MET 17 Ca 0.03 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 2kma s MET 17 Cb -0.18 -0.60 -0.03 0.00 2.01 0.00 0.00 34.83 36.02 2kma s MET 17 CO 0.07 0.13 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.46 2kma s GLN 18 N -1.67 2.60 0.15 2.03 -0.21 -1.26 -0.76 119.66 120.55 2kma s GLN 18 Ca -0.05 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.73 2kma s GLN 18 Cb -0.10 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 2kma s GLN 18 CO 0.01 0.63 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.65 2kma s PHE 19 N -0.85 1.33 0.46 0.91 0.08 -0.63 -4.91 117.98 114.38 2kma s PHE 19 Ca 0.14 -0.71 -0.21 0.00 0.12 0.00 0.00 56.93 56.27 2kma s PHE 19 Cb -0.11 -0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 41.58 2kma s PHE 19 CO 0.03 0.12 0.99 -1.21 -0.10 0.00 0.00 175.22 175.06 2kma s GLU 20 N -3.56 4.01 0.21 0.44 2.02 -1.26 -0.03 118.70 120.52 2kma s GLU 20 Ca 0.16 1.24 -0.21 0.00 0.02 0.00 0.00 54.97 56.18 2kma s GLU 20 Cb 0.01 -2.14 0.16 0.00 0.10 0.00 0.00 34.13 32.26 2kma s GLU 20 CO 0.02 -0.23 1.56 -1.00 0.02 0.00 0.00 175.26 175.62 2kma h PRO 21 N 1.72 -0.05 -0.90 0.39 0.13 -1.92 -1.65 132.00 129.72 2kma h PRO 21 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 2kma h PRO 21 Cb 1.20 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 2kma h PRO 21 CO 0.60 -0.03 0.50 -1.13 -0.23 0.00 0.00 178.00 177.71 2kma n SER 22 N -5.43 6.04 -0.14 1.44 3.41 -1.26 -2.64 113.62 115.04 2kma n SER 22 Ca 0.07 -3.75 -0.09 0.00 -0.26 0.00 0.00 58.87 54.84 2kma n SER 22 Cb 0.37 -0.83 -0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2kma n SER 22 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kma h THR 23 N 1.17 1.19 -0.57 6.66 2.02 -1.66 -3.44 112.91 118.28 2kma h THR 23 Ca 0.55 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2kma h THR 23 Cb 1.40 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2kma h THR 23 CO 1.27 0.21 -0.13 0.80 0.37 0.00 0.00 175.52 178.04 2kma n MET 24 N -4.65 -0.71 -0.35 6.66 1.56 -1.26 -4.22 117.12 114.15 2kma n MET 24 Ca 0.00 0.52 0.03 0.00 -0.27 0.00 0.00 57.70 57.98 2kma n MET 24 Cb 0.14 -0.58 0.10 0.00 2.15 0.00 0.00 33.22 35.03 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 0.34 0.04 -0.65 1.12 2.07 -1.77 0.11 116.25 117.52 2kma h VAL 25 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2kma h VAL 25 Cb 0.00 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 2kma h VAL 25 CO 0.00 0.00 0.43 0.10 0.02 0.00 0.00 177.57 178.12 2kma h TYR 26 N -0.01 0.71 0.02 1.57 -0.00 -1.86 0.13 116.97 117.54 2kma h TYR 26 Ca 0.42 0.02 -0.22 0.00 0.00 0.00 0.00 58.73 58.95 2kma h TYR 26 Cb 0.66 -0.24 -0.02 0.00 0.00 0.00 0.00 36.73 37.13 2kma h TYR 26 CO -0.77 0.40 -1.01 0.22 -0.00 0.00 0.00 178.16 177.00 2kma h ASP 27 N 0.73 0.09 -0.00 0.10 3.58 -1.01 -3.15 116.42 116.76 2kma h ASP 27 Ca 0.27 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2kma h ASP 27 Cb 0.14 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kma h ASP 27 CO -0.08 1.04 -0.00 0.00 -2.88 0.00 0.00 179.24 177.33 2kma h ALA 28 N 0.94 0.00 -0.02 -0.78 0.00 0.10 -2.95 119.26 116.56 2kma h ALA 28 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kma h ALA 28 Cb 1.75 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2kma h ALA 28 CO 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.10 2kma h ARG 30 N 0.00 0.60 -0.27 0.00 0.11 -1.50 -2.66 114.38 110.67 2kma h ARG 30 Ca 0.01 -0.77 -0.19 0.00 0.10 0.00 0.00 59.98 59.13 2kma h ARG 30 Cb 0.04 0.25 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2kma h ARG 30 CO -0.00 1.34 -0.56 0.52 0.10 0.00 0.00 179.97 181.37 2kma h MET 31 N 0.22 0.85 -0.44 0.08 2.86 -1.22 -1.27 114.93 116.02 2kma h MET 31 Ca -0.17 -0.56 -0.11 0.00 -2.06 0.00 0.00 59.70 56.81 2kma h MET 31 Cb 1.81 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.53 2kma h MET 31 CO 0.22 1.19 -0.14 0.97 1.06 0.00 0.00 176.91 180.21 2kma h ILE 32 N 0.63 1.27 0.00 -1.22 2.10 -1.36 0.21 117.51 119.14 2kma h ILE 32 Ca 0.01 -1.27 -0.03 0.00 1.08 0.00 0.00 64.86 64.65 2kma h ILE 32 Cb 1.17 1.18 -0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2kma h ILE 32 CO 0.12 0.43 -0.14 -0.09 -1.08 0.00 0.00 178.15 177.40 2kma h ARG 33 N 0.70 0.00 0.25 2.19 2.43 -1.47 0.28 114.38 118.77 2kma h ARG 33 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2kma h ARG 33 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2kma h ARG 33 CO 0.05 0.14 -0.12 1.49 -1.51 0.00 0.00 179.97 180.02 2kma h GLU 34 N 0.00 -0.33 0.08 0.20 4.57 -0.45 -3.39 114.58 115.27 2kma h GLU 34 Ca -0.00 0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.06 2kma h GLU 34 Cb 0.26 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2kma h GLU 34 CO 0.02 0.04 -0.64 0.00 -1.18 0.00 0.00 179.01 177.24 2kma h ARG 35 N -0.84 0.17 -4.62 1.92 3.08 -0.84 -3.44 114.38 109.82 2kma h ARG 35 Ca -0.03 -0.29 -0.71 0.00 0.07 0.00 0.00 59.98 59.01 2kma h ARG 35 Cb 0.51 0.11 -0.20 0.00 0.08 0.00 0.00 29.97 30.47 2kma h ARG 35 CO 0.06 1.14 -0.37 0.42 -1.07 0.00 0.00 179.97 180.15 2kma s ILE 36 N -2.36 5.21 0.32 2.04 1.01 0.99 -4.96 121.20 123.45 2kma s ILE 36 Ca -0.17 -0.55 0.11 0.00 0.00 0.00 0.00 60.65 60.04 2kma s ILE 36 Cb 0.00 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.55 2kma s ILE 36 CO 0.76 -0.33 1.71 -0.65 0.00 0.00 0.00 174.94 176.43 2kma h PRO 37 N 8.65 0.00 -0.01 2.79 0.11 -1.81 -2.75 132.00 138.98 2kma h PRO 37 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2kma h PRO 37 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kma h PRO 37 CO 0.75 0.51 0.00 -0.85 -0.21 0.00 0.00 178.00 178.19 2kma n GLU 38 N -3.94 1.04 -0.05 1.05 0.00 -1.26 -3.41 120.64 114.07 2kma n GLU 38 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 57.16 56.94 2kma n GLU 38 Cb 0.52 -1.27 -0.07 0.00 0.00 0.00 0.00 31.44 30.62 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kma h ALA 39 N 3.55 0.23 -1.52 -1.84 0.00 -1.80 -3.35 119.26 114.52 2kma h ALA 39 Ca 0.00 -0.38 -0.78 0.00 0.00 0.00 0.00 54.91 53.75 2kma h ALA 39 Cb 0.03 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 17.55 2kma h ALA 39 CO 0.00 0.20 1.31 1.47 0.00 0.00 0.00 179.25 182.23 2kma n LEU 40 N -4.45 6.40 0.00 0.00 -0.00 -1.22 -4.73 117.00 113.01 2kma n LEU 40 Ca -0.06 -4.93 0.09 0.00 -0.00 0.00 0.00 56.01 51.11 2kma n LEU 40 Cb 0.43 -1.39 0.54 0.00 -0.00 0.00 0.00 43.42 43.00 2kma n LEU 40 CO 0.41 1.49 0.77 0.00 -0.00 0.00 0.00 177.39 180.07 2kma n ALA 41 N 2.70 2.38 -3.00 1.47 0.00 -1.26 -4.84 120.51 117.96 2kma n ALA 41 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kma n ALA 41 Cb 0.35 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.47 2.95 3.65 0.00 0.00 -1.26 -5.11 105.19 105.89 2kma n GLY 42 Ca 0.14 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2kma n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kma s PRO 43 N 1.94 3.96 0.42 1.61 0.02 -1.26 -4.88 135.00 136.81 2kma s PRO 43 Ca 0.00 2.10 0.28 0.00 0.02 0.00 0.00 61.00 63.40 2kma s PRO 43 Cb 0.00 -4.07 1.52 0.00 0.02 0.00 0.00 34.50 31.97 2kma s PRO 43 CO 0.00 -1.11 1.87 -1.00 -0.33 0.00 0.00 177.00 176.42 2kma h PRO 44 N 10.59 0.00 0.00 5.54 0.13 -1.96 0.27 132.00 146.56 2kma h PRO 44 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kma h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kma h PRO 44 CO 0.97 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.83 2kma h ASN 45 N 0.00 0.00 -0.51 1.44 2.35 -2.04 -3.16 115.58 113.66 2kma h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kma h ASN 45 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2kma h ASN 45 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 2kma n ASP 46 N -2.87 4.93 -4.32 5.81 9.92 0.08 -4.90 116.55 125.20 2kma n ASP 46 Ca 0.03 -2.78 -0.33 0.00 -0.53 0.00 0.00 54.79 51.19 2kma n ASP 46 Cb 0.44 -0.60 -0.15 0.00 -0.64 0.00 0.00 41.12 40.17 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2kma s PHE 47 N -2.44 2.77 0.42 1.24 0.08 -1.20 0.79 117.98 119.64 2kma s PHE 47 Ca 0.49 -0.83 0.04 0.00 0.12 0.00 0.00 56.93 56.76 2kma s PHE 47 Cb 0.36 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.95 2kma s PHE 47 CO 0.17 -0.33 0.15 0.20 -0.10 0.00 0.00 175.22 175.31 2kma s GLY 48 N 0.52 2.67 -0.38 4.36 0.00 -0.35 -4.77 107.32 109.37 2kma s GLY 48 Ca -0.10 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.28 2kma s GLY 48 CO 0.04 -1.81 0.26 1.08 0.00 0.00 0.00 173.10 172.67 2kma s LEU 49 N -3.61 4.85 -0.17 0.66 1.43 -1.25 -2.73 118.68 117.85 2kma s LEU 49 Ca 0.23 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 2kma s LEU 49 Cb 0.02 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 2kma s LEU 49 CO 0.16 -0.38 0.15 0.12 0.23 0.00 0.00 176.35 176.63 2kma s PHE 50 N 1.66 3.47 -0.24 0.29 5.36 0.20 0.80 117.98 129.53 2kma s PHE 50 Ca 0.05 0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 56.25 2kma s PHE 50 Cb -0.19 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2kma s PHE 50 CO 0.09 0.40 0.50 -1.17 -1.46 0.00 0.00 175.22 173.59 2kma s LEU 51 N -0.01 4.08 -0.46 6.12 1.98 0.71 0.10 118.68 131.20 2kma s LEU 51 Ca 0.11 0.55 -0.16 0.00 -2.89 0.00 0.00 54.13 51.74 2kma s LEU 51 Cb -0.12 -2.65 0.06 0.00 0.66 0.00 0.00 46.19 44.14 2kma s LEU 51 CO 0.00 -0.24 0.38 -0.55 -1.89 0.00 0.00 176.35 174.05 2kma s SER 52 N 1.42 6.14 -0.07 3.68 0.15 0.08 -2.96 113.70 122.14 2kma s SER 52 Ca 0.21 -1.21 -0.03 0.00 0.70 0.00 0.00 55.95 55.63 2kma s SER 52 Cb -0.16 -2.18 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2kma s SER 52 CO 0.09 -0.61 -0.05 -0.78 1.20 0.00 0.00 173.24 173.09 2kma h ASP 53 N 8.73 0.00 0.00 5.45 3.58 -1.88 -3.37 116.42 128.94 2kma h ASP 53 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2kma h ASP 53 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2kma h ASP 53 CO 0.85 0.37 0.00 -0.67 -2.88 0.00 0.00 179.24 176.91 2kma n ASP 54 N -3.65 0.00 -4.85 2.28 2.03 -1.26 -5.01 116.55 106.08 2kma n ASP 54 Ca -0.02 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.92 2kma n ASP 54 Cb 0.08 0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.69 6.47 0.32 1.67 2.15 -1.26 -5.01 116.67 119.31 2kma s ASP 55 Ca 0.00 0.56 0.05 0.00 0.43 0.00 0.00 52.55 53.59 2kma s ASP 55 Cb 0.00 -2.12 0.67 0.00 -0.30 0.00 0.00 42.92 41.17 2kma s ASP 55 CO 0.00 0.35 1.85 1.55 -0.17 0.00 0.00 175.17 178.76 2kma h PRO 56 N 5.17 0.84 -0.15 4.34 0.13 -1.96 -1.97 132.00 138.39 2kma h PRO 56 Ca -0.52 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.37 2kma h PRO 56 Cb 1.22 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kma h PRO 56 CO 0.61 0.55 -0.66 0.87 -0.23 0.00 0.00 178.00 179.15 2kma h LYS 57 N 0.86 0.58 0.00 0.86 1.57 -1.95 -2.70 116.57 115.79 2kma h LYS 57 Ca 0.47 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2kma h LYS 57 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2kma h LYS 57 CO -0.24 1.04 -0.24 0.87 -0.57 0.00 0.00 179.45 180.31 2kma h LYS 58 N 0.42 0.00 -7.41 3.15 1.57 -1.80 -3.44 116.57 109.06 2kma h LYS 58 Ca -0.02 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.29 2kma h LYS 58 Cb 1.24 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.68 2kma h LYS 58 CO 0.12 0.24 0.29 0.20 -0.57 0.00 0.00 179.45 179.73 2kma s GLY 59 N -4.27 1.60 0.04 3.86 0.00 -0.79 -4.83 107.32 102.93 2kma s GLY 59 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2kma s GLY 59 CO 0.64 0.22 -0.03 -0.26 0.00 0.00 0.00 173.10 173.68 2kma s ILE 60 N -3.11 0.19 -0.13 0.90 -4.36 -1.15 -4.96 121.20 108.57 2kma s ILE 60 Ca 0.63 -1.55 -0.18 0.00 -0.26 0.00 0.00 60.65 59.28 2kma s ILE 60 Cb -0.16 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 2kma s ILE 60 CO 0.55 -0.86 0.48 0.26 0.24 0.00 0.00 174.94 175.62 2kma s TRP 61 N -3.25 3.50 -0.48 1.37 0.52 -1.26 -0.21 118.94 119.12 2kma s TRP 61 Ca 0.01 0.88 -0.20 0.00 0.02 0.00 0.00 56.10 56.81 2kma s TRP 61 Cb 0.03 -2.57 0.04 0.00 -1.15 0.00 0.00 33.47 29.83 2kma s TRP 61 CO -0.08 0.14 0.64 -0.51 0.02 0.00 0.00 176.95 177.16 2kma s LEU 62 N 0.74 4.76 0.50 2.99 1.43 0.24 -4.97 118.68 124.37 2kma s LEU 62 Ca 0.26 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2kma s LEU 62 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2kma s LEU 62 CO 0.10 -0.86 0.82 -1.83 0.23 0.00 0.00 176.35 174.81 2kma s GLU 63 N 2.75 3.53 0.59 1.70 -1.05 -1.26 -3.95 118.70 121.00 2kma s GLU 63 Ca 0.18 0.26 0.36 0.00 -0.15 0.00 0.00 54.97 55.62 2kma s GLU 63 Cb -0.17 -2.34 1.77 0.00 -0.44 0.00 0.00 34.13 32.96 2kma s GLU 63 CO 0.15 -0.27 2.15 0.00 0.95 0.00 0.00 175.26 178.23 2kma h ALA 64 N 0.14 1.06 0.00 -0.84 0.00 -1.97 -3.15 119.26 114.51 2kma h ALA 64 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kma h ALA 64 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kma h ALA 64 CO 0.62 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2kma n GLY 65 N -0.53 1.44 3.49 0.00 0.00 -1.26 -4.48 105.19 103.85 2kma n GLY 65 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.01 1.36 0.74 1.61 0.00 -1.19 -5.13 119.74 116.12 2kma s LYS 66 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 55.97 55.32 2kma s LYS 66 Cb 0.00 0.59 0.07 0.00 0.00 0.00 0.00 37.83 38.49 2kma s LYS 66 CO 0.00 -0.60 1.08 0.00 0.00 0.00 0.00 175.35 175.83 2kma s ALA 67 N -3.78 2.96 -0.10 0.59 0.00 -1.26 -3.48 121.76 116.68 2kma s ALA 67 Ca 0.03 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 2kma s ALA 67 Cb -0.02 -2.74 -0.20 0.00 0.00 0.00 0.00 23.12 20.16 2kma s ALA 67 CO -0.10 -1.44 0.77 -0.07 0.00 0.00 0.00 175.76 174.92 2kma h LEU 68 N -0.77 -0.03 -0.33 0.00 3.38 -1.83 -3.26 115.31 112.47 2kma h LEU 68 Ca -0.45 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 56.84 2kma h LEU 68 Cb 1.32 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2kma h LEU 68 CO 0.63 0.74 0.00 -0.90 0.09 0.00 0.00 178.44 179.00 2kma n ASP 69 N -4.73 0.39 -0.30 -0.43 5.75 -1.08 -1.91 116.55 114.25 2kma n ASP 69 Ca -0.08 0.58 0.06 0.00 -0.01 0.00 0.00 54.79 55.35 2kma n ASP 69 Cb 0.35 -0.67 0.21 0.00 -1.03 0.00 0.00 41.12 39.98 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2kma h TYR 70 N 0.00 0.79 -0.03 2.11 3.20 -1.81 -3.42 116.97 117.82 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 0.37 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2kma h TYR 70 CO 0.00 0.22 0.00 0.66 -1.64 0.00 0.00 178.16 177.40 2kma n TYR 71 N -4.84 0.00 -1.05 -3.82 4.01 -0.80 -4.97 117.16 105.69 2kma n TYR 71 Ca 0.16 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.91 2kma n TYR 71 Cb 0.40 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.73 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 3.51 -3.09 -0.72 2.81 -1.26 -4.99 117.12 113.38 2kma n MET 72 Ca 0.00 -3.05 -0.35 0.00 -1.81 0.00 0.00 57.70 52.50 2kma n MET 72 Cb 0.00 -2.07 -0.06 0.00 -0.71 0.00 0.00 33.22 30.37 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 -2.94 4.21 0.00 4.03 1.43 -1.26 -5.03 118.68 119.13 2kma s LEU 73 Ca 0.50 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2kma s LEU 73 Cb 0.40 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2kma s LEU 73 CO 0.11 -0.08 0.00 -2.11 0.23 0.00 0.00 176.35 174.50 2kma n ARG 74 N 0.23 0.00 -2.21 1.70 -4.01 -1.26 -4.63 116.66 106.48 2kma n ARG 74 Ca 0.01 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.39 2kma n ARG 74 Cb 0.52 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.92 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -3.04 0.00 0.00 177.63 173.79 2kma s ASN 75 N -0.01 6.26 0.00 2.89 0.01 -1.26 -2.04 114.94 120.78 2kma s ASN 75 Ca 0.00 1.17 0.00 0.00 -0.71 0.00 0.00 52.86 53.32 2kma s ASN 75 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2kma s ASN 75 CO 0.00 -1.43 0.00 0.61 -1.51 0.00 0.00 177.10 174.77 2kma n GLY 76 N 5.01 0.78 3.69 0.66 0.00 0.11 -4.88 105.19 110.56 2kma n GLY 76 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2kma n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kma s ASP 77 N -1.50 7.06 -0.12 1.61 -1.08 -0.87 -4.76 116.67 117.01 2kma s ASP 77 Ca 0.00 1.86 -0.30 0.00 -0.52 0.00 0.00 52.55 53.59 2kma s ASP 77 Cb 0.00 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 2kma s ASP 77 CO 0.00 -0.56 1.09 -0.89 0.52 0.00 0.00 175.17 175.33 2kma s THR 78 N 1.98 4.58 -0.21 1.71 2.01 -1.26 -1.76 115.64 122.69 2kma s THR 78 Ca 0.56 1.87 0.00 0.00 0.31 0.00 0.00 61.69 64.44 2kma s THR 78 Cb -0.26 -4.21 0.05 0.00 0.01 0.00 0.00 72.50 68.10 2kma s THR 78 CO 0.24 -0.04 -0.05 -0.32 -0.69 0.00 0.00 174.62 173.76 2kma s MET 79 N 2.38 1.50 -0.11 4.92 1.75 0.15 -0.74 119.30 129.15 2kma s MET 79 Ca 0.50 -0.79 -0.30 0.00 -1.25 0.00 0.00 55.69 53.86 2kma s MET 79 Cb -0.20 -2.37 -0.02 0.00 2.84 0.00 0.00 34.83 35.08 2kma s MET 79 CO 0.17 -0.54 1.09 -2.00 -0.65 0.00 0.00 175.02 173.09 2kma s GLU 80 N 1.51 4.36 -0.54 4.11 2.12 0.28 -2.50 118.70 128.04 2kma s GLU 80 Ca -0.03 1.50 -0.18 0.00 0.36 0.00 0.00 54.97 56.62 2kma s GLU 80 Cb -0.17 -3.58 0.09 0.00 0.26 0.00 0.00 34.13 30.73 2kma s GLU 80 CO -0.07 -0.43 0.62 -0.47 -0.54 0.00 0.00 175.26 174.38 2kma s TYR 81 N 2.34 3.06 0.26 5.30 5.04 -1.00 -0.62 117.35 131.72 2kma s TYR 81 Ca 0.51 -0.83 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 2kma s TYR 81 Cb -0.20 -3.73 -0.05 0.00 0.35 0.00 0.00 41.96 38.32 2kma s TYR 81 CO 0.18 -1.12 0.06 -0.98 -1.34 0.00 0.00 175.55 172.35 2kma s ARG 82 N 2.46 1.40 0.23 4.97 1.70 -1.11 -4.40 118.95 124.21 2kma s ARG 82 Ca 0.11 -1.75 -0.30 0.00 -0.47 0.00 0.00 55.73 53.32 2kma s ARG 82 Cb -0.23 -0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 33.64 2kma s ARG 82 CO 0.08 -0.23 1.42 0.21 -1.08 0.00 0.00 175.30 175.70 2kma s LYS 83 N -3.97 4.29 0.58 3.89 2.20 -1.26 -1.22 119.74 124.26 2kma s LYS 83 Ca 0.35 2.25 0.28 0.00 -0.36 0.00 0.00 55.97 58.49 2kma s LYS 83 Cb 0.07 -3.13 1.53 0.00 -1.51 0.00 0.00 37.83 34.79 2kma s LYS 83 CO 0.12 -0.40 1.97 0.87 -0.36 0.00 0.00 175.35 177.55 2kma h LYS 84 N 5.26 0.00 0.00 4.03 1.79 0.09 -3.43 116.57 124.31 2kma h LYS 84 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2kma h LYS 84 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2kma h LYS 84 CO 0.79 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 180.20 2kma n GLN 85 N -3.79 2.26 0.00 3.15 6.02 -1.26 0.04 117.38 123.80 2kma n GLN 85 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2kma n GLN 85 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 2kma n GLN 85 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2kma n ARG 86 N -0.00 0.00 -1.87 -1.09 -4.01 -0.92 -4.55 116.66 104.22 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 -0.89 3.10 -0.28 2.89 0.02 -1.26 -3.06 135.00 135.53 2kma s PRO 87 Ca 0.00 1.49 -0.11 0.00 0.02 0.00 0.00 61.00 62.40 2kma s PRO 87 Cb 0.00 -4.29 -0.05 0.00 0.02 0.00 0.00 34.50 30.18 2kma s PRO 87 CO 0.00 -2.13 0.17 -0.51 -0.33 0.00 0.00 177.00 174.20 2kma s LEU 88 N 7.93 3.95 -0.44 -5.54 1.43 -0.78 -4.52 118.68 120.71 2kma s LEU 88 Ca 0.85 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 2kma s LEU 88 Cb -0.24 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.91 2kma s LEU 88 CO 0.32 -0.05 0.80 -0.54 0.23 0.00 0.00 176.35 177.11 2kma s LYS 89 N 1.72 3.46 -0.11 1.70 3.01 -1.26 -1.94 119.74 126.33 2kma s LYS 89 Ca 0.07 -0.02 0.03 0.00 -1.01 0.00 0.00 55.97 55.04 2kma s LYS 89 Cb -0.16 -3.92 0.01 0.00 -1.01 0.00 0.00 37.83 32.75 2kma s LYS 89 CO 0.10 -1.10 -0.22 0.42 0.51 0.00 0.00 175.35 175.06 2kma s ILE 90 N 3.32 1.96 -0.23 2.17 -1.09 0.52 0.13 121.20 127.98 2kma s ILE 90 Ca 0.31 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2kma s ILE 90 Cb -0.12 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.02 2kma s ILE 90 CO 0.22 0.54 0.03 -0.60 -1.23 0.00 0.00 174.94 173.90 2kma s ARG 91 N 0.56 3.61 0.85 2.79 3.52 0.03 -0.09 118.95 130.21 2kma s ARG 91 Ca -0.14 -0.51 -0.12 0.00 -0.13 0.00 0.00 55.73 54.83 2kma s ARG 91 Cb -0.17 -3.20 0.19 0.00 -1.56 0.00 0.00 34.95 30.22 2kma s ARG 91 CO 0.04 -0.12 1.16 -1.33 -0.81 0.00 0.00 175.30 174.25 2kma n MET 92 N 4.66 -0.97 -0.14 5.12 2.81 0.29 -0.67 117.12 128.21 2kma n MET 92 Ca -0.17 -2.01 -0.04 0.00 -1.81 0.00 0.00 57.70 53.68 2kma n MET 92 Cb 0.51 -1.13 0.05 0.00 -0.71 0.00 0.00 33.22 31.94 2kma n MET 92 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2kma h LEU 93 N 0.00 -0.07 0.00 4.03 -0.00 -1.86 0.30 115.31 117.72 2kma h LEU 93 Ca -0.38 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2kma h LEU 93 Cb 1.09 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2kma h LEU 93 CO 0.29 -0.00 0.00 -0.67 -0.00 0.00 0.00 178.44 178.06 2kma n ASP 94 N -5.15 0.00 0.00 -0.43 2.03 -1.26 -4.81 116.55 106.94 2kma n ASP 94 Ca 0.04 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.73 2kma n ASP 94 Cb 0.22 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kma n GLY 95 N 0.68 1.07 3.66 0.27 0.00 0.11 -5.07 105.19 105.91 2kma n GLY 95 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 4.57 -0.12 2.61 2.01 -1.22 -4.61 115.64 116.88 2kma s THR 96 Ca 0.00 1.89 -0.04 0.00 0.31 0.00 0.00 61.69 63.85 2kma s THR 96 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2kma s THR 96 CO 0.00 -0.16 0.04 0.54 -0.69 0.00 0.00 174.62 174.35 2kma s VAL 97 N 3.23 4.63 0.06 3.82 0.11 -1.26 0.10 120.40 131.09 2kma s VAL 97 Ca 0.47 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2kma s VAL 97 Cb -0.17 -3.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 2kma s VAL 97 CO 0.09 0.57 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.80 2kma s LYS 98 N -0.56 0.61 -0.23 1.54 -2.85 0.87 -4.97 119.74 114.15 2kma s LYS 98 Ca 0.10 -1.12 -0.02 0.00 -1.00 0.00 0.00 55.97 53.94 2kma s LYS 98 Cb -0.12 0.06 0.02 0.00 -2.06 0.00 0.00 37.83 35.72 2kma s LYS 98 CO 0.02 -0.07 -0.09 0.99 0.10 0.00 0.00 175.35 176.31 2kma s THR 99 N -3.28 2.81 0.07 3.79 2.01 -1.26 -0.35 115.64 119.43 2kma s THR 99 Ca 0.03 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.23 2kma s THR 99 Cb 0.03 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2kma s THR 99 CO -0.07 0.33 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.49 2kma s ILE 100 N 1.35 1.61 -0.40 1.82 -1.16 -0.82 -4.89 121.20 118.71 2kma s ILE 100 Ca 0.03 -1.31 -0.21 0.00 -0.51 0.00 0.00 60.65 58.64 2kma s ILE 100 Cb -0.15 -1.43 0.01 0.00 0.61 0.00 0.00 42.46 41.50 2kma s ILE 100 CO -0.06 0.07 0.66 -0.04 -2.81 0.00 0.00 174.94 172.76 2kma s MET 101 N -1.47 3.50 -0.03 3.50 -1.94 -1.26 -1.87 119.30 119.72 2kma s MET 101 Ca 0.06 -0.12 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 2kma s MET 101 Cb -0.09 -3.88 -0.02 0.00 2.01 0.00 0.00 34.83 32.85 2kma s MET 101 CO 0.03 -0.89 -0.26 0.08 -0.01 0.00 0.00 175.02 173.97 2kma s VAL 102 N 2.84 2.06 0.26 -6.03 1.01 -1.17 -4.80 120.40 114.57 2kma s VAL 102 Ca 0.25 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2kma s VAL 102 Cb -0.14 -1.72 -0.13 0.00 0.00 0.00 0.00 36.38 34.39 2kma s VAL 102 CO 0.18 0.58 1.31 0.47 0.00 0.00 0.00 175.10 177.63 2kma n ASP 103 N 2.61 2.44 0.17 3.32 9.92 -1.26 -2.17 116.55 131.58 2kma n ASP 103 Ca -0.16 1.16 0.12 0.00 -0.53 0.00 0.00 54.79 55.38 2kma n ASP 103 Cb 0.51 -1.40 0.13 0.00 -0.64 0.00 0.00 41.12 39.72 2kma n ASP 103 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kma h ASP 104 N 3.47 0.00 0.00 -2.24 3.58 -0.63 -3.37 116.42 117.23 2kma h ASP 104 Ca -0.44 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 2kma h ASP 104 Cb 1.29 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 2kma h ASP 104 CO 0.70 0.00 -0.14 -1.20 -2.88 0.00 0.00 179.24 175.73 2kma n SER 105 N -2.90 5.10 -2.51 2.28 7.64 -1.26 -4.40 113.62 117.58 2kma n SER 105 Ca 0.03 -2.39 -0.09 0.00 1.01 0.00 0.00 58.87 57.42 2kma n SER 105 Cb 0.53 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.91 0.73 -1.53 1.43 2.85 -1.26 -5.12 118.16 117.17 2kma n LYS 106 Ca 0.16 -2.01 -0.08 0.00 -1.05 0.00 0.00 58.31 55.33 2kma n LYS 106 Cb 0.64 2.18 0.04 0.00 -0.65 0.00 0.00 35.03 37.24 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 -0.44 0.00 0.06 0.58 -2.24 -1.26 -3.44 114.28 107.53 2kma n THR 107 Ca -0.03 -0.67 -0.18 0.00 -2.27 0.00 0.00 64.05 60.90 2kma n THR 107 Cb 0.47 -1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.27 1.33 -0.31 2.28 2.07 -1.74 -2.71 116.25 116.90 2kma h VAL 108 Ca -0.12 -2.39 0.07 0.00 0.82 0.00 0.00 66.70 65.09 2kma h VAL 108 Cb 0.48 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 2kma h VAL 108 CO 0.14 0.73 -0.19 0.74 0.02 0.00 0.00 177.57 179.01 2kma h THR 109 N 0.31 0.46 -0.40 2.57 2.02 -1.93 0.26 112.91 116.19 2kma h THR 109 Ca -0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2kma h THR 109 Cb 1.71 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2kma h THR 109 CO 0.20 0.00 -0.13 -0.78 0.37 0.00 0.00 175.52 175.18 2kma h ASP 110 N -0.16 0.72 -0.07 4.18 1.82 -1.92 -2.22 116.42 118.77 2kma h ASP 110 Ca 0.16 -0.22 0.02 0.00 -0.39 0.00 0.00 57.03 56.60 2kma h ASP 110 Cb 0.41 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 2kma h ASP 110 CO -0.40 0.87 -0.04 -0.03 -1.61 0.00 0.00 179.24 178.02 2kma h MET 111 N 0.66 -0.04 -0.20 0.28 4.05 -1.01 -2.73 114.93 115.93 2kma h MET 111 Ca 0.11 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2kma h MET 111 Cb 0.59 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 2kma h MET 111 CO 0.04 -0.03 -0.13 1.25 0.23 0.00 0.00 176.91 178.27 2kma h LEU 112 N -0.05 0.30 -1.03 3.39 5.85 -0.24 0.41 115.31 123.95 2kma h LEU 112 Ca 0.04 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2kma h LEU 112 Cb 0.11 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 2kma h LEU 112 CO -0.10 0.47 0.64 -0.03 -0.34 0.00 0.00 178.44 179.07 2kma h MET 113 N 0.30 1.02 -0.02 1.25 4.05 -1.12 0.12 114.93 120.53 2kma h MET 113 Ca 0.06 -0.06 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 2kma h MET 113 Cb 0.42 -0.23 0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2kma h MET 113 CO 0.02 0.68 -0.95 1.15 0.23 0.00 0.00 176.91 178.04 2kma h THR 114 N 1.05 1.33 0.00 -0.77 2.02 -0.73 -3.19 112.91 112.63 2kma h THR 114 Ca 0.47 -2.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.34 2kma h THR 114 Cb 0.37 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2kma h THR 114 CO -0.22 0.70 -0.13 0.40 0.37 0.00 0.00 175.52 176.63 2kma h ILE 115 N 0.35 1.60 0.00 3.11 2.04 -0.38 -3.17 117.51 121.06 2kma h ILE 115 Ca -0.10 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.80 2kma h ILE 115 Cb 1.59 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 40.54 2kma h ILE 115 CO 0.18 0.52 -0.13 0.00 0.00 0.00 0.00 178.15 178.72 2kma h ALA 117 N 1.87 1.15 -0.24 0.00 0.00 -1.58 0.16 119.26 120.62 2kma h ALA 117 Ca -0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2kma h ALA 117 Cb 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kma h ALA 117 CO 0.02 0.29 -0.51 0.00 0.00 0.00 0.00 179.25 179.04 2kma h ARG 118 N 0.00 0.69 0.03 0.00 2.47 -0.97 -3.10 114.38 113.50 2kma h ARG 118 Ca -0.00 -0.42 -0.22 0.00 -1.26 0.00 0.00 59.98 58.08 2kma h ARG 118 Cb 0.61 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2kma h ARG 118 CO 0.03 1.04 -1.00 0.82 0.56 0.00 0.00 179.97 181.41 2kma h ILE 119 N 0.54 1.59 0.00 2.04 1.08 -1.47 -3.47 117.51 117.81 2kma h ILE 119 Ca 0.02 -3.04 0.00 0.00 -0.39 0.00 0.00 64.86 61.45 2kma h ILE 119 Cb 1.08 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 2kma h ILE 119 CO 0.10 0.88 0.00 0.61 -0.69 0.00 0.00 178.15 179.05 2kma n GLY 120 N 1.20 1.81 3.74 5.37 0.00 -0.70 -5.11 105.19 111.50 2kma n GLY 120 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 5.28 -0.00 -0.61 1.01 0.46 -5.00 121.20 120.34 2kma s ILE 121 Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.02 2kma s ILE 121 Cb 0.00 -3.66 -0.18 0.00 0.01 0.00 0.00 42.46 38.63 2kma s ILE 121 CO 0.00 0.40 1.28 0.74 0.00 0.00 0.00 174.94 177.36 2kma h THR 122 N 4.62 1.05 -2.91 2.92 2.02 -1.98 -3.37 112.91 115.26 2kma h THR 122 Ca -0.42 -0.81 -0.61 0.00 0.77 0.00 0.00 66.41 65.34 2kma h THR 122 Cb 1.17 1.55 -0.12 0.00 -1.74 0.00 0.00 68.15 69.01 2kma h THR 122 CO 0.74 0.19 -0.69 0.54 0.37 0.00 0.00 175.52 176.68 2kma s ASN 123 N -5.39 4.53 0.00 4.18 4.22 -1.26 -5.00 114.94 116.22 2kma s ASN 123 Ca -0.15 -0.49 0.00 0.00 -2.14 0.00 0.00 52.86 50.09 2kma s ASN 123 Cb 0.02 -0.88 0.00 0.00 1.28 0.00 0.00 41.25 41.68 2kma s ASN 123 CO 0.61 0.09 0.00 0.00 -2.04 0.00 0.00 177.10 175.76 2kma n HIS 124 N -0.07 0.00 1.91 1.54 1.44 -1.26 -4.66 115.22 114.12 2kma n HIS 124 Ca -0.10 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.77 2kma n HIS 124 Cb 0.55 0.00 0.91 0.00 0.12 0.00 0.00 29.99 31.58 2kma n HIS 124 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kma n ASP 125 N -0.76 0.00 0.00 4.39 8.00 -1.26 -2.69 116.55 124.23 2kma n ASP 125 Ca 0.00 -0.89 0.13 0.00 0.71 0.00 0.00 54.79 54.74 2kma n ASP 125 Cb 0.00 -0.03 0.64 0.00 -0.02 0.00 0.00 41.12 41.71 2kma n ASP 125 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kma n GLU 126 N -1.03 0.27 -4.64 -1.24 -0.58 -1.26 -4.77 120.64 107.38 2kma n GLU 126 Ca 0.23 0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.71 2kma n GLU 126 Cb 0.12 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.70 2.25 0.27 -0.32 2.02 -1.10 -0.21 117.35 117.57 2kma s TYR 127 Ca 0.22 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.61 2kma s TYR 127 Cb 0.18 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2kma s TYR 127 CO 0.43 0.22 0.03 -1.12 -1.57 0.00 0.00 175.55 173.54 2kma s SER 128 N -1.61 4.66 0.01 2.29 0.01 0.78 -4.87 113.70 114.97 2kma s SER 128 Ca 0.12 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2kma s SER 128 Cb -0.10 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2kma s SER 128 CO 0.04 -0.03 0.07 -0.22 0.41 0.00 0.00 173.24 173.50 2kma s LEU 129 N -3.71 3.83 -0.10 2.44 1.98 -1.24 -1.59 118.68 120.29 2kma s LEU 129 Ca 0.32 0.11 -0.03 0.00 -2.89 0.00 0.00 54.13 51.64 2kma s LEU 129 Cb -0.06 -2.26 0.05 0.00 0.66 0.00 0.00 46.19 44.58 2kma s LEU 129 CO 0.21 0.26 0.12 0.54 -1.89 0.00 0.00 176.35 175.58 2kma s VAL 130 N -1.20 -0.18 -0.53 1.68 0.11 -0.82 0.13 120.40 119.59 2kma s VAL 130 Ca 0.23 0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 59.34 2kma s VAL 130 Cb -0.12 -0.33 0.09 0.00 -1.53 0.00 0.00 36.38 34.48 2kma s VAL 130 CO 0.14 0.04 0.59 -0.13 -3.33 0.00 0.00 175.10 172.42 2kma s ARG 131 N 2.22 3.05 -0.41 1.54 0.52 0.14 0.05 118.95 126.06 2kma s ARG 131 Ca 0.04 -1.23 -0.28 0.00 -0.52 0.00 0.00 55.73 53.74 2kma s ARG 131 Cb -0.13 -4.19 0.02 0.00 0.52 0.00 0.00 34.95 31.17 2kma s ARG 131 CO -0.06 -1.31 1.03 -1.21 0.02 0.00 0.00 175.30 173.77 2kma s GLU 132 N 2.33 3.80 0.08 3.54 2.02 -0.75 -3.39 118.70 126.34 2kma s GLU 132 Ca 0.10 0.61 0.01 0.00 0.02 0.00 0.00 54.97 55.71 2kma s GLU 132 Cb -0.23 -3.85 0.01 0.00 0.10 0.00 0.00 34.13 30.16 2kma s GLU 132 CO 0.08 -1.14 0.08 1.28 0.02 0.00 0.00 175.26 175.58 2kma n LEU 133 N 7.24 0.00 -0.37 1.80 4.77 -1.23 -3.62 117.00 125.59 2kma n LEU 133 Ca 0.10 -0.38 0.06 0.00 -0.03 0.00 0.00 56.01 55.76 2kma n LEU 133 Cb 0.48 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.64 2kma n LEU 133 CO 0.64 -0.41 0.41 1.15 -1.33 0.00 0.00 177.39 177.85 2kma n MET 134 N -0.91 0.82 -2.26 3.23 0.00 -1.26 -4.94 117.12 111.79 2kma n MET 134 Ca 0.01 -2.11 -0.42 0.00 0.00 0.00 0.00 57.70 55.18 2kma n MET 134 Cb 0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 33.22 32.19 2kma n MET 134 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2kma s GLU 135 N -1.80 4.38 0.28 3.17 0.41 -1.26 -4.91 118.70 118.97 2kma s GLU 135 Ca 0.23 1.98 0.15 0.00 -0.41 0.00 0.00 54.97 56.91 2kma s GLU 135 Cb 0.21 -3.26 0.13 0.00 -1.78 0.00 0.00 34.13 29.44 2kma s GLU 135 CO -0.00 -0.32 1.47 1.05 -0.49 0.00 0.00 175.26 176.97 2kma h GLU 136 N 6.30 0.00 0.00 1.61 4.11 -1.99 -3.31 114.58 121.29 2kma h GLU 136 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kma h GLU 136 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kma h GLU 136 CO 0.82 0.52 0.00 1.63 0.07 0.00 0.00 179.01 182.05 2kma n LYS 137 N -3.27 0.00 0.07 1.06 5.02 -1.26 -4.81 118.16 114.97 2kma n LYS 137 Ca 0.02 0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2kma n LYS 137 Cb 0.72 -0.38 -0.02 0.00 -0.02 0.00 0.00 35.03 35.34 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 0.00 -0.20 -5.90 1.97 3.64 -1.99 -3.48 116.57 110.62 2kma h LYS 138 Ca 0.00 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 2kma h LYS 138 Cb 0.00 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2kma h LYS 138 CO 0.00 -0.13 -0.68 -3.47 -2.27 0.00 0.00 179.45 172.90 2kma n ASP 169 N -2.68 -6.72 -3.98 4.20 2.03 -1.25 -5.03 116.55 103.13 2kma n ASP 169 Ca -0.03 -0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.13 2kma n ASP 169 Cb 0.08 -3.73 -0.07 0.00 -0.72 0.00 0.00 41.12 36.69 2kma n ASP 169 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2kma s GLU 170 N -3.08 1.28 0.48 -0.67 -6.30 -1.26 -5.00 118.70 104.15 2kma s GLU 170 Ca 0.18 -1.22 0.27 0.00 -2.50 0.00 0.00 54.97 51.71 2kma s GLU 170 Cb -0.03 0.40 0.83 0.00 0.00 0.00 0.00 34.13 35.33 2kma s GLU 170 CO 0.82 -0.49 1.79 -0.07 0.02 0.00 0.00 175.26 177.32 2kma h LEU 171 N 2.45 0.00 -3.02 2.70 3.38 -1.97 -3.27 115.31 115.58 2kma h LEU 171 Ca -0.30 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.44 2kma h LEU 171 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2kma h LEU 171 CO 0.44 0.04 -0.61 0.59 0.09 0.00 0.00 178.44 179.00 2kma n ASN 172 N -3.13 -6.43 -4.51 -0.43 3.02 -1.22 0.14 115.26 102.70 2kma n ASN 172 Ca 0.02 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 2kma n ASN 172 Cb 0.43 -3.53 -0.03 0.00 -0.61 0.00 0.00 39.78 36.04 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 -2.80 2.58 -0.05 3.10 0.52 -1.26 0.25 118.94 121.28 2kma s TRP 173 Ca 0.07 -0.16 -0.30 0.00 0.02 0.00 0.00 56.10 55.73 2kma s TRP 173 Cb -0.01 -4.37 -0.05 0.00 -1.15 0.00 0.00 33.47 27.89 2kma s TRP 173 CO 0.82 -1.70 1.58 -0.51 0.02 0.00 0.00 176.95 177.16 2kma s LEU 174 N 4.64 4.31 0.32 2.99 1.43 0.34 -4.86 118.68 127.86 2kma s LEU 174 Ca 0.30 2.19 0.25 0.00 -1.03 0.00 0.00 54.13 55.84 2kma s LEU 174 Cb -0.12 -3.54 1.12 0.00 0.03 0.00 0.00 46.19 43.68 2kma s LEU 174 CO 0.15 -0.88 1.76 -0.78 0.23 0.00 0.00 176.35 176.84 2kma h ASP 175 N 9.05 0.00 -0.05 2.29 3.58 -1.93 -3.29 116.42 126.07 2kma h ASP 175 Ca -0.38 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 2kma h ASP 175 Cb 1.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2kma h ASP 175 CO 0.95 0.00 -0.02 1.41 -2.88 0.00 0.00 179.24 178.70 2kma n HIS 176 N -2.39 0.00 -0.12 0.28 8.25 -1.26 -4.90 115.22 115.08 2kma n HIS 176 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 2kma n HIS 176 Cb 0.20 -0.84 -0.11 0.00 1.12 0.00 0.00 29.99 30.36 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 -1.64 -0.62 3.98 -1.41 0.00 -1.26 -4.06 105.19 100.19 2kma n GLY 177 Ca -0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.45 3.16 1.05 1.61 1.70 -1.26 -4.91 118.95 117.85 2kma s ARG 178 Ca -0.34 -0.89 -0.15 0.00 -0.47 0.00 0.00 55.73 53.88 2kma s ARG 178 Cb 0.11 -2.79 0.21 0.00 -0.57 0.00 0.00 34.95 31.91 2kma s ARG 178 CO 0.55 0.07 1.14 -0.08 -1.08 0.00 0.00 175.30 175.90 2kma s THR 179 N -2.20 1.86 -0.04 4.99 -1.32 -1.26 -4.03 115.64 113.64 2kma s THR 179 Ca 0.44 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.78 2kma s THR 179 Cb -0.10 -2.61 -0.32 0.00 -1.51 0.00 0.00 72.50 67.97 2kma s THR 179 CO 0.32 0.00 0.74 -0.07 -2.21 0.00 0.00 174.62 173.40 2kma h LEU 180 N -2.03 0.63 -1.82 9.08 3.38 -1.76 -3.21 115.31 119.57 2kma h LEU 180 Ca -0.49 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 56.54 2kma h LEU 180 Cb 1.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2kma h LEU 180 CO 0.48 1.72 -0.02 -0.09 0.09 0.00 0.00 178.44 180.62 2kma h ARG 181 N 0.02 0.08 -0.47 1.13 2.43 -1.88 -1.90 114.38 113.79 2kma h ARG 181 Ca -0.30 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 2kma h ARG 181 Cb 2.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.55 2kma h ARG 181 CO 0.18 0.11 -0.05 1.49 -1.51 0.00 0.00 179.97 180.19 2kma h GLU 182 N 0.08 0.86 -0.58 0.20 4.57 -1.92 -2.92 114.58 114.87 2kma h GLU 182 Ca 0.02 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.86 2kma h GLU 182 Cb 0.10 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2kma h GLU 182 CO 0.00 0.93 0.21 1.96 -1.18 0.00 0.00 179.01 180.94 2kma h GLN 183 N 0.70 0.88 -0.13 1.92 4.20 -1.37 -3.47 115.11 117.84 2kma h GLN 183 Ca 0.13 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2kma h GLN 183 Cb 0.58 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2kma h GLN 183 CO 0.03 0.77 0.00 0.41 -0.67 0.00 0.00 178.83 179.37 2kma n GLY 184 N -0.78 0.99 3.73 3.46 0.00 -0.87 -5.08 105.19 106.65 2kma n GLY 184 Ca 0.03 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.12 3.42 0.24 1.61 -7.23 -1.10 -5.04 120.40 110.18 2kma s VAL 185 Ca 0.00 1.15 0.07 0.00 -1.81 0.00 0.00 61.98 61.39 2kma s VAL 185 Cb 0.00 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 2kma s VAL 185 CO 0.00 0.16 0.18 -1.61 -0.31 0.00 0.00 175.10 173.53 2kma s GLU 186 N 0.02 2.91 -0.02 4.82 0.41 -1.26 -4.89 118.70 120.69 2kma s GLU 186 Ca 0.56 -1.04 0.02 0.00 -0.41 0.00 0.00 54.97 54.10 2kma s GLU 186 Cb -0.34 -2.57 0.08 0.00 -1.78 0.00 0.00 34.13 29.52 2kma s GLU 186 CO 0.36 0.41 0.75 0.39 -0.49 0.00 0.00 175.26 176.69 2kma n GLU 187 N -1.06 1.34 -0.16 1.61 1.02 -1.26 -3.40 120.64 118.72 2kma n GLU 187 Ca -0.08 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 2kma n GLU 187 Cb 0.57 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.03 0.00 -4.04 -0.32 1.44 -1.26 -4.71 115.22 106.29 2kma n HIS 188 Ca 0.03 -0.07 -0.34 0.00 -2.01 0.00 0.00 57.72 55.33 2kma n HIS 188 Cb 0.27 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 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 -0.17 3.20 -0.18 -1.40 2.02 -1.22 -5.06 118.70 115.89 2kma s GLU 189 Ca 0.01 -0.40 -0.25 0.00 0.02 0.00 0.00 54.97 54.35 2kma s GLU 189 Cb 0.01 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2kma s GLU 189 CO 0.00 0.67 0.84 0.99 0.02 0.00 0.00 175.26 177.78 2kma s THR 190 N -1.20 4.87 0.02 3.63 2.01 -1.24 -4.11 115.64 119.62 2kma s THR 190 Ca 0.23 1.64 0.05 0.00 0.31 0.00 0.00 61.69 63.92 2kma s THR 190 Cb -0.12 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2kma s THR 190 CO 0.14 0.01 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.19 2kma s LEU 191 N 2.26 2.87 -0.05 4.42 2.01 0.12 -1.80 118.68 128.50 2kma s LEU 191 Ca 0.38 -0.28 0.04 0.00 0.01 0.00 0.00 54.13 54.28 2kma s LEU 191 Cb -0.16 -1.66 -0.02 0.00 0.01 0.00 0.00 46.19 44.36 2kma s LEU 191 CO 0.12 0.27 -0.17 -0.76 1.01 0.00 0.00 176.35 176.83 2kma s LEU 192 N -1.38 2.60 -0.16 1.79 1.43 0.11 -0.79 118.68 122.28 2kma s LEU 192 Ca 0.16 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 2kma s LEU 192 Cb -0.11 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2kma s LEU 192 CO 0.06 0.33 0.62 -0.22 0.23 0.00 0.00 176.35 177.37 2kma s LEU 193 N -0.65 4.19 -0.04 1.79 0.20 0.15 -1.94 118.68 122.39 2kma s LEU 193 Ca 0.10 0.89 0.06 0.00 0.69 0.00 0.00 54.13 55.87 2kma s LEU 193 Cb -0.11 -2.89 -0.01 0.00 -0.43 0.00 0.00 46.19 42.75 2kma s LEU 193 CO 0.01 -0.20 -0.22 -0.13 -0.29 0.00 0.00 176.35 175.52 2kma s ARG 194 N 1.52 2.01 -0.12 1.98 1.81 -0.62 -4.15 118.95 121.38 2kma s ARG 194 Ca 0.30 -0.78 -0.23 0.00 -1.72 0.00 0.00 55.73 53.30 2kma s ARG 194 Cb -0.16 -1.81 -0.03 0.00 -0.45 0.00 0.00 34.95 32.50 2kma s ARG 194 CO 0.12 0.39 0.71 0.50 -0.68 0.00 0.00 175.30 176.33 2kma s ARG 195 N -0.27 4.35 -0.18 3.54 3.52 -1.26 -0.16 118.95 128.49 2kma s ARG 195 Ca 0.02 0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 56.38 2kma s ARG 195 Cb -0.11 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.69 2kma s ARG 195 CO 0.01 -0.09 -0.22 1.17 -0.81 0.00 0.00 175.30 175.36 2kma n LYS 196 N 4.41 0.40 -3.45 5.12 4.81 0.71 -4.88 118.16 125.27 2kma n LYS 196 Ca -0.00 0.16 -0.31 0.00 -0.87 0.00 0.00 58.31 57.29 2kma n LYS 196 Cb 0.50 -1.19 -0.04 0.00 0.02 0.00 0.00 35.03 34.32 2kma n LYS 196 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kma s PHE 197 N -2.34 3.45 -0.68 5.64 0.40 -0.22 -5.04 117.98 119.20 2kma s PHE 197 Ca -0.25 0.71 0.05 0.00 -0.60 0.00 0.00 56.93 56.84 2kma s PHE 197 Cb 0.09 -2.14 0.20 0.00 0.51 0.00 0.00 43.02 41.68 2kma s PHE 197 CO 0.34 0.27 0.59 1.19 0.70 0.00 0.00 175.22 178.31 2kma n PHE 198 N -0.38 3.35 0.82 0.36 3.72 -1.26 -4.93 117.46 119.13 2kma n PHE 198 Ca -0.01 -4.25 0.00 0.00 -0.05 0.00 0.00 57.45 53.14 2kma n PHE 198 Cb 0.53 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 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 1.57 0.00 -3.23 1.38 0.18 -1.26 -4.85 117.16 110.94 2kma n TYR 199 Ca 0.24 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.84 2kma n TYR 199 Cb 0.37 -0.07 0.01 0.00 -0.38 0.00 0.00 39.34 39.28 2kma n TYR 199 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2kma n SER 200 N 0.07 -6.75 0.24 9.48 3.41 -1.26 -4.85 113.62 113.97 2kma n SER 200 Ca 0.00 -0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.63 2kma n SER 200 Cb 0.18 -3.77 0.57 0.00 -0.26 0.00 0.00 64.21 60.93 2kma n SER 200 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2kma h ASP 201 N 1.27 0.00 -0.02 4.04 5.19 -2.00 -3.56 116.42 121.35 2kma h ASP 201 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2kma h ASP 201 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2kma h ASP 201 CO 0.26 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.49