#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 -1.62 -4.06 -0.61 -5.35 -1.26 -4.96 119.36 101.51 2kma n ILE -4 Ca 0.00 -0.51 -0.34 0.00 -0.27 0.00 0.00 62.75 61.63 2kma n ILE -4 Cb 0.00 -1.45 -0.07 0.00 -1.74 0.00 0.00 39.64 36.38 2kma n ILE -4 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kma s ASP -3 N -4.01 5.86 -0.28 7.28 -4.77 -1.26 -5.03 116.67 114.46 2kma s ASP -3 Ca 0.21 0.23 -0.28 0.00 -3.30 0.00 0.00 52.55 49.41 2kma s ASP -3 Cb -0.12 -1.74 -0.05 0.00 -1.09 0.00 0.00 42.92 39.92 2kma s ASP -3 CO 0.94 0.30 2.27 -2.16 0.70 0.00 0.00 175.17 177.22 2kma s PRO -2 N -1.61 2.90 -0.08 2.11 0.04 -1.26 -4.15 135.00 132.95 2kma s PRO -2 Ca 0.22 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 2kma s PRO -2 Cb -0.12 -4.42 0.02 0.00 0.04 0.00 0.00 34.50 30.02 2kma s PRO -2 CO 0.12 -2.37 0.11 1.19 0.04 0.00 0.00 177.00 176.09 2kma n PHE -1 N 12.65 -2.23 0.00 0.56 3.72 -1.26 -5.04 117.46 125.85 2kma n PHE -1 Ca 0.31 1.31 0.00 0.00 -0.05 0.00 0.00 57.45 59.02 2kma n PHE -1 Cb 0.47 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.58 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 2.12 0.00 -0.84 4.37 -2.24 -1.26 -4.67 114.28 111.76 2kma n THR 0 Ca -0.19 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 2kma n THR 0 Cb 0.29 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 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 1.66 -2.42 -0.78 0.00 -1.26 -4.00 117.12 110.33 2kma n MET 1 Ca 0.00 -0.71 -0.21 0.00 -0.00 0.00 0.00 57.70 56.77 2kma n MET 1 Cb 0.00 -1.65 0.01 0.00 0.00 0.00 0.00 33.22 31.58 2kma n MET 1 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2kma n VAL 2 N 2.05 2.12 -3.91 1.12 0.24 -1.26 -5.00 118.33 113.69 2kma n VAL 2 Ca 0.28 -4.32 -0.11 0.00 -2.04 0.00 0.00 64.34 58.15 2kma n VAL 2 Cb 0.75 -0.75 -0.13 0.00 -1.47 0.00 0.00 33.84 32.25 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 -3.51 0.05 -0.12 2.33 0.00 -1.26 -4.09 121.76 115.16 2kma s ALA 3 Ca 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 2kma s ALA 3 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2kma s ALA 3 CO -0.09 -0.04 -0.11 -0.51 0.00 0.00 0.00 175.76 175.02 2kma s LEU 4 N -0.37 2.85 -0.56 0.00 1.43 0.12 -4.80 118.68 117.34 2kma s LEU 4 Ca -0.04 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 2kma s LEU 4 Cb -0.03 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.69 2kma s LEU 4 CO -0.00 0.21 0.53 -0.44 0.23 0.00 0.00 176.35 176.87 2kma s SER 5 N 0.10 6.21 -0.12 2.29 0.01 -1.26 -1.33 113.70 119.61 2kma s SER 5 Ca -0.05 -1.80 -0.04 0.00 1.31 0.00 0.00 55.95 55.38 2kma s SER 5 Cb -0.14 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2kma s SER 5 CO 0.04 -0.87 0.01 -0.76 0.41 0.00 0.00 173.24 172.08 2kma s LEU 6 N 1.63 3.61 -0.67 2.44 1.43 -0.11 -1.51 118.68 125.50 2kma s LEU 6 Ca 0.04 0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 2kma s LEU 6 Cb -0.29 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2kma s LEU 6 CO 0.03 0.30 1.24 -0.54 0.23 0.00 0.00 176.35 177.60 2kma s LYS 7 N -0.40 3.33 -0.81 1.70 1.02 -0.29 -2.48 119.74 121.80 2kma s LYS 7 Ca 0.08 -0.04 -0.23 0.00 0.02 0.00 0.00 55.97 55.80 2kma s LYS 7 Cb -0.12 -4.11 0.07 0.00 -0.52 0.00 0.00 37.83 33.15 2kma s LYS 7 CO 0.02 -1.94 1.16 0.42 -0.92 0.00 0.00 175.35 174.09 2kma s ILE 8 N 5.37 4.22 -0.71 2.17 -1.09 0.21 0.45 121.20 131.81 2kma s ILE 8 Ca 0.38 -0.57 -0.21 0.00 -2.23 0.00 0.00 60.65 58.02 2kma s ILE 8 Cb -0.08 -4.83 0.09 0.00 -1.58 0.00 0.00 42.46 36.06 2kma s ILE 8 CO 0.19 -1.65 0.97 -0.55 -1.23 0.00 0.00 174.94 172.68 2kma s SER 9 N 3.94 6.28 -1.15 3.58 0.15 -1.11 0.56 113.70 125.94 2kma s SER 9 Ca 0.32 -1.29 -0.18 0.00 0.70 0.00 0.00 55.95 55.50 2kma s SER 9 Cb -0.09 -2.40 0.11 0.00 -1.71 0.00 0.00 66.02 61.93 2kma s SER 9 CO 0.03 -1.32 1.48 -0.63 1.20 0.00 0.00 173.24 174.00 2kma s ILE 10 N 3.59 4.48 0.00 6.45 1.01 0.60 -2.65 121.20 134.68 2kma s ILE 10 Ca 0.23 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 59.02 2kma s ILE 10 Cb -0.15 -5.01 0.00 0.00 0.01 0.00 0.00 42.46 37.31 2kma s ILE 10 CO 0.05 -1.79 0.00 0.61 0.00 0.00 0.00 174.94 173.81 2kma n GLY 11 N 5.29 2.25 0.42 6.18 0.00 -1.26 -3.18 105.19 114.90 2kma n GLY 11 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2kma n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kma n ASN 12 N 4.19 1.28 -4.74 1.61 3.02 -1.26 -5.08 115.26 114.27 2kma n ASN 12 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 2kma n ASN 12 Cb 0.00 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.27 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kma s VAL 13 N -1.59 2.80 -0.08 2.41 0.11 -1.19 -5.01 120.40 117.86 2kma s VAL 13 Ca 0.00 0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2kma s VAL 13 Cb 0.00 -2.72 0.02 0.00 -1.53 0.00 0.00 36.38 32.16 2kma s VAL 13 CO 0.00 -0.29 -0.05 0.54 -3.33 0.00 0.00 175.10 171.97 2kma s VAL 14 N -2.53 0.69 0.03 2.04 0.11 -1.26 -0.29 120.40 119.19 2kma s VAL 14 Ca 0.66 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.64 2kma s VAL 14 Cb -0.22 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2kma s VAL 14 CO 0.51 0.29 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.92 2kma s LYS 15 N 1.46 2.33 -0.34 1.54 -0.14 0.19 -4.91 119.74 119.87 2kma s LYS 15 Ca -0.02 -0.85 -0.10 0.00 -1.36 0.00 0.00 55.97 53.64 2kma s LYS 15 Cb -0.13 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.66 2kma s LYS 15 CO -0.04 0.57 0.17 0.99 -0.76 0.00 0.00 175.35 176.28 2kma s THR 16 N -1.00 4.47 0.07 2.17 2.01 -1.26 0.64 115.64 122.73 2kma s THR 16 Ca 0.17 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.53 2kma s THR 16 Cb -0.11 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2kma s THR 16 CO 0.08 -0.08 -0.14 -0.04 -0.69 0.00 0.00 174.62 173.74 2kma s MET 17 N 1.56 0.83 -0.08 4.92 -1.94 -1.04 -4.99 119.30 118.56 2kma s MET 17 Ca 0.03 -0.93 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 2kma s MET 17 Cb -0.18 -0.84 -0.03 0.00 2.01 0.00 0.00 34.83 35.79 2kma s MET 17 CO 0.06 0.19 -0.08 -0.65 -0.01 0.00 0.00 175.02 174.52 2kma s GLN 18 N -1.67 2.83 0.17 2.03 -0.21 -1.25 -0.93 119.66 120.62 2kma s GLN 18 Ca -0.02 -0.58 0.06 0.00 0.02 0.00 0.00 55.36 54.85 2kma s GLN 18 Cb -0.10 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 2kma s GLN 18 CO 0.02 0.60 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.60 2kma s PHE 19 N -0.63 1.46 0.46 0.91 0.08 -0.44 -4.88 117.98 114.93 2kma s PHE 19 Ca 0.09 -0.66 -0.21 0.00 0.12 0.00 0.00 56.93 56.27 2kma s PHE 19 Cb -0.11 -0.71 -0.09 0.00 -0.57 0.00 0.00 43.02 41.53 2kma s PHE 19 CO 0.02 0.20 1.03 -1.21 -0.10 0.00 0.00 175.22 175.15 2kma s GLU 20 N -3.58 3.94 0.46 0.44 2.02 -1.26 0.11 118.70 120.83 2kma s GLU 20 Ca 0.18 1.36 0.16 0.00 0.02 0.00 0.00 54.97 56.69 2kma s GLU 20 Cb 0.00 -2.20 1.12 0.00 0.10 0.00 0.00 34.13 33.15 2kma s GLU 20 CO 0.03 -0.31 2.00 -1.00 0.02 0.00 0.00 175.26 176.00 2kma h PRO 21 N 1.82 0.29 -0.54 0.39 0.13 -1.93 -0.69 132.00 131.46 2kma h PRO 21 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kma h PRO 21 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kma h PRO 21 CO 0.60 0.19 0.00 -1.13 -0.23 0.00 0.00 178.00 177.43 2kma n SER 22 N -4.46 4.41 -0.05 1.44 3.41 -1.26 -1.88 113.62 115.24 2kma n SER 22 Ca 0.09 -2.49 -0.08 0.00 -0.26 0.00 0.00 58.87 56.12 2kma n SER 22 Cb 0.39 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 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 3.42 0.73 -0.19 6.66 2.02 -1.48 -3.47 112.91 120.60 2kma h THR 23 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kma h THR 23 Cb 1.37 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2kma h THR 23 CO 0.21 0.00 -0.05 0.80 0.37 0.00 0.00 175.52 176.85 2kma n MET 24 N -5.24 -0.24 -0.37 6.66 1.56 -1.26 -4.20 117.12 114.03 2kma n MET 24 Ca -0.02 0.17 0.00 0.00 -0.27 0.00 0.00 57.70 57.59 2kma n MET 24 Cb 0.16 -0.20 0.06 0.00 2.15 0.00 0.00 33.22 35.39 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 0.10 0.01 -0.06 1.12 2.07 -1.80 0.16 116.25 117.86 2kma h VAL 25 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2kma h VAL 25 Cb 0.00 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2kma h VAL 25 CO 0.00 0.00 0.04 0.10 0.02 0.00 0.00 177.57 177.73 2kma h TYR 26 N -0.00 0.00 0.12 1.57 -0.00 -1.87 0.39 116.97 117.17 2kma h TYR 26 Ca 0.37 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.83 2kma h TYR 26 Cb 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.37 2kma h TYR 26 CO -0.84 0.00 -1.20 0.22 -0.00 0.00 0.00 178.16 176.33 2kma h ASP 27 N 0.00 0.56 -0.06 0.10 3.58 -0.88 -3.14 116.42 116.57 2kma h ASP 27 Ca 0.03 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.92 2kma h ASP 27 Cb 0.11 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2kma h ASP 27 CO -0.00 1.40 -0.00 0.00 -2.88 0.00 0.00 179.24 177.76 2kma h ALA 28 N 0.53 0.08 0.00 -0.78 0.00 -0.20 -2.52 119.26 116.37 2kma h ALA 28 Ca -0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2kma h ALA 28 Cb 1.90 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2kma h ALA 28 CO 0.21 -0.23 -0.11 0.00 0.00 0.00 0.00 179.25 179.11 2kma h ARG 30 N 0.00 0.18 0.15 0.00 0.11 -1.47 -2.95 114.38 110.40 2kma h ARG 30 Ca -0.00 -0.28 -0.28 0.00 0.10 0.00 0.00 59.98 59.52 2kma h ARG 30 Cb 0.22 0.10 0.03 0.00 1.11 0.00 0.00 29.97 31.43 2kma h ARG 30 CO 0.01 1.11 -1.19 0.52 0.10 0.00 0.00 179.97 180.52 2kma h MET 31 N 0.06 0.54 -0.66 0.08 2.86 -1.00 -3.14 114.93 113.66 2kma h MET 31 Ca -0.08 -0.78 -0.01 0.00 -2.06 0.00 0.00 59.70 56.77 2kma h MET 31 Cb 1.82 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 33.72 2kma h MET 31 CO 0.17 1.36 0.39 0.97 1.06 0.00 0.00 176.91 180.86 2kma h ILE 32 N 0.10 1.19 0.00 -1.22 2.10 -1.08 0.13 117.51 118.73 2kma h ILE 32 Ca -0.19 -0.44 -0.02 0.00 1.08 0.00 0.00 64.86 65.29 2kma h ILE 32 Cb 1.90 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 37.92 2kma h ILE 32 CO 0.23 0.20 -0.10 0.08 -1.08 0.00 0.00 178.15 177.48 2kma h ARG 33 N 0.89 0.00 -0.07 2.19 0.11 -1.64 0.27 114.38 116.13 2kma h ARG 33 Ca 0.23 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.13 2kma h ARG 33 Cb -0.02 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.08 2kma h ARG 33 CO -0.04 0.10 -0.69 1.49 0.10 0.00 0.00 179.97 180.93 2kma h GLU 34 N 0.00 0.59 0.00 0.08 4.57 -0.89 -3.37 114.58 115.57 2kma h GLU 34 Ca -0.00 -0.54 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2kma h GLU 34 Cb 0.22 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2kma h GLU 34 CO 0.01 1.16 -0.00 0.00 -1.18 0.00 0.00 179.01 179.00 2kma h ARG 35 N 0.21 -0.01 -4.53 1.92 2.47 -0.43 -3.44 114.38 110.58 2kma h ARG 35 Ca -0.07 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 57.94 2kma h ARG 35 Cb 1.35 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.41 2kma h ARG 35 CO 0.14 0.51 -0.49 0.42 0.56 0.00 0.00 179.97 181.12 2kma s ILE 36 N -1.94 4.54 0.23 2.04 1.01 0.91 -4.94 121.20 123.05 2kma s ILE 36 Ca -0.10 -1.03 0.32 0.00 0.00 0.00 0.00 60.65 59.84 2kma s ILE 36 Cb -0.02 -3.62 0.35 0.00 0.01 0.00 0.00 42.46 39.19 2kma s ILE 36 CO 0.36 -0.34 2.01 1.55 0.00 0.00 0.00 174.94 178.53 2kma h PRO 37 N 8.46 0.00 0.00 2.79 0.13 -1.82 -2.04 132.00 139.52 2kma h PRO 37 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kma h PRO 37 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kma h PRO 37 CO 0.71 0.07 0.00 -1.91 -0.23 0.00 0.00 178.00 176.64 2kma n GLU 38 N -3.24 0.18 0.17 0.86 2.13 -1.26 -3.05 120.64 116.43 2kma n GLU 38 Ca -0.00 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 57.98 2kma n GLU 38 Cb 0.29 -1.76 -0.05 0.00 0.27 0.00 0.00 31.44 30.19 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kma h ALA 39 N 2.49 -0.50 -0.04 4.31 0.00 -1.68 -3.33 119.26 120.52 2kma h ALA 39 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2kma h ALA 39 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kma h ALA 39 CO 0.00 -0.50 -0.55 1.37 0.00 0.00 0.00 179.25 179.58 2kma h LEU 40 N -1.08 0.12 0.00 0.00 -0.00 -1.69 -3.46 115.31 109.21 2kma h LEU 40 Ca -0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2kma h LEU 40 Cb 0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2kma h LEU 40 CO 0.08 0.65 0.00 0.00 -0.00 0.00 0.00 178.44 179.17 2kma n ALA 41 N -2.45 0.00 -1.61 0.17 0.00 -1.17 -4.06 120.51 111.39 2kma n ALA 41 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2kma n ALA 41 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 -0.02 3.55 0.00 0.00 -1.26 -5.05 105.19 102.42 2kma n GLY 42 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 0.61 3.48 0.00 1.61 0.05 -1.26 -4.92 135.00 134.57 2kma s PRO 43 Ca 0.00 0.05 0.13 0.00 0.05 0.00 0.00 61.00 61.23 2kma s PRO 43 Cb 0.00 -3.93 0.77 0.00 0.05 0.00 0.00 34.50 31.40 2kma s PRO 43 CO 0.00 -1.17 1.30 -0.35 0.05 0.00 0.00 177.00 176.83 2kma n PRO 44 N 6.95 0.72 -0.04 0.56 -0.04 -1.26 -3.17 135.00 138.72 2kma n PRO 44 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 2kma n PRO 44 Cb 0.48 -1.28 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 2kma n PRO 44 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kma h ASN 45 N 0.00 0.11 -0.62 3.54 2.35 -1.94 -3.31 115.58 115.71 2kma h ASN 45 Ca 0.00 -0.85 -0.37 0.00 -0.55 0.00 0.00 56.30 54.53 2kma h ASN 45 Cb 0.00 -0.03 -0.19 0.00 0.05 0.00 0.00 38.32 38.15 2kma h ASN 45 CO 0.00 0.95 0.47 -0.90 -1.65 0.00 0.00 177.43 176.30 2kma n ASP 46 N -4.57 5.09 -4.05 5.81 5.75 -1.19 -4.81 116.55 118.58 2kma n ASP 46 Ca -0.10 -3.12 -0.29 0.00 -0.01 0.00 0.00 54.79 51.26 2kma n ASP 46 Cb 0.48 -0.87 -0.17 0.00 -1.03 0.00 0.00 41.12 39.54 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2kma s PHE 47 N -2.19 2.10 0.25 2.11 0.40 -1.25 0.96 117.98 120.36 2kma s PHE 47 Ca 0.38 -1.08 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 2kma s PHE 47 Cb 0.30 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 2kma s PHE 47 CO 0.03 -0.57 0.09 0.41 0.70 0.00 0.00 175.22 175.88 2kma n GLY 48 N 4.44 3.58 3.37 4.36 0.00 0.41 -4.77 105.19 116.59 2kma n GLY 48 Ca -0.18 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 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 4.80 -0.23 0.99 1.43 -1.26 -2.11 118.68 122.30 2kma s LEU 49 Ca 0.12 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 2kma s LEU 49 Cb 0.01 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2kma s LEU 49 CO 0.09 -0.41 0.15 0.12 0.23 0.00 0.00 176.35 176.53 2kma s PHE 50 N 1.56 3.33 -0.35 0.29 5.36 0.55 0.49 117.98 129.21 2kma s PHE 50 Ca 0.02 0.24 -0.19 0.00 -0.96 0.00 0.00 56.93 56.04 2kma s PHE 50 Cb -0.20 -2.25 -0.00 0.00 -0.34 0.00 0.00 43.02 40.23 2kma s PHE 50 CO 0.07 0.11 0.57 -1.17 -1.46 0.00 0.00 175.22 173.33 2kma s LEU 51 N 0.93 4.30 -0.28 6.12 1.98 0.22 0.49 118.68 132.43 2kma s LEU 51 Ca 0.08 0.07 -0.21 0.00 -2.89 0.00 0.00 54.13 51.18 2kma s LEU 51 Cb -0.13 -2.68 -0.01 0.00 0.66 0.00 0.00 46.19 44.03 2kma s LEU 51 CO 0.03 -0.53 0.65 -0.55 -1.89 0.00 0.00 176.35 174.07 2kma s SER 52 N 1.77 6.55 -0.07 3.68 0.15 -1.19 -2.40 113.70 122.19 2kma s SER 52 Ca 0.21 0.58 -0.07 0.00 0.70 0.00 0.00 55.95 57.37 2kma s SER 52 Cb -0.15 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2kma s SER 52 CO 0.14 -0.45 -0.13 -0.67 1.20 0.00 0.00 173.24 173.33 2kma n ASP 53 N 5.85 0.73 0.00 5.45 -0.08 -1.26 -4.70 116.55 122.53 2kma n ASP 53 Ca -0.00 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2kma n ASP 53 Cb 0.49 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.35 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 -3.24 0.00 -4.78 1.67 2.03 -1.26 -5.01 116.55 105.96 2kma n ASP 54 Ca -0.05 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.89 2kma n ASP 54 Cb 0.19 0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.35 6.73 0.41 1.67 2.15 -1.26 -4.90 116.67 121.12 2kma s ASP 55 Ca 0.00 2.06 0.23 0.00 0.43 0.00 0.00 52.55 55.27 2kma s ASP 55 Cb 0.00 -2.59 1.23 0.00 -0.30 0.00 0.00 42.92 41.26 2kma s ASP 55 CO 0.00 -0.51 1.71 1.55 -0.17 0.00 0.00 175.17 177.75 2kma h PRO 56 N 2.50 0.26 0.00 4.34 0.13 -1.97 0.21 132.00 137.47 2kma h PRO 56 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2kma h PRO 56 Cb 1.22 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kma h PRO 56 CO 0.62 0.17 -0.29 0.87 -0.23 0.00 0.00 178.00 179.14 2kma h LYS 57 N 0.27 0.00 -0.06 0.86 1.57 -1.92 -3.25 116.57 114.04 2kma h LYS 57 Ca 0.69 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.26 2kma h LYS 57 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 2kma h LYS 57 CO -0.36 0.04 -0.83 0.87 -0.57 0.00 0.00 179.45 178.61 2kma h LYS 58 N 0.00 0.48 -7.27 3.15 1.79 -0.97 -3.45 116.57 110.31 2kma h LYS 58 Ca -0.00 -0.44 -0.51 0.00 -2.18 0.00 0.00 60.65 57.52 2kma h LYS 58 Cb 1.04 0.11 0.09 0.00 -1.58 0.00 0.00 32.23 31.89 2kma h LYS 58 CO 0.01 1.08 0.36 0.20 -1.08 0.00 0.00 179.45 180.02 2kma s GLY 59 N -4.32 1.88 0.13 3.86 0.00 -0.83 -4.63 107.32 103.41 2kma s GLY 59 Ca -0.07 0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 2kma s GLY 59 CO 0.86 0.59 0.20 -0.26 0.00 0.00 0.00 173.10 174.49 2kma s ILE 60 N -2.75 0.10 -0.16 0.90 -5.25 -1.01 -4.98 121.20 108.06 2kma s ILE 60 Ca 0.61 -1.46 -0.16 0.00 -0.99 0.00 0.00 60.65 58.66 2kma s ILE 60 Cb -0.16 -1.75 -0.04 0.00 2.95 0.00 0.00 42.46 43.46 2kma s ILE 60 CO 0.47 -0.45 0.37 0.26 -1.79 0.00 0.00 174.94 173.81 2kma s TRP 61 N -3.96 3.46 -0.46 1.37 0.52 -1.26 -0.61 118.94 118.00 2kma s TRP 61 Ca 0.15 0.69 -0.27 0.00 0.02 0.00 0.00 56.10 56.69 2kma s TRP 61 Cb 0.05 -2.45 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2kma s TRP 61 CO -0.03 0.16 1.00 -0.51 0.02 0.00 0.00 176.95 177.60 2kma s LEU 62 N 0.70 3.88 0.57 2.99 1.43 0.18 -4.96 118.68 123.47 2kma s LEU 62 Ca 0.20 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2kma s LEU 62 Cb -0.14 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 2kma s LEU 62 CO 0.07 -1.12 1.00 -1.83 0.23 0.00 0.00 176.35 174.70 2kma s GLU 63 N 3.99 3.74 0.00 1.70 -1.05 -1.26 -4.42 118.70 121.40 2kma s GLU 63 Ca 0.41 0.81 0.28 0.00 -0.15 0.00 0.00 54.97 56.32 2kma s GLU 63 Cb -0.09 -2.11 1.42 0.00 -0.44 0.00 0.00 34.13 32.91 2kma s GLU 63 CO 0.28 -0.44 1.95 0.00 0.95 0.00 0.00 175.26 178.00 2kma n ALA 64 N -2.27 2.63 1.76 -0.84 0.00 -1.26 -3.63 120.51 116.89 2kma n ALA 64 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.23 2kma n ALA 64 Cb 0.54 -1.34 0.16 0.00 0.00 0.00 0.00 19.45 18.82 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 1.05 -0.64 3.48 0.00 0.00 -1.26 -4.68 105.19 103.14 2kma n GLY 65 Ca 0.20 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.91 1.33 0.83 1.61 0.00 -1.24 -5.14 119.74 115.22 2kma s LYS 66 Ca 0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 55.97 55.33 2kma s LYS 66 Cb 0.06 0.56 0.15 0.00 0.00 0.00 0.00 37.83 38.59 2kma s LYS 66 CO 0.09 -0.57 1.15 0.00 0.00 0.00 0.00 175.35 176.01 2kma s ALA 67 N -3.81 2.95 -0.08 0.59 0.00 -1.26 -3.61 121.76 116.54 2kma s ALA 67 Ca 0.05 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 2kma s ALA 67 Cb -0.01 -2.46 -0.23 0.00 0.00 0.00 0.00 23.12 20.42 2kma s ALA 67 CO -0.08 -1.87 1.02 -0.07 0.00 0.00 0.00 175.76 174.76 2kma h LEU 68 N -1.04 -0.01 0.00 0.00 3.38 -1.86 -3.22 115.31 112.56 2kma h LEU 68 Ca -0.41 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 56.84 2kma h LEU 68 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 68 CO 0.43 0.72 0.00 -0.67 0.09 0.00 0.00 178.44 179.01 2kma n ASP 69 N -4.75 0.00 -0.28 -0.43 2.03 -0.79 -1.94 116.55 110.41 2kma n ASP 69 Ca -0.09 0.49 0.04 0.00 0.52 0.00 0.00 54.79 55.74 2kma n ASP 69 Cb 0.35 -0.49 0.25 0.00 -0.72 0.00 0.00 41.12 40.51 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kma h TYR 70 N 0.00 1.00 0.00 -0.67 3.20 -1.77 -3.42 116.97 115.31 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 0.31 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2kma h TYR 70 CO 0.00 0.54 0.00 0.66 -1.64 0.00 0.00 178.16 177.72 2kma n TYR 71 N -4.47 0.00 -1.09 -3.82 4.02 -0.82 -4.97 117.16 106.02 2kma n TYR 71 Ca 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.03 2kma n TYR 71 Cb 0.17 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 39.76 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kma n MET 72 N 0.00 3.11 -2.85 -0.72 2.81 -1.26 -5.01 117.12 113.20 2kma n MET 72 Ca 0.00 -3.00 -0.37 0.00 -1.81 0.00 0.00 57.70 52.52 2kma n MET 72 Cb 0.00 -1.98 -0.06 0.00 -0.71 0.00 0.00 33.22 30.46 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 -2.95 4.35 0.00 4.03 1.43 -1.26 -5.03 118.68 119.25 2kma s LEU 73 Ca 0.47 1.74 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 2kma s LEU 73 Cb 0.39 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.72 2kma s LEU 73 CO 0.09 -0.04 0.21 -2.11 0.23 0.00 0.00 176.35 174.73 2kma n ARG 74 N 0.62 0.30 -1.60 1.70 -4.01 -1.26 -4.69 116.66 107.73 2kma n ARG 74 Ca 0.01 -0.64 -0.39 0.00 -1.04 0.00 0.00 57.85 55.80 2kma n ARG 74 Cb 0.50 0.77 -0.03 0.00 -3.04 0.00 0.00 32.46 30.66 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 -1.58 4.82 0.00 2.89 0.01 -1.26 -2.06 114.94 117.76 2kma s ASN 75 Ca 0.05 1.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 2kma s ASN 75 Cb -0.01 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2kma s ASN 75 CO 0.04 -2.54 0.00 0.61 -1.51 0.00 0.00 177.10 173.70 2kma n GLY 76 N 5.90 1.22 3.74 0.66 0.00 -0.57 -4.91 105.19 111.24 2kma n GLY 76 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.89 7.41 -0.16 1.61 1.01 -0.88 -4.78 116.67 119.99 2kma s ASP 77 Ca 0.00 2.01 -0.26 0.00 0.71 0.00 0.00 52.55 55.01 2kma s ASP 77 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 2kma s ASP 77 CO 0.00 -0.09 0.85 -0.89 0.21 0.00 0.00 175.17 175.26 2kma s THR 78 N -0.51 4.87 -0.25 -1.27 2.01 -1.26 -1.14 115.64 118.09 2kma s THR 78 Ca 0.46 1.68 0.03 0.00 0.31 0.00 0.00 61.69 64.17 2kma s THR 78 Cb -0.27 -4.16 0.05 0.00 0.01 0.00 0.00 72.50 68.13 2kma s THR 78 CO 0.34 0.02 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.85 2kma s MET 79 N 2.14 2.34 -0.11 4.92 1.75 0.17 -3.20 119.30 127.31 2kma s MET 79 Ca 0.39 -1.25 -0.30 0.00 -1.25 0.00 0.00 55.69 53.29 2kma s MET 79 Cb -0.17 -2.82 -0.02 0.00 2.84 0.00 0.00 34.83 34.66 2kma s MET 79 CO 0.13 -0.51 1.10 -2.00 -0.65 0.00 0.00 175.02 173.09 2kma s GLU 80 N 1.14 4.36 -0.51 4.11 2.12 0.18 -2.75 118.70 127.35 2kma s GLU 80 Ca -0.07 1.51 -0.16 0.00 0.36 0.00 0.00 54.97 56.62 2kma s GLU 80 Cb -0.19 -3.58 0.10 0.00 0.26 0.00 0.00 34.13 30.72 2kma s GLU 80 CO -0.06 -0.44 0.47 -0.47 -0.54 0.00 0.00 175.26 174.21 2kma s TYR 81 N 2.39 3.23 0.13 5.30 5.04 -1.08 -0.33 117.35 132.02 2kma s TYR 81 Ca 0.51 -1.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.10 2kma s TYR 81 Cb -0.20 -3.50 -0.04 0.00 0.35 0.00 0.00 41.96 38.56 2kma s TYR 81 CO 0.17 -0.93 -0.07 -0.98 -1.34 0.00 0.00 175.55 172.40 2kma s ARG 82 N 1.72 0.97 0.10 4.97 1.70 -0.90 -4.11 118.95 123.40 2kma s ARG 82 Ca 0.04 -1.42 -0.32 0.00 -0.47 0.00 0.00 55.73 53.57 2kma s ARG 82 Cb -0.27 -0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 33.60 2kma s ARG 82 CO 0.05 0.01 1.80 1.17 -1.08 0.00 0.00 175.30 177.25 2kma n LYS 83 N -0.14 2.61 -0.34 3.89 4.81 -1.26 -0.44 118.16 127.28 2kma n LYS 83 Ca -0.11 0.95 0.17 0.00 -0.87 0.00 0.00 58.31 58.45 2kma n LYS 83 Cb 0.61 -2.82 0.39 0.00 0.02 0.00 0.00 35.03 33.23 2kma n LYS 83 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2kma h LYS 84 N 8.19 0.59 -6.30 1.64 1.79 0.29 -3.41 116.57 119.36 2kma h LYS 84 Ca -0.46 -0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.41 2kma h LYS 84 Cb 1.23 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.72 2kma h LYS 84 CO 0.94 0.39 -0.22 -0.65 -1.08 0.00 0.00 179.45 178.83 2kma s GLN 85 N -5.75 3.69 0.08 3.15 -0.21 -1.25 0.32 119.66 119.69 2kma s GLN 85 Ca -0.11 0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.36 2kma s GLN 85 Cb 0.26 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 2kma s GLN 85 CO 0.80 0.39 -0.09 -0.98 -2.12 0.00 0.00 175.29 173.29 2kma s ARG 86 N -2.80 0.75 -0.31 2.91 1.04 -0.38 -4.76 118.95 115.39 2kma s ARG 86 Ca 0.44 -1.07 -0.28 0.00 -1.04 0.00 0.00 55.73 53.77 2kma s ARG 86 Cb -0.12 -0.40 -0.03 0.00 -2.04 0.00 0.00 34.95 32.36 2kma s ARG 86 CO 0.24 0.05 1.95 -1.25 -0.04 0.00 0.00 175.30 176.26 2kma s PRO 87 N -2.64 3.19 -0.21 3.89 0.04 -1.26 -2.87 135.00 135.15 2kma s PRO 87 Ca 0.02 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 2kma s PRO 87 Cb -0.03 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 2kma s PRO 87 CO -0.01 -2.03 0.07 -0.51 0.04 0.00 0.00 177.00 174.56 2kma s LEU 88 N 7.62 3.69 -0.30 -3.56 1.02 -0.48 -4.52 118.68 122.16 2kma s LEU 88 Ca 0.86 -0.02 -0.18 0.00 0.02 0.00 0.00 54.13 54.82 2kma s LEU 88 Cb -0.25 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 2kma s LEU 88 CO 0.33 0.10 0.51 -0.54 0.02 0.00 0.00 176.35 176.77 2kma s LYS 89 N 0.81 3.90 -0.08 1.70 3.01 -1.26 -1.38 119.74 126.44 2kma s LYS 89 Ca 0.04 0.12 0.03 0.00 -1.01 0.00 0.00 55.97 55.16 2kma s LYS 89 Cb -0.14 -3.71 0.00 0.00 -1.01 0.00 0.00 37.83 32.98 2kma s LYS 89 CO 0.02 -0.46 -0.19 0.42 0.51 0.00 0.00 175.35 175.66 2kma s ILE 90 N 2.34 1.63 -0.23 2.17 -1.09 0.11 0.05 121.20 126.18 2kma s ILE 90 Ca 0.20 -0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 57.78 2kma s ILE 90 Cb -0.15 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 2kma s ILE 90 CO 0.11 0.46 0.04 -0.60 -1.23 0.00 0.00 174.94 173.73 2kma s ARG 91 N 0.39 3.66 0.83 2.79 3.52 -0.46 0.02 118.95 129.70 2kma s ARG 91 Ca -0.14 -0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2kma s ARG 91 Cb -0.16 -3.23 0.13 0.00 -1.56 0.00 0.00 34.95 30.13 2kma s ARG 91 CO 0.06 -0.09 1.17 -1.64 -0.81 0.00 0.00 175.30 173.98 2kma s MET 92 N 1.33 1.49 0.23 5.12 -1.94 0.25 -0.75 119.30 125.03 2kma s MET 92 Ca 0.05 -0.33 -0.06 0.00 -1.71 0.00 0.00 55.69 53.64 2kma s MET 92 Cb -0.15 -2.01 0.35 0.00 2.01 0.00 0.00 34.83 35.03 2kma s MET 92 CO 0.03 -1.80 1.79 -0.07 -0.01 0.00 0.00 175.02 174.96 2kma h LEU 93 N -1.10 0.51 -0.93 -0.03 -0.00 -1.87 0.43 115.31 112.32 2kma h LEU 93 Ca -0.44 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2kma h LEU 93 Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2kma h LEU 93 CO 0.51 0.29 0.00 -0.67 -0.00 0.00 0.00 178.44 178.57 2kma n ASP 94 N -4.84 0.67 0.00 -0.43 2.03 -1.26 -4.81 116.55 107.92 2kma n ASP 94 Ca 0.12 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.13 2kma n ASP 94 Cb 0.28 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 -0.33 1.07 3.69 0.27 0.00 0.15 -5.07 105.19 104.96 2kma n GLY 95 Ca 0.01 0.00 -0.40 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 4.98 -0.11 2.61 2.01 -1.22 -4.73 115.64 117.17 2kma s THR 96 Ca 0.00 1.47 -0.04 0.00 0.31 0.00 0.00 61.69 63.43 2kma s THR 96 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2kma s THR 96 CO 0.00 0.14 0.05 0.54 -0.69 0.00 0.00 174.62 174.65 2kma s VAL 97 N 1.54 4.68 0.06 3.82 0.11 -1.26 0.87 120.40 130.22 2kma s VAL 97 Ca 0.36 -0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2kma s VAL 97 Cb -0.17 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 2kma s VAL 97 CO 0.15 0.58 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.86 2kma s LYS 98 N -0.65 0.61 -0.27 1.54 -2.85 0.10 -4.96 119.74 113.27 2kma s LYS 98 Ca 0.11 -1.13 -0.06 0.00 -1.00 0.00 0.00 55.97 53.89 2kma s LYS 98 Cb -0.12 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.73 2kma s LYS 98 CO 0.02 -0.07 0.05 0.99 0.10 0.00 0.00 175.35 176.44 2kma s THR 99 N -3.37 3.86 0.04 3.79 2.01 -1.26 0.10 115.64 120.81 2kma s THR 99 Ca 0.04 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2kma s THR 99 Cb 0.04 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2kma s THR 99 CO -0.07 0.18 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.34 2kma s ILE 100 N 1.50 2.78 -0.41 1.82 1.10 -0.48 -4.91 121.20 122.61 2kma s ILE 100 Ca 0.03 -1.18 -0.21 0.00 -0.51 0.00 0.00 60.65 58.78 2kma s ILE 100 Cb -0.16 -2.17 0.02 0.00 0.15 0.00 0.00 42.46 40.29 2kma s ILE 100 CO 0.01 0.34 0.66 -0.04 -2.11 0.00 0.00 174.94 173.80 2kma s MET 101 N -1.42 3.46 -0.09 3.50 -1.94 -1.26 -1.38 119.30 120.17 2kma s MET 101 Ca 0.14 -0.16 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 2kma s MET 101 Cb -0.10 -3.89 -0.02 0.00 2.01 0.00 0.00 34.83 32.83 2kma s MET 101 CO 0.05 -0.91 -0.17 0.08 -0.01 0.00 0.00 175.02 174.06 2kma s VAL 102 N 2.84 2.79 0.09 -6.03 1.01 -1.14 -4.76 120.40 115.21 2kma s VAL 102 Ca 0.24 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 2kma s VAL 102 Cb -0.14 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 2kma s VAL 102 CO 0.18 0.56 1.90 -0.67 0.00 0.00 0.00 175.10 177.06 2kma n ASP 103 N 3.00 4.11 0.00 3.32 2.03 -1.26 -1.26 116.55 126.49 2kma n ASP 103 Ca -0.18 0.95 0.12 0.00 0.52 0.00 0.00 54.79 56.20 2kma n ASP 103 Cb 0.52 -1.54 0.55 0.00 -0.72 0.00 0.00 41.12 39.93 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kma n ASP 104 N 6.39 0.00 -0.04 1.67 2.03 0.15 -2.59 116.55 124.16 2kma n ASP 104 Ca 0.19 0.30 0.15 0.00 0.52 0.00 0.00 54.79 55.95 2kma n ASP 104 Cb 0.39 -0.42 0.85 0.00 -0.72 0.00 0.00 41.12 41.22 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 -1.42 0.12 -4.42 1.67 7.64 -1.26 -4.70 113.62 111.25 2kma n SER 105 Ca 0.08 -0.78 -0.21 0.00 1.01 0.00 0.00 58.87 58.97 2kma n SER 105 Cb 0.25 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kma s LYS 106 N -2.18 1.53 0.00 1.43 0.00 -1.07 -5.09 119.74 114.36 2kma s LYS 106 Ca 0.41 -1.78 0.00 0.00 0.00 0.00 0.00 55.97 54.60 2kma s LYS 106 Cb 0.21 -1.09 0.00 0.00 0.00 0.00 0.00 37.83 36.95 2kma s LYS 106 CO 0.40 0.02 0.00 0.25 0.00 0.00 0.00 175.35 176.02 2kma n THR 107 N -0.57 0.00 -0.02 3.79 -2.24 -1.26 -4.56 114.28 109.42 2kma n THR 107 Ca -0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 2kma n THR 107 Cb 0.63 -1.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 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 -0.07 1.43 -0.40 2.28 2.07 -1.89 -3.13 116.25 116.54 2kma h VAL 108 Ca 0.00 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 65.67 2kma h VAL 108 Cb 0.00 2.47 -0.09 0.00 -1.52 0.00 0.00 31.29 32.15 2kma h VAL 108 CO 0.00 0.55 -0.47 0.74 0.02 0.00 0.00 177.57 178.41 2kma h THR 109 N -0.13 0.07 -0.45 2.57 2.02 -1.95 0.13 112.91 115.16 2kma h THR 109 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2kma h THR 109 Cb 1.14 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2kma h THR 109 CO 0.09 0.00 0.28 -0.78 0.37 0.00 0.00 175.52 175.48 2kma h ASP 110 N -0.36 0.52 0.13 4.18 1.82 -1.96 0.61 116.42 121.37 2kma h ASP 110 Ca 0.12 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 2kma h ASP 110 Cb 0.59 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2kma h ASP 110 CO -0.58 0.40 -0.06 -0.03 -1.61 0.00 0.00 179.24 177.36 2kma h MET 111 N 0.61 -0.16 -0.71 0.28 4.05 -1.11 0.77 114.93 118.65 2kma h MET 111 Ca 0.16 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.53 2kma h MET 111 Cb -0.03 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 2kma h MET 111 CO -0.03 -0.10 0.20 1.25 0.23 0.00 0.00 176.91 178.46 2kma h LEU 112 N -0.18 1.06 -0.79 3.39 5.85 -0.22 0.15 115.31 124.57 2kma h LEU 112 Ca -0.02 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.59 2kma h LEU 112 Cb 0.14 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 2kma h LEU 112 CO 0.03 1.00 0.42 -0.03 -0.34 0.00 0.00 178.44 179.53 2kma h MET 113 N 1.07 0.67 -0.07 1.25 4.05 -0.64 0.37 114.93 121.62 2kma h MET 113 Ca 0.23 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2kma h MET 113 Cb 0.34 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2kma h MET 113 CO -0.00 0.44 0.00 1.15 0.23 0.00 0.00 176.91 178.73 2kma h THR 114 N 0.69 1.24 -0.19 -0.77 2.02 0.11 -3.14 112.91 112.86 2kma h THR 114 Ca 0.40 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2kma h THR 114 Cb 0.44 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2kma h THR 114 CO -0.28 0.20 0.00 0.40 0.37 0.00 0.00 175.52 176.21 2kma h ILE 115 N -0.15 1.25 0.00 3.11 2.04 0.04 -2.45 117.51 121.35 2kma h ILE 115 Ca 0.02 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2kma h ILE 115 Cb 0.32 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2kma h ILE 115 CO 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 178.15 178.26 2kma h ALA 117 N 1.84 0.73 -0.41 0.00 0.00 -1.42 0.33 119.26 120.33 2kma h ALA 117 Ca -0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 2kma h ALA 117 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kma h ALA 117 CO 0.02 0.89 -0.28 0.00 0.00 0.00 0.00 179.25 179.88 2kma h ARG 118 N 0.05 0.89 -0.01 0.00 2.47 -0.72 -3.18 114.38 113.88 2kma h ARG 118 Ca -0.02 -0.40 -0.01 0.00 -1.26 0.00 0.00 59.98 58.29 2kma h ARG 118 Cb 1.33 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2kma h ARG 118 CO 0.10 1.05 -0.04 0.82 0.56 0.00 0.00 179.97 182.47 2kma h ILE 119 N 0.76 1.51 0.00 2.04 1.08 -1.44 -3.48 117.51 117.98 2kma h ILE 119 Ca 0.09 -1.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 2kma h ILE 119 Cb 0.84 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 2kma h ILE 119 CO 0.07 0.41 0.00 0.61 -0.69 0.00 0.00 178.15 178.55 2kma n GLY 120 N 0.67 1.95 0.12 5.37 0.00 -0.35 -5.05 105.19 107.91 2kma n GLY 120 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2kma n GLY 120 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kma h ILE 121 N 0.00 1.12 -3.00 -0.61 2.04 -0.70 -3.48 117.51 112.87 2kma h ILE 121 Ca 0.00 -2.40 -0.40 0.00 1.00 0.00 0.00 64.86 63.06 2kma h ILE 121 Cb 0.00 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2kma h ILE 121 CO 0.00 0.68 -0.52 0.41 0.00 0.00 0.00 178.15 178.72 2kma n THR 122 N -4.01 -1.05 -3.66 -0.27 -1.04 -1.17 -4.97 114.28 98.12 2kma n THR 122 Ca -0.23 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.69 2kma n THR 122 Cb 0.86 -2.93 -0.09 0.00 -1.82 0.00 0.00 70.33 66.35 2kma n THR 122 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2kma s ASN 123 N -2.16 -0.34 0.00 8.00 2.47 -1.26 -5.02 114.94 116.63 2kma s ASN 123 Ca 0.03 1.01 0.00 0.00 0.42 0.00 0.00 52.86 54.32 2kma s ASN 123 Cb -0.01 1.32 0.00 0.00 -1.45 0.00 0.00 41.25 41.10 2kma s ASN 123 CO 0.04 -0.23 0.45 0.00 -3.72 0.00 0.00 177.10 173.64 2kma n HIS 124 N 5.23 0.00 0.05 0.43 1.44 -1.26 -4.82 115.22 116.29 2kma n HIS 124 Ca -0.11 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.44 2kma n HIS 124 Cb 0.50 0.03 -0.14 0.00 0.12 0.00 0.00 29.99 30.50 2kma n HIS 124 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2kma h ASP 125 N 0.00 0.36 -0.11 4.39 3.58 -1.97 -3.31 116.42 119.36 2kma h ASP 125 Ca 0.00 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.91 2kma h ASP 125 Cb 1.04 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2kma h ASP 125 CO 0.00 1.46 0.00 -1.84 -2.88 0.00 0.00 179.24 175.98 2kma n GLU 126 N -3.42 1.56 -4.24 0.28 0.28 -1.26 -4.85 120.64 108.99 2kma n GLU 126 Ca -0.18 -0.84 -0.31 0.00 -0.16 0.00 0.00 57.16 55.67 2kma n GLU 126 Cb 1.04 -1.39 -0.09 0.00 1.43 0.00 0.00 31.44 32.43 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2kma s TYR 127 N -1.86 2.89 0.19 -1.84 2.02 -1.25 -0.22 117.35 117.29 2kma s TYR 127 Ca 0.33 -0.07 0.10 0.00 -0.37 0.00 0.00 57.07 57.06 2kma s TYR 127 Cb 0.17 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2kma s TYR 127 CO 0.27 0.44 -0.20 -1.12 -1.57 0.00 0.00 175.55 173.36 2kma s SER 128 N -2.05 3.08 -0.09 2.29 0.01 0.99 -4.80 113.70 113.14 2kma s SER 128 Ca 0.22 -0.89 -0.14 0.00 1.31 0.00 0.00 55.95 56.45 2kma s SER 128 Cb -0.11 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 2kma s SER 128 CO 0.14 0.03 0.35 -0.22 0.41 0.00 0.00 173.24 173.95 2kma s LEU 129 N -2.81 4.36 -0.16 2.44 1.98 -1.21 -2.36 118.68 120.92 2kma s LEU 129 Ca 0.20 0.73 -0.01 0.00 -2.89 0.00 0.00 54.13 52.16 2kma s LEU 129 Cb -0.06 -2.47 0.04 0.00 0.66 0.00 0.00 46.19 44.36 2kma s LEU 129 CO 0.09 0.21 -0.05 0.54 -1.89 0.00 0.00 176.35 175.25 2kma s VAL 130 N -0.30 1.06 -0.52 1.68 0.11 -0.63 0.15 120.40 121.95 2kma s VAL 130 Ca 0.21 -0.57 -0.17 0.00 -2.93 0.00 0.00 61.98 58.52 2kma s VAL 130 Cb -0.15 -1.23 0.10 0.00 -1.53 0.00 0.00 36.38 33.58 2kma s VAL 130 CO 0.09 0.14 0.51 -0.13 -3.33 0.00 0.00 175.10 172.38 2kma s ARG 131 N 1.66 3.01 -0.60 1.54 0.52 0.17 0.43 118.95 125.67 2kma s ARG 131 Ca 0.01 -1.44 -0.28 0.00 -0.52 0.00 0.00 55.73 53.50 2kma s ARG 131 Cb -0.15 -4.22 0.03 0.00 0.52 0.00 0.00 34.95 31.13 2kma s ARG 131 CO -0.08 -1.25 1.25 -1.21 0.02 0.00 0.00 175.30 174.03 2kma s GLU 132 N 1.89 3.43 0.44 3.54 2.02 -0.72 -3.30 118.70 126.00 2kma s GLU 132 Ca 0.06 0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.30 2kma s GLU 132 Cb -0.26 -4.06 0.04 0.00 0.10 0.00 0.00 34.13 29.95 2kma s GLU 132 CO 0.06 -1.80 0.33 1.28 0.02 0.00 0.00 175.26 175.15 2kma n LEU 133 N 8.80 0.00 -1.22 1.80 4.77 -1.23 -3.44 117.00 126.48 2kma n LEU 133 Ca 0.08 -2.27 0.12 0.00 -0.03 0.00 0.00 56.01 53.92 2kma n LEU 133 Cb 0.49 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.79 2kma n LEU 133 CO 0.71 -0.52 0.72 1.15 -1.33 0.00 0.00 177.39 178.12 2kma n MET 134 N -1.54 2.58 -1.44 3.23 0.00 -1.26 -4.82 117.12 113.87 2kma n MET 134 Ca -0.01 -2.41 -0.56 0.00 0.00 0.00 0.00 57.70 54.72 2kma n MET 134 Cb 0.50 -1.53 -0.09 0.00 0.00 0.00 0.00 33.22 32.10 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 1.55 0.67 0.25 3.17 -0.58 -1.26 -4.81 120.64 119.62 2kma n GLU 135 Ca 0.21 0.20 0.14 0.00 -0.42 0.00 0.00 57.16 57.29 2kma n GLU 135 Cb 0.61 -2.02 0.53 0.00 -0.57 0.00 0.00 31.44 29.99 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 9.96 0.00 0.00 3.49 4.11 -2.00 0.16 114.58 130.31 2kma h GLU 136 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2kma h GLU 136 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2kma h GLU 136 CO 1.03 0.08 -0.09 0.87 0.07 0.00 0.00 179.01 180.98 2kma h LYS 137 N 0.00 0.00 0.30 1.06 1.57 -2.00 -3.42 116.57 114.07 2kma h LYS 137 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2kma h LYS 137 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2kma h LYS 137 CO 0.01 0.00 -0.14 0.87 -0.57 0.00 0.00 179.45 179.62 2kma h LYS 138 N -0.49 -0.38 -5.97 3.15 1.57 -1.97 -3.48 116.57 109.00 2kma h LYS 138 Ca 0.00 0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.50 2kma h LYS 138 Cb 0.09 0.09 0.08 0.00 0.08 0.00 0.00 32.23 32.56 2kma h LYS 138 CO 0.00 -0.25 -0.73 -3.47 -0.57 0.00 0.00 179.45 174.42 2kma n ASP 169 N -4.67 -6.07 -4.47 0.86 2.03 0.04 -5.04 116.55 99.23 2kma n ASP 169 Ca -0.05 -0.74 -0.24 0.00 0.52 0.00 0.00 54.79 54.28 2kma n ASP 169 Cb 0.16 -3.90 -0.10 0.00 -0.72 0.00 0.00 41.12 36.55 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 -4.88 1.77 0.31 -0.67 2.02 -1.26 -5.00 118.70 110.98 2kma s GLU 170 Ca 0.30 -2.01 0.25 0.00 0.02 0.00 0.00 54.97 53.53 2kma s GLU 170 Cb -0.09 -1.04 0.70 0.00 0.10 0.00 0.00 34.13 33.80 2kma s GLU 170 CO 0.82 -0.20 1.73 -0.07 0.02 0.00 0.00 175.26 177.56 2kma h LEU 171 N 1.97 0.00 -3.03 1.80 3.38 -1.97 -3.27 115.31 114.18 2kma h LEU 171 Ca -0.41 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.33 2kma h LEU 171 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 171 CO 0.71 0.00 -0.80 0.59 0.09 0.00 0.00 178.44 179.03 2kma n ASN 172 N -2.58 -6.47 -4.46 -0.43 3.02 -1.21 0.41 115.26 103.55 2kma n ASN 172 Ca 0.05 -0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 2kma n ASN 172 Cb 0.44 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.25 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 -2.31 2.91 0.07 3.10 0.52 -1.26 0.06 118.94 122.04 2kma s TRP 173 Ca 0.22 -1.05 -0.31 0.00 0.02 0.00 0.00 56.10 54.99 2kma s TRP 173 Cb -0.04 -4.32 -0.09 0.00 -1.15 0.00 0.00 33.47 27.88 2kma s TRP 173 CO 0.83 -1.58 1.79 -0.51 0.02 0.00 0.00 176.95 177.50 2kma s LEU 174 N 3.36 4.39 -0.21 2.99 1.43 0.41 -4.87 118.68 126.18 2kma s LEU 174 Ca 0.30 2.60 0.12 0.00 -1.03 0.00 0.00 54.13 56.12 2kma s LEU 174 Cb -0.09 -3.55 0.71 0.00 0.03 0.00 0.00 46.19 43.28 2kma s LEU 174 CO -0.02 -0.97 1.58 -0.67 0.23 0.00 0.00 176.35 176.49 2kma n ASP 175 N 6.23 5.07 -3.33 2.29 2.03 -1.26 -3.34 116.55 124.23 2kma n ASP 175 Ca 0.18 -2.81 -0.17 0.00 0.52 0.00 0.00 54.79 52.50 2kma n ASP 175 Cb 0.40 -0.66 0.08 0.00 -0.72 0.00 0.00 41.12 40.22 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kma n HIS 176 N 0.52 -2.20 0.00 -0.67 8.25 -1.26 -4.87 115.22 114.98 2kma n HIS 176 Ca 0.24 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.61 2kma n HIS 176 Cb 1.08 -4.92 0.00 0.00 1.12 0.00 0.00 29.99 27.27 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 -1.27 0.00 3.82 -1.41 0.00 -1.26 -4.76 105.19 100.31 2kma n GLY 177 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.93 3.24 0.57 1.61 3.52 -1.26 -5.01 118.95 120.69 2kma s ARG 178 Ca 0.00 -0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.15 2kma s ARG 178 Cb 0.00 -3.00 -0.06 0.00 -1.56 0.00 0.00 34.95 30.33 2kma s ARG 178 CO 0.00 0.71 1.00 -0.08 -0.81 0.00 0.00 175.30 176.11 2kma s THR 179 N -1.11 4.65 0.03 4.11 -1.32 -1.26 -4.30 115.64 116.44 2kma s THR 179 Ca 0.19 0.98 -0.25 0.00 -1.21 0.00 0.00 61.69 61.41 2kma s THR 179 Cb -0.12 -3.81 -0.18 0.00 -1.51 0.00 0.00 72.50 66.89 2kma s THR 179 CO 0.09 -0.94 1.48 -0.07 -2.21 0.00 0.00 174.62 172.97 2kma h LEU 180 N 0.23 -0.03 -1.43 9.08 3.38 -1.84 -1.64 115.31 123.07 2kma h LEU 180 Ca -0.45 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2kma h LEU 180 Cb 1.19 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2kma h LEU 180 CO 0.62 0.23 0.35 0.03 0.09 0.00 0.00 178.44 179.76 2kma h ARG 181 N -0.29 0.73 0.00 1.13 3.08 -1.91 -1.27 114.38 115.86 2kma h ARG 181 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2kma h ARG 181 Cb 0.27 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2kma h ARG 181 CO 0.01 0.50 0.00 -1.91 -1.07 0.00 0.00 179.97 177.49 2kma n GLU 182 N -4.44 0.17 0.10 0.04 2.13 -0.79 -1.07 120.64 116.78 2kma n GLU 182 Ca 0.05 0.30 0.13 0.00 0.66 0.00 0.00 57.16 58.30 2kma n GLU 182 Cb 0.06 -1.77 0.33 0.00 0.27 0.00 0.00 31.44 30.33 2kma n GLU 182 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2kma h GLN 183 N 0.00 0.00 -3.58 5.31 4.20 -0.32 -3.48 115.11 117.24 2kma h GLN 183 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2kma h GLN 183 Cb 0.47 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.31 2kma h GLN 183 CO 0.00 0.00 -0.44 0.41 -0.67 0.00 0.00 178.83 178.13 2kma n GLY 184 N 1.30 -0.16 4.01 3.46 0.00 -0.24 -5.02 105.19 108.55 2kma n GLY 184 Ca 0.05 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.05 2.06 0.00 1.61 -7.23 -1.24 -5.07 120.40 107.48 2kma s VAL 185 Ca 0.26 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2kma s VAL 185 Cb -0.12 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2kma s VAL 185 CO 0.33 0.00 0.00 -1.84 -0.31 0.00 0.00 175.10 173.28 2kma n GLU 186 N -2.69 2.61 -0.97 4.82 -0.00 -1.26 -4.91 120.64 118.24 2kma n GLU 186 Ca 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.36 2kma n GLU 186 Cb 0.61 0.00 0.15 0.00 -0.00 0.00 0.00 31.44 32.20 2kma n GLU 186 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2kma n GLU 187 N -0.15 1.33 0.00 3.44 1.02 -1.26 -4.83 120.64 120.19 2kma n GLU 187 Ca 0.00 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 2kma n GLU 187 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.68 0.00 -2.10 -0.32 1.44 -1.26 -4.70 115.22 107.60 2kma n HIS 188 Ca 0.17 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.60 2kma n HIS 188 Cb 0.83 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.99 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 0.00 2.54 -0.14 -1.40 0.41 -1.26 -4.92 118.70 113.93 2kma s GLU 189 Ca 0.00 0.09 -0.29 0.00 -0.41 0.00 0.00 54.97 54.36 2kma s GLU 189 Cb 0.00 -2.11 -0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2kma s GLU 189 CO 0.00 -1.10 1.14 0.99 -0.49 0.00 0.00 175.26 175.80 2kma s THR 190 N -3.27 4.47 -0.11 3.63 2.01 -1.22 -4.30 115.64 116.84 2kma s THR 190 Ca 0.58 1.78 -0.01 0.00 0.31 0.00 0.00 61.69 64.34 2kma s THR 190 Cb -0.11 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2kma s THR 190 CO 0.48 -0.08 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 2kma s LEU 191 N 2.76 3.20 -0.08 4.42 2.01 0.11 -1.76 118.68 129.33 2kma s LEU 191 Ca 0.51 -0.08 0.01 0.00 0.01 0.00 0.00 54.13 54.58 2kma s LEU 191 Cb -0.20 -1.73 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 2kma s LEU 191 CO 0.15 0.27 -0.09 -0.76 1.01 0.00 0.00 176.35 176.94 2kma s LEU 192 N -0.24 3.04 -0.28 1.79 1.43 0.17 -1.35 118.68 123.24 2kma s LEU 192 Ca 0.04 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 2kma s LEU 192 Cb -0.13 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2kma s LEU 192 CO 0.02 0.32 0.65 -0.22 0.23 0.00 0.00 176.35 177.36 2kma s LEU 193 N -0.53 4.10 0.06 1.79 0.20 0.07 -1.60 118.68 122.77 2kma s LEU 193 Ca 0.08 0.61 0.06 0.00 0.69 0.00 0.00 54.13 55.57 2kma s LEU 193 Cb -0.12 -2.88 -0.03 0.00 -0.43 0.00 0.00 46.19 42.74 2kma s LEU 193 CO 0.02 -0.44 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.33 2kma s ARG 194 N 2.61 1.06 -0.12 1.98 1.81 -0.99 -4.23 118.95 121.06 2kma s ARG 194 Ca 0.27 -0.93 -0.18 0.00 -1.72 0.00 0.00 55.73 53.16 2kma s ARG 194 Cb -0.15 -1.16 -0.04 0.00 -0.45 0.00 0.00 34.95 33.15 2kma s ARG 194 CO 0.10 0.28 0.47 -0.98 -0.68 0.00 0.00 175.30 174.49 2kma s ARG 195 N -1.45 4.33 -0.14 3.54 1.70 -1.26 -0.01 118.95 125.67 2kma s ARG 195 Ca 0.03 0.43 -0.22 0.00 -0.47 0.00 0.00 55.73 55.50 2kma s ARG 195 Cb -0.09 -3.44 -0.25 0.00 -0.57 0.00 0.00 34.95 30.60 2kma s ARG 195 CO 0.02 0.15 0.55 -0.22 -1.08 0.00 0.00 175.30 174.73 2kma h LYS 196 N 6.75 0.11 -6.19 3.89 3.64 -0.90 -3.46 116.57 120.39 2kma h LYS 196 Ca -0.41 -0.18 -0.58 0.00 -1.27 0.00 0.00 60.65 58.21 2kma h LYS 196 Cb 1.18 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 2kma h LYS 196 CO 0.76 1.09 -0.28 -0.06 -2.27 0.00 0.00 179.45 178.68 2kma s PHE 197 N -2.36 3.48 -0.54 1.91 0.08 -1.18 -5.03 117.98 114.33 2kma s PHE 197 Ca -0.22 0.61 0.07 0.00 0.12 0.00 0.00 56.93 57.51 2kma s PHE 197 Cb 0.02 -2.05 0.24 0.00 -0.57 0.00 0.00 43.02 40.67 2kma s PHE 197 CO 0.70 0.42 0.63 1.19 -0.10 0.00 0.00 175.22 178.06 2kma n PHE 198 N 0.13 1.88 0.99 0.36 3.01 -1.26 -4.96 117.46 117.62 2kma n PHE 198 Ca -0.03 -3.90 0.00 0.00 1.01 0.00 0.00 57.45 54.53 2kma n PHE 198 Cb 0.52 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2kma n PHE 198 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2kma n TYR 199 N 1.23 0.00 -3.65 1.38 0.18 -1.26 -4.76 117.16 110.28 2kma n TYR 199 Ca 0.26 -0.36 -0.24 0.00 1.88 0.00 0.00 57.90 59.44 2kma n TYR 199 Cb 0.46 -0.21 0.07 0.00 -0.38 0.00 0.00 39.34 39.27 2kma n TYR 199 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2kma n SER 200 N 0.37 -4.96 0.29 9.48 7.64 -1.26 -4.85 113.62 120.33 2kma n SER 200 Ca 0.00 -0.63 0.17 0.00 1.01 0.00 0.00 58.87 59.42 2kma n SER 200 Cb 0.43 -4.73 0.85 0.00 -1.01 0.00 0.00 64.21 59.75 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 -2.39 0.00 -0.02 6.43 2.03 -1.97 -3.57 116.42 116.93 2kma h ASP 201 Ca -0.58 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.72 2kma h ASP 201 Cb 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 2kma h ASP 201 CO 0.58 0.05 0.00 0.00 -1.03 0.00 0.00 179.24 178.84