#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma s ILE -4 N 0.00 -0.21 -0.23 -0.61 1.10 -1.26 -5.07 121.20 114.92 2kma s ILE -4 Ca 0.00 0.27 0.00 0.00 -0.51 0.00 0.00 60.65 60.41 2kma s ILE -4 Cb 0.00 -0.33 0.06 0.00 0.15 0.00 0.00 42.46 42.34 2kma s ILE -4 CO 0.00 0.07 -0.04 -1.81 -2.11 0.00 0.00 174.94 171.05 2kma s ASP -3 N 2.25 3.72 0.60 4.50 1.01 -1.26 -5.12 116.67 122.36 2kma s ASP -3 Ca 0.04 -1.13 -0.18 0.00 0.71 0.00 0.00 52.55 51.99 2kma s ASP -3 Cb -0.13 -1.09 -0.10 0.00 1.01 0.00 0.00 42.92 42.60 2kma s ASP -3 CO -0.06 -0.25 0.24 -2.65 0.21 0.00 0.00 175.17 172.67 2kma n PRO -2 N 4.72 0.28 -2.04 8.23 -0.02 -1.26 -4.75 135.00 140.16 2kma n PRO -2 Ca -0.11 0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 2kma n PRO -2 Cb 0.44 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 2kma n PRO -2 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2kma n PHE -1 N -1.80 3.10 0.00 6.00 -1.74 -1.26 -4.87 117.46 116.89 2kma n PHE -1 Ca 0.09 -1.91 0.00 0.00 -0.56 0.00 0.00 57.45 55.08 2kma n PHE -1 Cb 0.48 -2.49 0.00 0.00 1.52 0.00 0.00 39.48 38.99 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2kma n THR 0 N 7.09 0.00 -0.96 1.97 -2.24 -1.26 -4.69 114.28 114.20 2kma n THR 0 Ca 0.47 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.12 2kma n THR 0 Cb 0.45 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.79 -3.32 -0.78 1.56 -1.26 -4.41 117.12 110.70 2kma n MET 1 Ca 0.00 -1.13 -0.22 0.00 -0.27 0.00 0.00 57.70 56.08 2kma n MET 1 Cb 0.00 -1.70 -0.09 0.00 2.15 0.00 0.00 33.22 33.58 2kma n MET 1 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2kma s VAL 2 N -0.52 -0.03 0.02 1.12 -7.23 -1.26 -5.12 120.40 107.37 2kma s VAL 2 Ca 0.42 -1.84 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2kma s VAL 2 Cb 0.24 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2kma s VAL 2 CO -0.05 -0.88 -0.01 0.00 -0.31 0.00 0.00 175.10 173.85 2kma s ALA 3 N 0.71 0.07 -0.09 1.32 0.00 -1.26 -4.19 121.76 118.32 2kma s ALA 3 Ca 0.25 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2kma s ALA 3 Cb -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2kma s ALA 3 CO -0.09 -0.15 -0.10 -0.51 0.00 0.00 0.00 175.76 174.91 2kma s LEU 4 N -1.29 2.92 -0.48 0.00 1.43 0.38 -4.85 118.68 116.79 2kma s LEU 4 Ca -0.14 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2kma s LEU 4 Cb -0.09 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.57 2kma s LEU 4 CO -0.01 0.27 0.40 -0.44 0.23 0.00 0.00 176.35 176.81 2kma s SER 5 N -0.29 6.13 -0.09 2.29 0.01 -1.26 -1.39 113.70 119.09 2kma s SER 5 Ca 0.03 -1.38 0.02 0.00 1.31 0.00 0.00 55.95 55.93 2kma s SER 5 Cb -0.13 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 2kma s SER 5 CO 0.03 -0.66 -0.15 -0.76 0.41 0.00 0.00 173.24 172.10 2kma s LEU 6 N 1.63 2.62 -0.49 2.44 1.43 0.57 -0.92 118.68 125.96 2kma s LEU 6 Ca 0.04 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2kma s LEU 6 Cb -0.25 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2kma s LEU 6 CO 0.06 0.24 1.14 -0.54 0.23 0.00 0.00 176.35 177.47 2kma s LYS 7 N -0.08 3.70 -0.65 1.70 1.02 -0.59 -1.74 119.74 123.09 2kma s LYS 7 Ca -0.03 0.53 -0.24 0.00 0.02 0.00 0.00 55.97 56.25 2kma s LYS 7 Cb -0.14 -3.92 0.06 0.00 -0.52 0.00 0.00 37.83 33.31 2kma s LYS 7 CO 0.04 -1.40 1.02 0.42 -0.92 0.00 0.00 175.35 174.51 2kma s ILE 8 N 4.48 4.22 -0.27 2.17 -1.09 0.24 0.25 121.20 131.19 2kma s ILE 8 Ca 0.47 -0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 58.66 2kma s ILE 8 Cb -0.07 -4.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 2kma s ILE 8 CO 0.31 -1.46 0.38 -0.55 -1.23 0.00 0.00 174.94 172.39 2kma s SER 9 N 3.52 6.26 -0.74 3.58 0.15 -1.05 0.37 113.70 125.79 2kma s SER 9 Ca 0.26 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 57.18 2kma s SER 9 Cb -0.14 -2.21 0.19 0.00 -1.71 0.00 0.00 66.02 62.14 2kma s SER 9 CO 0.13 -0.19 0.58 -0.63 1.20 0.00 0.00 173.24 174.33 2kma s ILE 10 N 2.08 4.03 0.00 6.45 1.01 0.12 -0.09 121.20 134.79 2kma s ILE 10 Ca 0.15 -3.31 0.00 0.00 0.00 0.00 0.00 60.65 57.49 2kma s ILE 10 Cb -0.16 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2kma s ILE 10 CO 0.10 -0.97 0.00 0.61 0.00 0.00 0.00 174.94 174.68 2kma n GLY 11 N 3.04 1.50 0.62 6.18 0.00 -1.26 -3.07 105.19 112.21 2kma n GLY 11 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kma n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kma n ASN 12 N 3.35 0.19 -4.76 1.61 5.15 -1.26 -5.10 115.26 114.44 2kma n ASN 12 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 2kma n ASN 12 Cb 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.32 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kma s VAL 13 N -1.37 3.13 -0.05 3.44 0.11 -1.17 -5.03 120.40 119.45 2kma s VAL 13 Ca 0.00 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 2kma s VAL 13 Cb 0.00 -2.99 0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2kma s VAL 13 CO 0.00 -0.37 -0.03 0.54 -3.33 0.00 0.00 175.10 171.92 2kma s VAL 14 N -2.44 0.48 0.09 2.04 0.11 -1.26 0.12 120.40 119.53 2kma s VAL 14 Ca 0.66 -0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.78 2kma s VAL 14 Cb -0.21 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2kma s VAL 14 CO 0.46 0.24 -0.26 -0.54 -3.33 0.00 0.00 175.10 171.66 2kma s LYS 15 N 1.29 1.62 -0.32 1.54 -0.14 0.16 -4.94 119.74 118.95 2kma s LYS 15 Ca -0.05 -1.22 -0.13 0.00 -1.36 0.00 0.00 55.97 53.20 2kma s LYS 15 Cb -0.14 -1.96 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 2kma s LYS 15 CO -0.02 0.48 0.29 0.99 -0.76 0.00 0.00 175.35 176.33 2kma s THR 16 N -0.95 5.24 0.06 2.17 2.01 -1.26 0.79 115.64 123.69 2kma s THR 16 Ca 0.13 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2kma s THR 16 Cb -0.10 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2kma s THR 16 CO 0.05 0.03 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.84 2kma s MET 17 N 1.87 0.79 -0.04 4.92 -1.94 -0.71 -4.97 119.30 119.22 2kma s MET 17 Ca 0.09 -0.90 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 2kma s MET 17 Cb -0.17 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 35.89 2kma s MET 17 CO 0.11 0.17 -0.22 -0.65 -0.01 0.00 0.00 175.02 174.41 2kma s GLN 18 N -1.65 2.38 0.18 2.03 -0.21 -1.26 -0.31 119.66 120.82 2kma s GLN 18 Ca -0.03 -0.86 0.07 0.00 0.02 0.00 0.00 55.36 54.56 2kma s GLN 18 Cb -0.10 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 2kma s GLN 18 CO 0.02 0.51 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.51 2kma s PHE 19 N -0.47 1.54 0.39 0.91 0.08 -0.49 -4.89 117.98 115.05 2kma s PHE 19 Ca 0.06 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.25 2kma s PHE 19 Cb -0.11 -0.74 -0.10 0.00 -0.57 0.00 0.00 43.02 41.49 2kma s PHE 19 CO 0.01 0.25 0.96 -1.21 -0.10 0.00 0.00 175.22 175.13 2kma s GLU 20 N -3.58 4.34 0.54 0.44 2.02 -1.26 -0.47 118.70 120.73 2kma s GLU 20 Ca 0.19 1.24 0.25 0.00 0.02 0.00 0.00 54.97 56.66 2kma s GLU 20 Cb -0.00 -2.43 1.42 0.00 0.10 0.00 0.00 34.13 33.22 2kma s GLU 20 CO 0.04 0.06 2.03 -1.00 0.02 0.00 0.00 175.26 176.41 2kma h PRO 21 N 2.40 0.00 -0.01 0.39 0.13 -1.94 0.49 132.00 133.46 2kma h PRO 21 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kma h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kma h PRO 21 CO 0.62 0.00 -0.11 0.43 -0.23 0.00 0.00 178.00 178.72 2kma n SER 22 N -4.28 1.40 -4.60 1.44 7.64 -1.26 -2.99 113.62 110.97 2kma n SER 22 Ca 0.06 -1.29 -0.43 0.00 1.01 0.00 0.00 58.87 58.22 2kma n SER 22 Cb 0.49 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2kma n SER 22 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kma s THR 23 N -2.20 3.38 0.74 0.44 2.01 0.16 -4.78 115.64 115.39 2kma s THR 23 Ca 0.32 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.56 2kma s THR 23 Cb 0.20 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 69.26 2kma s THR 23 CO 0.41 -0.31 1.18 -0.32 -0.69 0.00 0.00 174.62 174.89 2kma s MET 24 N 5.74 2.14 0.31 4.92 1.75 -1.26 -1.68 119.30 131.22 2kma s MET 24 Ca 0.84 1.65 0.07 0.00 -1.25 0.00 0.00 55.69 57.00 2kma s MET 24 Cb -0.25 -1.85 0.85 0.00 2.84 0.00 0.00 34.83 36.42 2kma s MET 24 CO 0.34 -1.81 1.69 0.28 -0.65 0.00 0.00 175.02 174.87 2kma h VAL 25 N -0.44 0.42 -0.14 10.11 2.07 -1.74 0.24 116.25 126.77 2kma h VAL 25 Ca -0.47 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2kma h VAL 25 Cb 1.28 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2kma h VAL 25 CO 0.50 0.07 -0.23 0.10 0.02 0.00 0.00 177.57 178.03 2kma h TYR 26 N 0.40 0.27 0.08 1.57 -0.00 -1.87 -0.30 116.97 117.12 2kma h TYR 26 Ca 0.62 -0.05 -0.18 0.00 0.00 0.00 0.00 58.73 59.12 2kma h TYR 26 Cb 1.25 -0.07 0.02 0.00 0.00 0.00 0.00 36.73 37.93 2kma h TYR 26 CO -0.10 0.47 -0.76 0.22 -0.00 0.00 0.00 178.16 177.99 2kma h ASP 27 N 0.23 0.53 -0.23 0.10 3.58 -1.28 -3.14 116.42 116.21 2kma h ASP 27 Ca 0.04 -0.86 0.02 0.00 0.42 0.00 0.00 57.03 56.65 2kma h ASP 27 Cb 0.54 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2kma h ASP 27 CO 0.04 1.34 0.08 0.00 -2.88 0.00 0.00 179.24 177.81 2kma h ALA 28 N 0.20 0.26 -0.39 -0.78 0.00 -0.46 -1.87 119.26 116.23 2kma h ALA 28 Ca -0.12 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2kma h ALA 28 Cb 1.53 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2kma h ALA 28 CO 0.15 -0.34 0.27 0.00 0.00 0.00 0.00 179.25 179.33 2kma h ARG 30 N 0.15 0.69 0.24 0.00 0.11 -1.30 -2.60 114.38 111.67 2kma h ARG 30 Ca 0.18 -0.62 -0.34 0.00 0.10 0.00 0.00 59.98 59.31 2kma h ARG 30 Cb 0.52 0.14 0.03 0.00 1.11 0.00 0.00 29.97 31.78 2kma h ARG 30 CO -0.02 1.22 -1.50 0.52 0.10 0.00 0.00 179.97 180.28 2kma h MET 31 N 0.45 0.51 -0.48 0.08 2.86 -1.02 -3.15 114.93 114.18 2kma h MET 31 Ca -0.07 -0.88 -0.05 0.00 -2.06 0.00 0.00 59.70 56.65 2kma h MET 31 Cb 1.48 0.33 -0.02 0.00 0.06 0.00 0.00 31.60 33.44 2kma h MET 31 CO 0.17 1.42 0.12 0.97 1.06 0.00 0.00 176.91 180.64 2kma h ILE 32 N 0.14 1.24 0.00 -1.22 -0.00 -0.80 -1.16 117.51 115.70 2kma h ILE 32 Ca -0.26 -0.83 -0.01 0.00 -0.00 0.00 0.00 64.86 63.76 2kma h ILE 32 Cb 2.16 0.86 -0.00 0.00 -0.00 0.00 0.00 36.82 39.83 2kma h ILE 32 CO 0.26 0.30 -0.06 0.08 -0.00 0.00 0.00 178.15 178.73 2kma h ARG 33 N 0.65 0.00 0.56 2.19 0.11 -1.59 -2.50 114.38 113.80 2kma h ARG 33 Ca 0.15 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.20 2kma h ARG 33 Cb 0.32 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.41 2kma h ARG 33 CO 0.00 0.06 -0.27 1.49 0.10 0.00 0.00 179.97 181.36 2kma h GLU 34 N 0.00 -0.73 0.00 0.08 4.81 -1.16 -3.35 114.58 114.23 2kma h GLU 34 Ca -0.00 0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 2kma h GLU 34 Cb 0.15 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2kma h GLU 34 CO 0.01 -0.49 -1.07 0.07 -0.73 0.00 0.00 179.01 176.81 2kma h ARG 35 N -1.19 0.00 -4.50 1.92 -0.00 -1.57 -3.43 114.38 105.60 2kma h ARG 35 Ca -0.08 0.00 -0.72 0.00 -0.00 0.00 0.00 59.98 59.18 2kma h ARG 35 Cb 0.58 0.00 -0.23 0.00 -0.00 0.00 0.00 29.97 30.32 2kma h ARG 35 CO 0.13 0.79 -0.44 0.42 -0.00 0.00 0.00 179.97 180.86 2kma s ILE 36 N -2.74 4.97 0.20 0.08 1.01 -0.94 -4.93 121.20 118.84 2kma s ILE 36 Ca 0.00 -0.84 0.28 0.00 0.00 0.00 0.00 60.65 60.09 2kma s ILE 36 Cb 0.09 -3.82 0.29 0.00 0.01 0.00 0.00 42.46 39.04 2kma s ILE 36 CO 0.81 -0.34 1.93 -0.65 0.00 0.00 0.00 174.94 176.69 2kma h PRO 37 N 8.57 0.00 0.00 2.79 0.11 -1.85 -2.62 132.00 139.01 2kma h PRO 37 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2kma h PRO 37 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kma h PRO 37 CO 0.73 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 2kma n GLU 38 N -3.36 0.04 -0.03 1.05 -0.58 -1.26 -3.48 120.64 113.01 2kma n GLU 38 Ca -0.00 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 2kma n GLU 38 Cb 0.35 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.63 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kma h ALA 39 N 2.82 0.08 -1.35 0.62 0.00 -1.79 -3.35 119.26 116.29 2kma h ALA 39 Ca 0.00 -0.31 -0.77 0.00 0.00 0.00 0.00 54.91 53.83 2kma h ALA 39 Cb 0.38 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.95 2kma h ALA 39 CO 0.00 -0.08 1.53 1.47 0.00 0.00 0.00 179.25 182.17 2kma n LEU 40 N -4.70 6.41 0.29 0.00 -0.00 -1.23 -4.67 117.00 113.10 2kma n LEU 40 Ca -0.08 -4.81 0.16 0.00 -0.00 0.00 0.00 56.01 51.27 2kma n LEU 40 Cb 0.33 -1.43 0.86 0.00 -0.00 0.00 0.00 43.42 43.18 2kma n LEU 40 CO 0.36 1.41 1.05 0.00 -0.00 0.00 0.00 177.39 180.21 2kma h ALA 41 N 5.82 1.24 -3.00 1.47 0.00 -1.80 -3.44 119.26 119.55 2kma h ALA 41 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kma h ALA 41 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kma h ALA 41 CO 1.48 0.08 0.00 0.41 0.00 0.00 0.00 179.25 181.21 2kma n GLY 42 N -0.81 5.54 3.71 0.00 0.00 -1.26 -5.12 105.19 107.25 2kma n GLY 42 Ca -0.02 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 3.92 4.50 0.60 1.61 0.02 -1.26 -4.93 135.00 139.45 2kma s PRO 43 Ca 0.00 1.61 0.29 0.00 0.02 0.00 0.00 61.00 62.92 2kma s PRO 43 Cb 0.00 -3.39 1.60 0.00 0.02 0.00 0.00 34.50 32.73 2kma s PRO 43 CO 0.00 -0.15 2.02 -1.00 -0.33 0.00 0.00 177.00 177.54 2kma h PRO 44 N 6.71 0.00 0.00 5.54 0.13 -1.94 0.21 132.00 142.65 2kma h PRO 44 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kma h PRO 44 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kma h PRO 44 CO 0.78 0.00 -0.01 -2.95 -0.23 0.00 0.00 178.00 175.59 2kma h ASN 45 N 0.00 0.00 -0.31 1.44 7.08 -2.01 -2.08 115.58 119.71 2kma h ASN 45 Ca 0.12 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.34 2kma h ASN 45 Cb 0.74 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.98 2kma h ASN 45 CO -0.00 0.01 0.00 0.47 -2.08 0.00 0.00 177.43 175.83 2kma n ASP 46 N -3.12 2.40 -4.44 6.14 8.00 0.06 -4.90 116.55 120.69 2kma n ASP 46 Ca -0.00 -1.87 -0.32 0.00 0.71 0.00 0.00 54.79 53.31 2kma n ASP 46 Cb 0.26 -0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 41.02 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kma s PHE 47 N -1.60 2.60 0.11 1.24 0.08 -0.78 0.42 117.98 120.05 2kma s PHE 47 Ca 0.34 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.18 2kma s PHE 47 Cb 0.19 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 2kma s PHE 47 CO 0.26 0.15 0.09 0.41 -0.10 0.00 0.00 175.22 176.04 2kma n GLY 48 N 2.21 3.66 3.39 4.36 0.00 -0.07 -4.67 105.19 114.06 2kma n GLY 48 Ca -0.17 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 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 4.42 -0.19 0.99 1.43 -1.26 -2.50 118.68 121.58 2kma s LEU 49 Ca 0.13 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.31 2kma s LEU 49 Cb 0.01 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2kma s LEU 49 CO 0.09 -0.30 0.09 0.12 0.23 0.00 0.00 176.35 176.58 2kma s PHE 50 N 1.56 3.33 -0.40 0.29 5.36 0.13 0.41 117.98 128.66 2kma s PHE 50 Ca 0.03 0.20 -0.19 0.00 -0.96 0.00 0.00 56.93 56.01 2kma s PHE 50 Cb -0.18 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 40.41 2kma s PHE 50 CO 0.06 0.24 0.56 -1.17 -1.46 0.00 0.00 175.22 173.46 2kma s LEU 51 N 0.28 4.50 0.09 6.12 1.98 0.19 0.02 118.68 131.87 2kma s LEU 51 Ca 0.06 -0.27 -0.28 0.00 -2.89 0.00 0.00 54.13 50.75 2kma s LEU 51 Cb -0.12 -2.62 -0.06 0.00 0.66 0.00 0.00 46.19 44.05 2kma s LEU 51 CO -0.01 -0.64 0.87 -0.94 -1.89 0.00 0.00 176.35 173.74 2kma s SER 52 N 1.88 7.38 0.00 3.68 1.04 -1.22 -3.18 113.70 123.28 2kma s SER 52 Ca 0.20 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2kma s SER 52 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2kma s SER 52 CO 0.16 -0.00 0.00 -0.67 0.98 0.00 0.00 173.24 173.71 2kma n ASP 53 N 2.65 0.00 0.00 7.02 2.03 -1.26 -4.75 116.55 122.23 2kma n ASP 53 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kma n ASP 53 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2kma n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kma n ASP 54 N -1.76 0.00 -4.81 1.67 2.03 -1.26 -5.09 116.55 107.34 2kma n ASP 54 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2kma n ASP 54 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2kma n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kma s ASP 55 N 0.00 6.62 0.57 1.67 -1.08 -1.26 -4.98 116.67 118.21 2kma s ASP 55 Ca 0.00 0.73 0.29 0.00 -0.52 0.00 0.00 52.55 53.05 2kma s ASP 55 Cb 0.00 -2.20 1.48 0.00 -1.46 0.00 0.00 42.92 40.74 2kma s ASP 55 CO 0.00 0.26 1.92 1.55 0.52 0.00 0.00 175.17 179.42 2kma h PRO 56 N 5.45 0.00 0.00 4.34 0.13 -1.93 0.23 132.00 140.21 2kma h PRO 56 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2kma h PRO 56 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kma h PRO 56 CO 0.66 0.00 -0.45 0.87 -0.23 0.00 0.00 178.00 178.85 2kma h LYS 57 N 0.00 0.00 0.00 0.86 1.79 -1.94 -3.21 116.57 114.07 2kma h LYS 57 Ca 0.25 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.51 2kma h LYS 57 Cb 1.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2kma h LYS 57 CO -0.00 0.23 -1.49 1.63 -1.08 0.00 0.00 179.45 178.73 2kma n LYS 58 N -3.08 0.62 -1.79 3.15 4.01 -0.05 -4.90 118.16 116.12 2kma n LYS 58 Ca 0.01 0.25 -0.41 0.00 -0.51 0.00 0.00 58.31 57.65 2kma n LYS 58 Cb 0.64 -1.81 -0.01 0.00 -0.51 0.00 0.00 35.03 33.35 2kma n LYS 58 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2kma s GLY 59 N -4.89 2.41 0.04 0.72 0.00 -0.50 -4.84 107.32 100.26 2kma s GLY 59 Ca -0.03 1.57 0.01 0.00 0.00 0.00 0.00 44.72 46.26 2kma s GLY 59 CO 0.81 2.44 -0.05 -0.26 0.00 0.00 0.00 173.10 176.04 2kma s ILE 60 N -0.40 0.34 -0.26 0.90 -4.36 -1.19 -4.99 121.20 111.24 2kma s ILE 60 Ca 0.59 -1.10 -0.10 0.00 -0.26 0.00 0.00 60.65 59.78 2kma s ILE 60 Cb -0.47 -0.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.61 2kma s ILE 60 CO 0.53 -0.50 0.16 0.26 0.24 0.00 0.00 174.94 175.63 2kma s TRP 61 N -1.71 3.23 -0.44 1.37 0.52 -1.26 -0.64 118.94 120.01 2kma s TRP 61 Ca -0.10 0.09 -0.29 0.00 0.02 0.00 0.00 56.10 55.82 2kma s TRP 61 Cb -0.08 -2.32 0.03 0.00 -1.15 0.00 0.00 33.47 29.94 2kma s TRP 61 CO -0.01 -0.11 1.15 -0.51 0.02 0.00 0.00 176.95 177.49 2kma s LEU 62 N 1.50 3.68 0.59 2.99 1.43 0.17 -4.98 118.68 124.05 2kma s LEU 62 Ca 0.07 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 2kma s LEU 62 Cb -0.15 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2kma s LEU 62 CO 0.08 -1.20 0.99 -1.83 0.23 0.00 0.00 176.35 174.62 2kma s GLU 63 N 4.36 3.64 0.04 1.70 -1.05 -1.26 -4.24 118.70 121.88 2kma s GLU 63 Ca 0.49 0.71 0.20 0.00 -0.15 0.00 0.00 54.97 56.22 2kma s GLU 63 Cb -0.09 -2.13 0.85 0.00 -0.44 0.00 0.00 34.13 32.33 2kma s GLU 63 CO 0.29 -0.48 1.64 0.00 0.95 0.00 0.00 175.26 177.66 2kma n ALA 64 N -2.52 1.89 1.08 -0.84 0.00 -1.26 -2.83 120.51 116.03 2kma n ALA 64 Ca 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2kma n ALA 64 Cb 0.54 -1.33 0.63 0.00 0.00 0.00 0.00 19.45 19.29 2kma n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 65 N 0.51 -1.37 3.29 0.00 0.00 -1.26 -4.52 105.19 101.85 2kma n GLY 65 Ca 0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.86 1.18 0.47 1.61 0.00 -1.13 -5.09 119.74 113.92 2kma s LYS 66 Ca 0.18 -1.47 -0.06 0.00 0.00 0.00 0.00 55.97 54.62 2kma s LYS 66 Cb 0.18 -0.91 -0.04 0.00 0.00 0.00 0.00 37.83 37.06 2kma s LYS 66 CO 0.48 0.15 0.78 0.00 0.00 0.00 0.00 175.35 176.76 2kma s ALA 67 N -2.91 3.39 0.01 0.59 0.00 -1.26 -3.27 121.76 118.31 2kma s ALA 67 Ca 0.18 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2kma s ALA 67 Cb -0.01 -2.61 -0.16 0.00 0.00 0.00 0.00 23.12 20.35 2kma s ALA 67 CO 0.04 -0.30 1.23 -0.07 0.00 0.00 0.00 175.76 176.65 2kma h LEU 68 N 0.37 -0.47 -1.44 0.00 3.38 -1.49 -3.11 115.31 112.56 2kma h LEU 68 Ca -0.47 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kma h LEU 68 Cb 1.20 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2kma h LEU 68 CO 0.62 -0.11 0.00 -0.78 0.09 0.00 0.00 178.44 178.26 2kma h ASP 69 N -0.87 0.00 -0.34 -0.43 3.58 -1.79 0.16 116.42 116.73 2kma h ASP 69 Ca -0.06 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.42 2kma h ASP 69 Cb 0.55 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2kma h ASP 69 CO 0.09 0.00 0.23 0.22 -2.88 0.00 0.00 179.24 176.90 2kma h TYR 70 N 0.00 0.33 -1.51 0.28 3.20 -1.76 -3.43 116.97 114.08 2kma h TYR 70 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kma h TYR 70 Cb 0.16 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kma h TYR 70 CO 0.00 0.20 0.00 0.66 -1.64 0.00 0.00 178.16 177.38 2kma n TYR 71 N -4.49 -2.12 -1.13 -3.82 4.01 0.58 -4.97 117.16 105.22 2kma n TYR 71 Ca 0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 2kma n TYR 71 Cb 0.16 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.54 2.43 -4.22 -0.72 2.81 -1.26 -4.95 117.12 110.66 2kma n MET 72 Ca 0.00 -2.92 -0.29 0.00 -1.81 0.00 0.00 57.70 52.68 2kma n MET 72 Cb 0.00 -2.15 -0.09 0.00 -0.71 0.00 0.00 33.22 30.27 2kma n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kma s LEU 73 N -3.15 3.10 0.00 4.03 0.05 -1.26 -5.08 118.68 116.38 2kma s LEU 73 Ca 0.55 -0.40 0.00 0.00 0.05 0.00 0.00 54.13 54.33 2kma s LEU 73 Cb 0.46 -1.85 0.00 0.00 -2.05 0.00 0.00 46.19 42.75 2kma s LEU 73 CO 0.11 0.15 0.00 -2.11 -0.55 0.00 0.00 176.35 173.95 2kma n ARG 74 N 0.46 0.00 -1.72 1.48 0.00 -1.26 -4.62 116.66 111.00 2kma n ARG 74 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.32 2kma n ARG 74 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.96 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2kma s ASN 75 N 1.66 5.20 0.00 2.89 0.01 -1.26 -2.36 114.94 121.08 2kma s ASN 75 Ca 0.00 1.35 0.00 0.00 -0.71 0.00 0.00 52.86 53.50 2kma s ASN 75 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2kma s ASN 75 CO 0.00 -2.24 0.00 0.61 -1.51 0.00 0.00 177.10 173.96 2kma n GLY 76 N 5.76 1.65 3.80 0.66 0.00 -0.09 -4.89 105.19 112.08 2kma n GLY 76 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.09 6.72 -0.13 1.61 1.01 -1.00 -4.81 116.67 118.99 2kma s ASP 77 Ca 0.00 1.89 -0.16 0.00 0.71 0.00 0.00 52.55 54.98 2kma s ASP 77 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2kma s ASP 77 CO 0.00 -0.52 0.40 -0.89 0.21 0.00 0.00 175.17 174.38 2kma s THR 78 N -1.91 5.23 -0.21 -1.27 2.01 -1.26 -1.54 115.64 116.68 2kma s THR 78 Ca 0.61 0.79 0.01 0.00 0.31 0.00 0.00 61.69 63.42 2kma s THR 78 Cb -0.16 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.66 2kma s THR 78 CO 0.21 0.36 -0.08 -0.32 -0.69 0.00 0.00 174.62 174.10 2kma s MET 79 N 0.47 1.80 -0.11 4.92 1.75 0.14 -3.42 119.30 124.86 2kma s MET 79 Ca 0.22 -0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 53.48 2kma s MET 79 Cb -0.14 -2.46 -0.02 0.00 2.84 0.00 0.00 34.83 35.05 2kma s MET 79 CO 0.08 -0.50 1.07 -2.00 -0.65 0.00 0.00 175.02 173.02 2kma s GLU 80 N 1.41 4.38 -0.49 4.11 2.12 0.10 -2.51 118.70 127.82 2kma s GLU 80 Ca -0.03 1.48 -0.16 0.00 0.36 0.00 0.00 54.97 56.61 2kma s GLU 80 Cb -0.17 -3.56 0.09 0.00 0.26 0.00 0.00 34.13 30.74 2kma s GLU 80 CO -0.07 -0.39 0.45 -0.47 -0.54 0.00 0.00 175.26 174.23 2kma s TYR 81 N 2.23 3.22 0.19 5.30 5.04 0.87 -0.69 117.35 133.50 2kma s TYR 81 Ca 0.50 -0.98 0.02 0.00 -2.44 0.00 0.00 57.07 54.17 2kma s TYR 81 Cb -0.20 -3.37 -0.05 0.00 0.35 0.00 0.00 41.96 38.70 2kma s TYR 81 CO 0.18 -0.88 0.01 -0.98 -1.34 0.00 0.00 175.55 172.53 2kma s ARG 82 N 1.74 1.16 0.14 4.97 1.70 -1.04 -4.15 118.95 123.47 2kma s ARG 82 Ca 0.05 -1.57 -0.33 0.00 -0.47 0.00 0.00 55.73 53.42 2kma s ARG 82 Cb -0.25 -0.32 -0.12 0.00 -0.57 0.00 0.00 34.95 33.69 2kma s ARG 82 CO 0.06 -0.13 1.73 1.17 -1.08 0.00 0.00 175.30 177.04 2kma n LYS 83 N -0.28 2.53 -0.23 3.89 4.81 -1.26 -0.90 118.16 126.73 2kma n LYS 83 Ca -0.06 0.92 0.27 0.00 -0.87 0.00 0.00 58.31 58.57 2kma n LYS 83 Cb 0.63 -2.75 0.67 0.00 0.02 0.00 0.00 35.03 33.60 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 7.24 0.11 -6.09 1.64 1.79 -0.31 -3.40 116.57 117.55 2kma h LYS 84 Ca -0.45 -0.01 -0.59 0.00 -2.18 0.00 0.00 60.65 57.42 2kma h LYS 84 Cb 1.23 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2kma h LYS 84 CO 0.93 0.08 -0.30 -0.65 -1.08 0.00 0.00 179.45 178.43 2kma s GLN 85 N -5.11 3.67 0.16 3.15 -0.21 -1.26 0.51 119.66 120.58 2kma s GLN 85 Ca -0.06 0.03 0.11 0.00 0.02 0.00 0.00 55.36 55.46 2kma s GLN 85 Cb 0.22 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 2kma s GLN 85 CO 0.78 0.54 -0.23 -0.98 -2.12 0.00 0.00 175.29 173.29 2kma s ARG 86 N -2.16 1.58 -0.35 2.91 1.04 0.01 -4.78 118.95 117.20 2kma s ARG 86 Ca 0.35 -1.41 -0.28 0.00 -1.04 0.00 0.00 55.73 53.35 2kma s ARG 86 Cb -0.13 -1.93 -0.02 0.00 -2.04 0.00 0.00 34.95 30.83 2kma s ARG 86 CO 0.20 0.43 1.87 -2.14 -0.04 0.00 0.00 175.30 175.62 2kma s PRO 87 N -2.45 3.19 -0.31 3.89 0.02 -1.26 -2.68 135.00 135.39 2kma s PRO 87 Ca 0.19 1.41 -0.11 0.00 0.02 0.00 0.00 61.00 62.51 2kma s PRO 87 Cb -0.09 -4.25 -0.02 0.00 0.02 0.00 0.00 34.50 30.16 2kma s PRO 87 CO 0.09 -2.03 0.19 -0.51 -0.33 0.00 0.00 177.00 174.41 2kma s LEU 88 N 7.49 4.23 -0.33 -5.54 1.43 -0.30 -4.67 118.68 120.98 2kma s LEU 88 Ca 0.81 -0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 2kma s LEU 88 Cb -0.22 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 2kma s LEU 88 CO 0.32 -0.17 0.67 -0.54 0.23 0.00 0.00 176.35 176.86 2kma s LYS 89 N 1.69 3.83 -0.07 1.70 1.02 -1.26 -1.27 119.74 125.38 2kma s LYS 89 Ca 0.06 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.36 2kma s LYS 89 Cb -0.17 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 2kma s LYS 89 CO 0.09 -0.66 -0.17 0.42 -0.92 0.00 0.00 175.35 174.11 2kma s ILE 90 N 2.74 1.47 -0.24 2.17 -1.09 0.73 0.24 121.20 127.22 2kma s ILE 90 Ca 0.27 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 2kma s ILE 90 Cb -0.14 -1.29 -0.03 0.00 -1.58 0.00 0.00 42.46 39.41 2kma s ILE 90 CO 0.13 0.43 0.08 -0.60 -1.23 0.00 0.00 174.94 173.75 2kma s ARG 91 N 0.39 3.74 0.88 2.79 3.52 -0.06 -0.07 118.95 130.14 2kma s ARG 91 Ca -0.12 -0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 54.92 2kma s ARG 91 Cb -0.15 -3.32 0.16 0.00 -1.56 0.00 0.00 34.95 30.08 2kma s ARG 91 CO 0.05 -0.09 1.22 -1.64 -0.81 0.00 0.00 175.30 174.03 2kma s MET 92 N 1.36 1.10 0.17 5.12 -1.94 0.29 -0.79 119.30 124.61 2kma s MET 92 Ca 0.05 -0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 53.42 2kma s MET 92 Cb -0.15 -1.97 0.13 0.00 2.01 0.00 0.00 34.83 34.85 2kma s MET 92 CO 0.04 -2.05 1.73 -0.07 -0.01 0.00 0.00 175.02 174.66 2kma h LEU 93 N -1.29 0.07 -1.09 -0.03 -0.00 -1.86 0.30 115.31 111.41 2kma h LEU 93 Ca -0.43 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2kma h LEU 93 Cb 1.26 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2kma h LEU 93 CO 0.43 0.07 0.00 -0.78 -0.00 0.00 0.00 178.44 178.16 2kma h ASP 94 N 0.26 0.00 0.00 -0.43 1.82 -1.95 -3.44 116.42 112.67 2kma h ASP 94 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2kma h ASP 94 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2kma h ASP 94 CO -0.25 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.99 2kma n GLY 95 N -0.51 1.12 3.69 -0.78 0.00 0.10 -5.08 105.19 103.74 2kma n GLY 95 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2kma n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kma s THR 96 N -2.00 5.12 -0.10 2.61 2.01 -1.22 -4.74 115.64 117.32 2kma s THR 96 Ca 0.00 1.05 -0.04 0.00 0.31 0.00 0.00 61.69 63.01 2kma s THR 96 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kma s THR 96 CO 0.00 0.24 0.05 0.54 -0.69 0.00 0.00 174.62 174.76 2kma s VAL 97 N 1.13 4.75 0.05 3.82 0.11 -1.26 0.11 120.40 129.11 2kma s VAL 97 Ca 0.27 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2kma s VAL 97 Cb -0.16 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 2kma s VAL 97 CO 0.11 0.60 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.85 2kma s LYS 98 N -0.86 0.57 -0.27 1.54 -2.85 0.90 -4.96 119.74 113.81 2kma s LYS 98 Ca 0.13 -1.00 -0.03 0.00 -1.00 0.00 0.00 55.97 54.07 2kma s LYS 98 Cb -0.12 -0.01 0.03 0.00 -2.06 0.00 0.00 37.83 35.68 2kma s LYS 98 CO 0.03 -0.04 -0.02 0.99 0.10 0.00 0.00 175.35 176.40 2kma s THR 99 N -2.75 3.09 0.08 3.79 2.01 -1.26 -0.19 115.64 120.40 2kma s THR 99 Ca -0.01 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.04 2kma s THR 99 Cb -0.01 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2kma s THR 99 CO -0.05 0.11 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.25 2kma s ILE 100 N 1.34 1.98 -0.42 1.82 -1.16 -0.40 -4.88 121.20 119.48 2kma s ILE 100 Ca -0.01 -1.46 -0.20 0.00 -0.51 0.00 0.00 60.65 58.47 2kma s ILE 100 Cb -0.17 -1.73 0.02 0.00 0.61 0.00 0.00 42.46 41.18 2kma s ILE 100 CO -0.03 0.19 0.63 -0.04 -2.81 0.00 0.00 174.94 172.88 2kma s MET 101 N -1.54 3.36 -0.13 3.50 -1.94 -1.26 -1.15 119.30 120.14 2kma s MET 101 Ca 0.10 -0.30 -0.00 0.00 -1.71 0.00 0.00 55.69 53.78 2kma s MET 101 Cb -0.10 -3.92 -0.01 0.00 2.01 0.00 0.00 34.83 32.81 2kma s MET 101 CO 0.03 -0.93 -0.13 0.08 -0.01 0.00 0.00 175.02 174.06 2kma s VAL 102 N 2.75 3.03 0.02 -6.03 1.01 -1.09 -4.82 120.40 115.28 2kma s VAL 102 Ca 0.22 -0.67 -0.37 0.00 0.00 0.00 0.00 61.98 61.16 2kma s VAL 102 Cb -0.14 -2.27 -0.16 0.00 0.00 0.00 0.00 36.38 33.80 2kma s VAL 102 CO 0.18 0.52 1.44 0.47 0.00 0.00 0.00 175.10 177.71 2kma n ASP 103 N 3.55 1.91 0.14 3.32 9.92 -1.26 -0.81 116.55 133.31 2kma n ASP 103 Ca -0.18 1.11 0.13 0.00 -0.53 0.00 0.00 54.79 55.31 2kma n ASP 103 Cb 0.53 -1.20 0.35 0.00 -0.64 0.00 0.00 41.12 40.16 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 5.22 0.00 -0.15 -2.24 3.58 -0.26 -3.37 116.42 119.19 2kma h ASP 104 Ca -0.47 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.28 2kma h ASP 104 Cb 1.33 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.36 2kma h ASP 104 CO 0.82 0.00 3.37 -1.54 -2.88 0.00 0.00 179.24 179.01 2kma n SER 105 N -2.50 6.52 -3.65 2.28 3.41 -1.26 -4.80 113.62 113.61 2kma n SER 105 Ca 0.05 -2.75 0.01 0.00 -0.26 0.00 0.00 58.87 55.92 2kma n SER 105 Cb 0.45 -1.58 -0.00 0.00 -0.26 0.00 0.00 64.21 62.81 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kma s LYS 106 N 2.27 0.60 0.14 4.33 0.00 -1.26 -5.14 119.74 120.68 2kma s LYS 106 Ca 0.58 -0.35 0.02 0.00 0.00 0.00 0.00 55.97 56.22 2kma s LYS 106 Cb 0.16 0.19 0.02 0.00 0.00 0.00 0.00 37.83 38.21 2kma s LYS 106 CO -0.07 -0.28 0.19 0.25 0.00 0.00 0.00 175.35 175.45 2kma n THR 107 N -0.58 0.00 0.30 3.79 -2.24 -1.26 -4.44 114.28 109.84 2kma n THR 107 Ca -0.06 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 2kma n THR 107 Cb 0.61 -0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.44 -0.89 2.28 2.07 -1.86 -2.22 116.25 116.00 2kma h VAL 108 Ca -0.06 -0.14 0.20 0.00 0.82 0.00 0.00 66.70 67.52 2kma h VAL 108 Cb 0.29 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 2kma h VAL 108 CO 0.09 0.02 0.42 0.74 0.02 0.00 0.00 177.57 178.86 2kma h THR 109 N -0.83 0.54 -0.25 2.57 2.02 -1.94 0.48 112.91 115.51 2kma h THR 109 Ca -0.08 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.77 2kma h THR 109 Cb 0.60 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2kma h THR 109 CO 0.12 0.08 -0.54 -0.78 0.37 0.00 0.00 175.52 174.78 2kma h ASP 110 N 0.46 0.82 -0.28 4.18 3.58 -1.93 0.36 116.42 123.61 2kma h ASP 110 Ca 0.54 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2kma h ASP 110 Cb 0.98 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2kma h ASP 110 CO -0.49 1.20 0.14 -0.03 -2.88 0.00 0.00 179.24 177.18 2kma h MET 111 N 0.57 0.40 -0.68 0.28 4.05 -0.48 -1.87 114.93 117.19 2kma h MET 111 Ca 0.01 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2kma h MET 111 Cb 1.12 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.81 2kma h MET 111 CO 0.11 0.38 0.40 1.25 0.23 0.00 0.00 176.91 179.28 2kma h LEU 112 N 0.32 0.83 -0.60 3.39 5.85 0.10 0.22 115.31 125.42 2kma h LEU 112 Ca 0.10 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.84 2kma h LEU 112 Cb 0.11 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2kma h LEU 112 CO -0.01 0.66 0.21 -0.03 -0.34 0.00 0.00 178.44 178.93 2kma h MET 113 N 0.93 0.37 -0.29 1.25 4.05 -0.74 0.47 114.93 120.97 2kma h MET 113 Ca 0.24 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 2kma h MET 113 Cb -0.00 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2kma h MET 113 CO -0.04 0.25 -0.04 1.15 0.23 0.00 0.00 176.91 178.46 2kma h THR 114 N 0.38 1.27 -0.09 -0.77 2.02 -0.54 -2.65 112.91 112.53 2kma h THR 114 Ca 0.31 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 2kma h THR 114 Cb 0.39 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2kma h THR 114 CO -0.32 0.33 -0.15 0.40 0.37 0.00 0.00 175.52 176.15 2kma h ILE 115 N 0.31 1.39 0.00 3.11 2.04 -0.47 -3.01 117.51 120.88 2kma h ILE 115 Ca 0.08 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 2kma h ILE 115 Cb 0.50 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2kma h ILE 115 CO 0.02 0.40 -0.23 0.00 0.00 0.00 0.00 178.15 178.35 2kma h ALA 117 N 1.77 1.10 -0.19 0.00 0.00 -1.37 -0.80 119.26 119.78 2kma h ALA 117 Ca -0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2kma h ALA 117 Cb 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kma h ALA 117 CO 0.03 0.38 -0.60 0.00 0.00 0.00 0.00 179.25 179.06 2kma h ARG 118 N 0.00 0.63 -0.17 0.00 2.47 -1.11 -3.19 114.38 113.01 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 0.74 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.13 2kma h ARG 118 CO 0.04 1.04 -0.75 0.82 0.56 0.00 0.00 179.97 181.68 2kma h ILE 119 N 0.47 1.28 0.00 2.04 1.08 -1.40 -3.48 117.51 117.50 2kma h ILE 119 Ca -0.00 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.52 2kma h ILE 119 Cb 1.17 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.85 2kma h ILE 119 CO 0.12 0.62 0.00 0.61 -0.69 0.00 0.00 178.15 178.81 2kma n GLY 120 N 0.65 0.99 3.62 5.37 0.00 -0.70 -5.14 105.19 109.99 2kma n GLY 120 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.83 4.20 -0.07 -0.61 1.01 -0.39 -5.03 121.20 118.49 2kma s ILE 121 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 2kma s ILE 121 Cb 0.00 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2kma s ILE 121 CO 0.00 0.56 -0.03 0.74 0.00 0.00 0.00 174.94 176.21 2kma h THR 122 N 4.49 0.00 -3.08 2.92 2.02 -1.98 -3.39 112.91 113.89 2kma h THR 122 Ca -0.44 -0.65 -0.67 0.00 0.77 0.00 0.00 66.41 65.42 2kma h THR 122 Cb 1.19 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.43 2kma h THR 122 CO 0.58 0.00 0.20 0.54 0.37 0.00 0.00 175.52 177.21 2kma s ASN 123 N -4.74 6.22 0.04 4.18 4.22 -1.26 -4.88 114.94 118.73 2kma s ASN 123 Ca -0.03 -0.97 0.20 0.00 -2.14 0.00 0.00 52.86 49.92 2kma s ASN 123 Cb 0.00 -2.33 -0.17 0.00 1.28 0.00 0.00 41.25 40.03 2kma s ASN 123 CO 0.04 -1.06 0.69 0.00 -2.04 0.00 0.00 177.10 174.73 2kma n HIS 124 N 6.59 0.60 1.37 1.54 1.44 -1.26 -4.09 115.22 121.40 2kma n HIS 124 Ca -0.06 0.19 0.08 0.00 -2.01 0.00 0.00 57.72 55.92 2kma n HIS 124 Cb 0.45 -0.89 0.47 0.00 0.12 0.00 0.00 29.99 30.14 2kma n HIS 124 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kma n ASP 125 N -2.65 0.00 -0.01 4.39 2.03 -1.26 -1.80 116.55 117.25 2kma n ASP 125 Ca -0.09 -0.88 0.15 0.00 0.52 0.00 0.00 54.79 54.50 2kma n ASP 125 Cb 0.74 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.92 2kma n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kma n GLU 126 N -0.86 0.55 -4.29 -0.67 -0.58 -1.26 -4.81 120.64 108.72 2kma n GLU 126 Ca 0.12 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.59 2kma n GLU 126 Cb 0.05 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.34 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 -2.46 2.67 0.54 -0.32 2.02 -0.74 -0.70 117.35 118.35 2kma s TYR 127 Ca 0.32 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 2kma s TYR 127 Cb 0.21 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 2kma s TYR 127 CO 0.45 0.56 0.26 -1.12 -1.57 0.00 0.00 175.55 174.13 2kma s SER 128 N -3.19 4.45 0.01 2.29 0.01 0.22 -4.79 113.70 112.71 2kma s SER 128 Ca 0.28 -1.42 0.08 0.00 1.31 0.00 0.00 55.95 56.20 2kma s SER 128 Cb -0.08 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 2kma s SER 128 CO 0.17 -1.05 -0.25 -0.22 0.41 0.00 0.00 173.24 172.30 2kma s LEU 129 N -4.15 2.11 -0.11 2.44 1.98 -1.24 -2.95 118.68 116.76 2kma s LEU 129 Ca 0.22 -0.52 -0.02 0.00 -2.89 0.00 0.00 54.13 50.92 2kma s LEU 129 Cb -0.01 -1.27 0.04 0.00 0.66 0.00 0.00 46.19 45.61 2kma s LEU 129 CO 0.14 0.28 0.03 0.54 -1.89 0.00 0.00 176.35 175.44 2kma s VAL 130 N -0.70 0.32 -0.47 1.68 0.11 -0.97 0.14 120.40 120.50 2kma s VAL 130 Ca 0.10 -0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 2kma s VAL 130 Cb -0.10 -0.64 0.09 0.00 -1.53 0.00 0.00 36.38 34.21 2kma s VAL 130 CO 0.01 0.06 0.37 -0.13 -3.33 0.00 0.00 175.10 172.08 2kma s ARG 131 N 1.98 2.81 -0.33 1.54 0.52 0.14 -0.16 118.95 125.45 2kma s ARG 131 Ca 0.03 -1.51 -0.29 0.00 -0.52 0.00 0.00 55.73 53.44 2kma s ARG 131 Cb -0.14 -4.04 0.01 0.00 0.52 0.00 0.00 34.95 31.30 2kma s ARG 131 CO -0.06 -1.09 1.25 -1.21 0.02 0.00 0.00 175.30 174.21 2kma s GLU 132 N 1.53 3.90 0.23 3.54 2.02 -0.98 -3.36 118.70 125.58 2kma s GLU 132 Ca 0.04 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.18 2kma s GLU 132 Cb -0.25 -3.87 0.03 0.00 0.10 0.00 0.00 34.13 30.14 2kma s GLU 132 CO 0.04 -1.14 0.25 1.28 0.02 0.00 0.00 175.26 175.71 2kma n LEU 133 N 7.59 0.00 -0.24 1.80 4.77 -1.23 -3.55 117.00 126.14 2kma n LEU 133 Ca 0.14 -1.10 0.02 0.00 -0.03 0.00 0.00 56.01 55.04 2kma n LEU 133 Cb 0.47 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2kma n LEU 133 CO 0.64 -0.49 0.50 1.15 -1.33 0.00 0.00 177.39 177.86 2kma n MET 134 N -1.27 2.16 -1.65 3.23 0.00 -1.26 -4.85 117.12 113.49 2kma n MET 134 Ca 0.03 -1.50 -0.46 0.00 0.00 0.00 0.00 57.70 55.77 2kma n MET 134 Cb 0.25 -1.10 -0.03 0.00 0.00 0.00 0.00 33.22 32.33 2kma n MET 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2kma n GLU 135 N -0.01 1.81 0.18 3.17 1.02 -1.26 -4.88 120.64 120.68 2kma n GLU 135 Ca 0.04 0.65 0.12 0.00 -0.02 0.00 0.00 57.16 57.95 2kma n GLU 135 Cb 0.27 -2.29 0.23 0.00 -0.02 0.00 0.00 31.44 29.63 2kma n GLU 135 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2kma h GLU 136 N 4.32 0.00 0.00 3.49 4.11 -1.99 -3.21 114.58 121.29 2kma h GLU 136 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kma h GLU 136 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kma h GLU 136 CO 0.77 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.48 2kma n LYS 137 N -2.84 0.00 -0.05 1.06 5.02 -1.26 -4.74 118.16 115.35 2kma n LYS 137 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 2kma n LYS 137 Cb 0.50 -0.62 -0.00 0.00 -0.02 0.00 0.00 35.03 34.88 2kma n LYS 137 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kma h LYS 138 N 0.00 0.00 -4.89 1.97 1.57 -1.98 -3.50 116.57 109.74 2kma h LYS 138 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kma h LYS 138 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kma h LYS 138 CO 0.00 0.00 -0.58 -3.47 -0.57 0.00 0.00 179.45 174.83 2kma n ASP 169 N -4.73 -7.10 -4.02 0.86 2.03 -1.21 -5.04 116.55 97.35 2kma n ASP 169 Ca -0.02 0.75 -0.09 0.00 0.52 0.00 0.00 54.79 55.95 2kma n ASP 169 Cb 0.06 -4.73 -0.08 0.00 -0.72 0.00 0.00 41.12 35.65 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 -2.00 0.96 0.41 -0.67 -6.30 -1.26 -5.02 118.70 104.82 2kma s GLU 170 Ca 0.13 -1.22 0.25 0.00 -2.50 0.00 0.00 54.97 51.63 2kma s GLU 170 Cb -0.04 0.31 0.56 0.00 0.00 0.00 0.00 34.13 34.97 2kma s GLU 170 CO 0.66 -0.31 1.69 -0.07 0.02 0.00 0.00 175.26 177.25 2kma h LEU 171 N 2.75 0.00 -3.12 2.70 3.38 -1.97 -3.25 115.31 115.80 2kma h LEU 171 Ca -0.33 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 2kma h LEU 171 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2kma h LEU 171 CO 0.55 0.00 -0.78 0.59 0.09 0.00 0.00 178.44 178.89 2kma n ASN 172 N -2.94 -6.27 -4.46 -0.43 3.02 -1.21 0.27 115.26 103.23 2kma n ASN 172 Ca 0.04 -0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 2kma n ASN 172 Cb 0.48 -3.17 -0.03 0.00 -0.61 0.00 0.00 39.78 36.45 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 -2.48 3.01 0.11 3.10 0.52 -1.26 0.11 118.94 122.05 2kma s TRP 173 Ca 0.16 -1.25 -0.32 0.00 0.02 0.00 0.00 56.10 54.71 2kma s TRP 173 Cb -0.03 -4.33 -0.11 0.00 -1.15 0.00 0.00 33.47 27.85 2kma s TRP 173 CO 0.84 -1.55 1.81 1.28 0.02 0.00 0.00 176.95 179.34 2kma n LEU 174 N 6.92 3.88 -0.27 2.99 4.77 0.36 -4.86 117.00 130.79 2kma n LEU 174 Ca 0.22 1.00 0.15 0.00 -0.03 0.00 0.00 56.01 57.35 2kma n LEU 174 Cb 0.49 -1.52 0.69 0.00 -2.33 0.00 0.00 43.42 40.75 2kma n LEU 174 CO 0.53 0.10 0.96 -0.90 -1.33 0.00 0.00 177.39 176.76 2kma n ASP 175 N 5.36 0.85 -0.74 -1.43 5.75 -1.26 -3.63 116.55 121.46 2kma n ASP 175 Ca 0.18 -1.24 -0.06 0.00 -0.01 0.00 0.00 54.79 53.66 2kma n ASP 175 Cb 0.35 -0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kma n HIS 176 N -0.36 -0.31 -1.14 2.11 8.25 -1.26 -4.88 115.22 117.62 2kma n HIS 176 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2kma n HIS 176 Cb 0.26 -1.91 0.00 0.00 1.12 0.00 0.00 29.99 29.45 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 -1.01 0.50 3.34 -1.41 0.00 -1.26 -4.62 105.19 100.73 2kma n GLY 177 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.39 0.55 1.61 6.06 -1.26 -4.99 118.95 124.32 2kma s ARG 178 Ca 0.00 -0.64 -0.19 0.00 -2.50 0.00 0.00 55.73 52.40 2kma s ARG 178 Cb 0.00 -2.86 -0.05 0.00 0.06 0.00 0.00 34.95 32.10 2kma s ARG 178 CO 0.00 -0.02 1.10 -0.08 -2.50 0.00 0.00 175.30 173.80 2kma s THR 179 N 0.99 3.37 0.17 4.11 -1.32 -1.26 -3.85 115.64 117.85 2kma s THR 179 Ca -0.01 0.80 0.06 0.00 -1.21 0.00 0.00 61.69 61.33 2kma s THR 179 Cb -0.15 -3.30 -0.14 0.00 -1.51 0.00 0.00 72.50 67.40 2kma s THR 179 CO -0.00 -0.24 1.40 -0.07 -2.21 0.00 0.00 174.62 173.50 2kma h LEU 180 N 1.02 0.10 0.00 9.08 3.38 -1.89 -2.46 115.31 124.54 2kma h LEU 180 Ca -0.49 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kma h LEU 180 Cb 1.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kma h LEU 180 CO 0.57 0.91 0.00 0.54 0.09 0.00 0.00 178.44 180.55 2kma n ARG 181 N -3.58 0.23 0.05 1.13 1.74 -1.26 -1.80 116.66 113.16 2kma n ARG 181 Ca -0.02 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.22 2kma n ARG 181 Cb 0.81 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.87 2kma n ARG 181 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kma n GLU 182 N -1.37 0.28 0.00 5.56 4.07 -0.94 -3.83 120.64 124.40 2kma n GLU 182 Ca 0.10 0.05 -0.06 0.00 -0.06 0.00 0.00 57.16 57.19 2kma n GLU 182 Cb 0.25 -1.64 -0.12 0.00 -0.06 0.00 0.00 31.44 29.87 2kma n GLU 182 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2kma h GLN 183 N 0.00 0.00 0.00 5.31 4.20 -1.27 -3.48 115.11 119.87 2kma h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kma h GLN 183 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2kma h GLN 183 CO 0.00 0.48 0.00 0.41 -0.67 0.00 0.00 178.83 179.05 2kma n GLY 184 N 1.50 0.75 3.77 3.46 0.00 -0.99 -5.02 105.19 108.65 2kma n GLY 184 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.66 2.36 0.43 1.61 -7.23 -1.23 -4.98 120.40 108.70 2kma s VAL 185 Ca 0.00 0.33 -0.03 0.00 -1.81 0.00 0.00 61.98 60.46 2kma s VAL 185 Cb 0.00 -3.19 0.09 0.00 0.56 0.00 0.00 36.38 33.84 2kma s VAL 185 CO 0.00 0.05 0.58 1.21 -0.31 0.00 0.00 175.10 176.63 2kma n GLU 186 N -0.03 -0.10 -0.04 4.82 0.00 -1.26 -4.88 120.64 119.15 2kma n GLU 186 Ca 0.04 -1.28 -0.08 0.00 0.00 0.00 0.00 57.16 55.84 2kma n GLU 186 Cb 0.43 -0.48 -0.14 0.00 0.00 0.00 0.00 31.44 31.24 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 -2.14 0.65 0.02 5.31 1.02 -1.26 -4.03 120.64 120.20 2kma n GLU 187 Ca 0.09 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.52 2kma n GLU 187 Cb 0.30 -1.70 0.49 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.92 0.14 -2.13 -0.32 1.44 -1.26 -4.53 115.22 105.64 2kma n HIS 188 Ca -0.21 0.05 -0.42 0.00 -2.01 0.00 0.00 57.72 55.13 2kma n HIS 188 Cb 1.06 -0.58 -0.03 0.00 0.12 0.00 0.00 29.99 30.56 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 -3.03 4.32 -0.07 -1.40 0.41 -1.26 -4.96 118.70 112.72 2kma s GLU 189 Ca 0.11 2.14 -0.27 0.00 -0.41 0.00 0.00 54.97 56.54 2kma s GLU 189 Cb 0.15 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.27 2kma s GLU 189 CO 0.44 -0.41 0.86 0.99 -0.49 0.00 0.00 175.26 176.65 2kma s THR 190 N 0.70 4.92 0.02 3.63 2.01 -1.23 -4.28 115.64 121.41 2kma s THR 190 Ca 0.63 1.78 0.05 0.00 0.31 0.00 0.00 61.69 64.46 2kma s THR 190 Cb -0.38 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 67.90 2kma s THR 190 CO 0.34 0.14 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.52 2kma s LEU 191 N 1.30 2.83 -0.10 4.42 2.01 0.14 -2.33 118.68 126.95 2kma s LEU 191 Ca 0.44 -0.30 0.01 0.00 0.01 0.00 0.00 54.13 54.29 2kma s LEU 191 Cb -0.19 -1.64 -0.02 0.00 0.01 0.00 0.00 46.19 44.35 2kma s LEU 191 CO 0.20 0.27 -0.13 -0.76 1.01 0.00 0.00 176.35 176.95 2kma s LEU 192 N -1.38 2.76 -0.19 1.79 1.43 0.77 -0.88 118.68 122.98 2kma s LEU 192 Ca 0.15 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 2kma s LEU 192 Cb -0.11 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 2kma s LEU 192 CO 0.06 0.24 0.72 -0.22 0.23 0.00 0.00 176.35 177.38 2kma s LEU 193 N -0.09 4.15 -0.05 1.79 0.20 0.02 -2.30 118.68 122.40 2kma s LEU 193 Ca -0.02 0.97 0.05 0.00 0.69 0.00 0.00 54.13 55.82 2kma s LEU 193 Cb -0.14 -3.04 -0.00 0.00 -0.43 0.00 0.00 46.19 42.58 2kma s LEU 193 CO 0.04 -0.34 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.43 2kma s ARG 194 N 2.07 2.04 -0.19 1.98 1.81 -1.15 -4.27 118.95 121.24 2kma s ARG 194 Ca 0.33 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 53.36 2kma s ARG 194 Cb -0.16 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.60 2kma s ARG 194 CO 0.11 0.27 0.99 0.50 -0.68 0.00 0.00 175.30 176.49 2kma s ARG 195 N 0.02 4.30 -0.21 3.54 3.52 -1.26 -0.61 118.95 128.26 2kma s ARG 195 Ca -0.05 1.30 -0.19 0.00 -0.13 0.00 0.00 55.73 56.67 2kma s ARG 195 Cb -0.13 -3.61 -0.16 0.00 -1.56 0.00 0.00 34.95 29.50 2kma s ARG 195 CO 0.03 -0.50 0.07 1.17 -0.81 0.00 0.00 175.30 175.26 2kma n LYS 196 N 5.82 0.55 -3.45 5.12 4.81 0.12 -4.88 118.16 126.26 2kma n LYS 196 Ca 0.10 0.52 -0.38 0.00 -0.87 0.00 0.00 58.31 57.68 2kma n LYS 196 Cb 0.47 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.38 3.74 -0.50 5.64 0.08 -0.43 -5.00 117.98 119.14 2kma s PHE 197 Ca -0.28 1.06 0.04 0.00 0.12 0.00 0.00 56.93 57.87 2kma s PHE 197 Cb 0.07 -2.34 0.41 0.00 -0.57 0.00 0.00 43.02 40.59 2kma s PHE 197 CO 0.53 0.63 1.19 1.19 -0.10 0.00 0.00 175.22 178.66 2kma n PHE 198 N 1.76 3.42 -0.32 0.36 3.72 -1.26 -4.77 117.46 120.37 2kma n PHE 198 Ca -0.13 -3.11 -0.01 0.00 -0.05 0.00 0.00 57.45 54.16 2kma n PHE 198 Cb 0.52 -0.23 0.12 0.00 -0.94 0.00 0.00 39.48 38.95 2kma n PHE 198 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2kma h TYR 199 N 2.67 1.06 -5.87 1.38 -0.00 -1.95 -3.48 116.97 110.78 2kma h TYR 199 Ca 0.32 0.03 -0.18 0.00 -0.00 0.00 0.00 58.73 58.89 2kma h TYR 199 Cb 0.79 -0.35 0.00 0.00 -0.00 0.00 0.00 36.73 37.17 2kma h TYR 199 CO 0.86 0.59 -0.48 0.43 -0.00 0.00 0.00 178.16 179.57 2kma n SER 200 N -4.55 -6.75 -1.62 0.10 7.64 -1.26 -2.58 113.62 104.61 2kma n SER 200 Ca 0.11 -0.29 -0.19 0.00 1.01 0.00 0.00 58.87 59.51 2kma n SER 200 Cb 0.11 -3.95 -0.07 0.00 -1.01 0.00 0.00 64.21 59.29 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kma n ASP 201 N -1.77 -5.39 0.00 6.43 2.03 -1.26 -5.33 116.55 111.26 2kma n ASP 201 Ca -0.09 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.61 2kma n ASP 201 Cb 0.57 -4.57 0.00 0.00 -0.72 0.00 0.00 41.12 36.40 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95