#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma n ILE -4 N 0.00 3.84 -3.52 -0.61 5.41 -1.26 -4.93 119.36 118.29 2kma n ILE -4 Ca 0.00 -3.62 -0.41 0.00 1.00 0.00 0.00 62.75 59.73 2kma n ILE -4 Cb 0.00 -2.50 -0.10 0.00 -0.71 0.00 0.00 39.64 36.33 2kma n ILE -4 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2kma s ASP -3 N 2.21 6.04 0.30 4.38 1.01 -1.26 -5.06 116.67 124.29 2kma s ASP -3 Ca 0.44 -0.55 -0.29 0.00 0.71 0.00 0.00 52.55 52.86 2kma s ASP -3 Cb 0.12 -2.13 -0.10 0.00 1.01 0.00 0.00 42.92 41.81 2kma s ASP -3 CO -0.05 -0.28 1.40 -2.84 0.21 0.00 0.00 175.17 173.60 2kma s PRO -2 N 1.70 4.28 -0.20 8.23 0.02 -1.26 -4.04 135.00 143.73 2kma s PRO -2 Ca 0.06 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.38 2kma s PRO -2 Cb -0.18 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2kma s PRO -2 CO 0.10 -0.35 0.02 1.19 -0.33 0.00 0.00 177.00 177.64 2kma n PHE -1 N 1.49 -2.56 -0.10 6.54 3.72 -1.26 -5.03 117.46 120.26 2kma n PHE -1 Ca 0.03 1.13 0.00 0.00 -0.05 0.00 0.00 57.45 58.57 2kma n PHE -1 Cb 0.41 -2.92 0.00 0.00 -0.94 0.00 0.00 39.48 36.02 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kma n THR 0 N 0.88 0.00 -0.95 4.37 -2.24 -1.26 -4.83 114.28 110.26 2kma n THR 0 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2kma n THR 0 Cb 0.20 -1.28 -0.08 0.00 -2.10 0.00 0.00 70.33 67.07 2kma n THR 0 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kma n MET 1 N -0.21 1.79 -3.14 -0.78 1.56 -1.26 -3.93 117.12 111.15 2kma n MET 1 Ca 0.00 -1.07 -0.19 0.00 -0.27 0.00 0.00 57.70 56.17 2kma n MET 1 Cb 0.00 -1.71 -0.03 0.00 2.15 0.00 0.00 33.22 33.63 2kma n MET 1 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2kma n VAL 2 N 1.63 0.26 -4.06 1.12 0.24 -1.26 -5.08 118.33 111.17 2kma n VAL 2 Ca 0.31 -4.66 -0.11 0.00 -2.04 0.00 0.00 64.34 57.84 2kma n VAL 2 Cb 0.69 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.59 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -2.58 0.52 -0.18 2.33 0.00 -1.25 -4.11 121.76 116.48 2kma s ALA 3 Ca 0.41 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 2kma s ALA 3 Cb 0.35 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2kma s ALA 3 CO -0.08 -0.12 -0.02 -0.51 0.00 0.00 0.00 175.76 175.03 2kma s LEU 4 N -1.90 3.23 -0.55 0.00 1.02 0.15 -4.77 118.68 115.86 2kma s LEU 4 Ca -0.07 -0.19 -0.19 0.00 0.02 0.00 0.00 54.13 53.71 2kma s LEU 4 Cb -0.06 -1.80 0.08 0.00 0.02 0.00 0.00 46.19 44.43 2kma s LEU 4 CO -0.02 0.10 0.67 -0.44 0.02 0.00 0.00 176.35 176.68 2kma s SER 5 N 0.79 6.20 -0.07 2.29 0.01 -1.26 -1.61 113.70 120.05 2kma s SER 5 Ca -0.00 -1.21 0.03 0.00 1.31 0.00 0.00 55.95 56.08 2kma s SER 5 Cb -0.14 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 2kma s SER 5 CO 0.02 -1.02 -0.16 -0.76 0.41 0.00 0.00 173.24 171.73 2kma s LEU 6 N 2.65 2.61 -0.51 2.44 1.43 0.61 -1.05 118.68 126.86 2kma s LEU 6 Ca 0.13 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 2kma s LEU 6 Cb -0.22 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.50 2kma s LEU 6 CO 0.09 0.29 1.03 -0.54 0.23 0.00 0.00 176.35 177.45 2kma s LYS 7 N -0.42 3.51 -0.69 1.70 1.02 -0.52 -1.28 119.74 123.06 2kma s LYS 7 Ca 0.05 0.15 -0.25 0.00 0.02 0.00 0.00 55.97 55.94 2kma s LYS 7 Cb -0.12 -3.97 0.05 0.00 -0.52 0.00 0.00 37.83 33.26 2kma s LYS 7 CO 0.02 -1.43 1.13 0.42 -0.92 0.00 0.00 175.35 174.57 2kma s ILE 8 N 4.22 4.02 -0.08 2.17 -1.09 0.32 0.51 121.20 131.27 2kma s ILE 8 Ca 0.39 0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 58.73 2kma s ILE 8 Cb -0.09 -4.79 -0.04 0.00 -1.58 0.00 0.00 42.46 35.95 2kma s ILE 8 CO 0.25 -1.62 0.56 -0.55 -1.23 0.00 0.00 174.94 172.35 2kma s SER 9 N 3.61 6.83 -0.50 3.58 0.15 -1.11 -0.18 113.70 126.08 2kma s SER 9 Ca 0.30 0.99 0.03 0.00 0.70 0.00 0.00 55.95 57.97 2kma s SER 9 Cb -0.12 -2.33 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 2kma s SER 9 CO 0.14 0.00 0.31 -0.63 1.20 0.00 0.00 173.24 174.26 2kma s ILE 10 N 0.46 1.71 0.00 6.45 1.01 0.11 -0.36 121.20 130.58 2kma s ILE 10 Ca 0.30 -3.02 0.00 0.00 0.00 0.00 0.00 60.65 57.92 2kma s ILE 10 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2kma s ILE 10 CO 0.14 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.73 2kma n GLY 11 N 3.06 1.88 0.00 6.18 0.00 -1.26 -2.60 105.19 112.45 2kma n GLY 11 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2kma n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kma n ASN 12 N 3.53 0.62 -4.94 1.61 6.94 -1.26 -5.09 115.26 116.67 2kma n ASN 12 Ca 0.00 -0.05 -0.26 0.00 -0.02 0.00 0.00 54.58 54.26 2kma n ASN 12 Cb 0.00 0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kma s VAL 13 N -0.34 5.21 -0.03 3.53 0.11 -1.07 -5.11 120.40 122.69 2kma s VAL 13 Ca 0.00 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 2kma s VAL 13 Cb 0.00 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 31.10 2kma s VAL 13 CO 0.00 -0.26 0.05 0.54 -3.33 0.00 0.00 175.10 172.10 2kma s VAL 14 N -1.95 -0.09 0.08 2.04 0.11 -1.26 0.08 120.40 119.41 2kma s VAL 14 Ca 0.38 0.31 0.08 0.00 -2.93 0.00 0.00 61.98 59.81 2kma s VAL 14 Cb -0.10 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 2kma s VAL 14 CO 0.30 0.13 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.45 2kma s LYS 15 N 1.58 1.22 -0.31 1.54 -0.14 0.75 -4.91 119.74 119.47 2kma s LYS 15 Ca -0.03 -1.06 -0.13 0.00 -1.36 0.00 0.00 55.97 53.39 2kma s LYS 15 Cb -0.12 -1.41 -0.03 0.00 -1.68 0.00 0.00 37.83 34.58 2kma s LYS 15 CO -0.03 0.34 0.28 0.99 -0.76 0.00 0.00 175.35 176.17 2kma s THR 16 N -1.01 5.24 0.06 2.17 2.01 -1.26 0.12 115.64 122.97 2kma s THR 16 Ca 0.07 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.24 2kma s THR 16 Cb -0.09 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2kma s THR 16 CO 0.03 0.08 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.87 2kma s MET 17 N 1.88 0.77 -0.05 4.92 -1.94 -0.40 -4.97 119.30 119.51 2kma s MET 17 Ca 0.10 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 2kma s MET 17 Cb -0.16 -0.74 -0.02 0.00 2.01 0.00 0.00 34.83 35.92 2kma s MET 17 CO 0.11 0.16 -0.17 -0.65 -0.01 0.00 0.00 175.02 174.46 2kma s GLN 18 N -1.62 2.45 0.14 2.03 -0.21 -1.25 -0.29 119.66 120.90 2kma s GLN 18 Ca -0.03 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 54.64 2kma s GLN 18 Cb -0.10 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 2kma s GLN 18 CO 0.02 0.59 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.61 2kma s PHE 19 N -0.65 1.24 0.29 0.91 0.08 -0.63 -4.90 117.98 114.32 2kma s PHE 19 Ca 0.10 -0.73 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 2kma s PHE 19 Cb -0.11 -0.64 -0.10 0.00 -0.57 0.00 0.00 43.02 41.61 2kma s PHE 19 CO 0.00 0.07 1.11 -1.21 -0.10 0.00 0.00 175.22 175.10 2kma s GLU 20 N -3.51 4.60 0.33 0.44 2.02 -1.26 0.32 118.70 121.64 2kma s GLU 20 Ca 0.14 1.81 0.12 0.00 0.02 0.00 0.00 54.97 57.07 2kma s GLU 20 Cb 0.01 -3.15 1.01 0.00 0.10 0.00 0.00 34.13 32.11 2kma s GLU 20 CO 0.01 0.17 1.67 -1.00 0.02 0.00 0.00 175.26 176.13 2kma h PRO 21 N 3.72 0.33 -0.56 0.39 0.13 -1.91 0.22 132.00 134.33 2kma h PRO 21 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kma h PRO 21 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kma h PRO 21 CO 0.67 0.22 0.00 0.43 -0.23 0.00 0.00 178.00 179.09 2kma n SER 22 N -5.05 3.09 -4.57 1.44 7.64 -1.26 -1.31 113.62 113.60 2kma n SER 22 Ca 0.30 -2.15 -0.41 0.00 1.01 0.00 0.00 58.87 57.62 2kma n SER 22 Cb 0.91 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2kma n SER 22 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kma s THR 23 N -1.52 3.64 0.41 0.44 2.01 0.78 -4.79 115.64 116.61 2kma s THR 23 Ca 0.35 0.49 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 2kma s THR 23 Cb 0.20 -4.34 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 2kma s THR 23 CO 0.20 -1.17 1.33 0.80 -0.69 0.00 0.00 174.62 175.09 2kma n MET 24 N 8.91 2.09 -0.33 4.92 1.56 -1.26 -3.41 117.12 129.60 2kma n MET 24 Ca 0.13 0.74 0.04 0.00 -0.27 0.00 0.00 57.70 58.35 2kma n MET 24 Cb 0.50 -2.45 0.11 0.00 2.15 0.00 0.00 33.22 33.53 2kma n MET 24 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2kma n VAL 25 N -0.07 -0.40 -0.06 1.12 0.31 -1.16 0.38 118.33 118.44 2kma n VAL 25 Ca 0.06 2.09 0.09 0.00 -0.01 0.00 0.00 64.34 66.56 2kma n VAL 25 Cb 0.39 -2.86 0.47 0.00 -0.91 0.00 0.00 33.84 30.93 2kma n VAL 25 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 2kma h TYR 26 N 0.00 0.48 0.14 3.52 -0.00 -1.87 -0.56 116.97 118.69 2kma h TYR 26 Ca 0.41 0.01 -0.29 0.00 0.00 0.00 0.00 58.73 58.86 2kma h TYR 26 Cb 0.64 -0.16 0.02 0.00 0.00 0.00 0.00 36.73 37.23 2kma h TYR 26 CO -0.72 0.25 -1.27 0.22 -0.00 0.00 0.00 178.16 176.65 2kma h ASP 27 N 0.47 0.70 -0.55 0.10 3.58 -0.41 -3.16 116.42 117.15 2kma h ASP 27 Ca 0.24 -0.69 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 2kma h ASP 27 Cb 0.34 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2kma h ASP 27 CO -0.07 1.51 0.19 0.00 -2.88 0.00 0.00 179.24 178.00 2kma h ALA 28 N 0.40 0.72 -0.30 -0.78 0.00 -0.71 -2.34 119.26 116.25 2kma h ALA 28 Ca -0.18 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.64 2kma h ALA 28 Cb 1.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2kma h ALA 28 CO 0.23 0.36 0.28 0.00 0.00 0.00 0.00 179.25 180.12 2kma h ARG 30 N 0.00 0.43 0.08 0.00 0.11 -1.39 -3.10 114.38 110.51 2kma h ARG 30 Ca 0.14 -0.66 -0.26 0.00 0.10 0.00 0.00 59.98 59.31 2kma h ARG 30 Cb 0.71 0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 2kma h ARG 30 CO -0.00 1.29 -1.21 0.52 0.10 0.00 0.00 179.97 180.67 2kma h MET 31 N 0.15 0.17 -0.32 0.08 2.86 -1.25 -2.70 114.93 113.93 2kma h MET 31 Ca -0.17 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.12 2kma h MET 31 Cb 1.96 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.72 2kma h MET 31 CO 0.22 1.12 -0.01 0.97 1.06 0.00 0.00 176.91 180.27 2kma h ILE 32 N 0.05 1.26 0.00 -1.22 -0.00 -1.19 -1.66 117.51 114.74 2kma h ILE 32 Ca -0.11 -0.98 -0.03 0.00 -0.00 0.00 0.00 64.86 63.74 2kma h ILE 32 Cb 1.91 1.26 -0.00 0.00 -0.00 0.00 0.00 36.82 39.99 2kma h ILE 32 CO 0.17 0.32 -0.12 0.03 -0.00 0.00 0.00 178.15 178.55 2kma h ARG 33 N 0.38 0.00 0.71 2.19 3.08 -1.63 -1.33 114.38 117.77 2kma h ARG 33 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2kma h ARG 33 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.52 2kma h ARG 33 CO 0.02 0.12 -0.34 1.49 -1.07 0.00 0.00 179.97 180.19 2kma h GLU 34 N 0.00 -0.92 0.13 0.04 4.81 -0.96 -3.35 114.58 114.33 2kma h GLU 34 Ca -0.00 0.06 -0.30 0.00 -0.13 0.00 0.00 59.36 58.99 2kma h GLU 34 Cb 0.24 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2kma h GLU 34 CO 0.02 -0.61 -1.48 0.07 -0.73 0.00 0.00 179.01 176.27 2kma h ARG 35 N -1.16 0.28 -4.52 1.92 -0.00 -1.52 -3.44 114.38 105.94 2kma h ARG 35 Ca -0.10 -0.48 -0.72 0.00 -0.00 0.00 0.00 59.98 58.69 2kma h ARG 35 Cb 0.73 0.18 -0.22 0.00 -0.00 0.00 0.00 29.97 30.66 2kma h ARG 35 CO 0.16 1.17 -0.46 0.42 -0.00 0.00 0.00 179.97 181.26 2kma s ILE 36 N -2.62 5.01 -0.98 0.08 1.01 -0.50 -4.93 121.20 118.27 2kma s ILE 36 Ca -0.08 -0.76 0.23 0.00 0.00 0.00 0.00 60.65 60.04 2kma s ILE 36 Cb 0.07 -3.80 0.19 0.00 0.01 0.00 0.00 42.46 38.92 2kma s ILE 36 CO 0.87 -0.30 1.72 -2.65 0.00 0.00 0.00 174.94 174.58 2kma n PRO 37 N 5.10 0.01 0.01 2.79 -0.02 -1.26 -2.71 135.00 138.92 2kma n PRO 37 Ca -0.11 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 61.60 2kma n PRO 37 Cb 0.46 -1.52 0.48 0.00 -0.02 0.00 0.00 33.50 32.90 2kma n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kma n GLU 38 N -1.55 0.01 -0.03 -0.52 -0.58 -1.26 -3.68 120.64 113.04 2kma n GLU 38 Ca 0.05 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 2kma n GLU 38 Cb 0.27 -1.52 -0.10 0.00 -0.57 0.00 0.00 31.44 29.51 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 2.75 0.01 -1.27 0.62 0.00 -1.83 -3.37 119.26 116.18 2kma h ALA 39 Ca 0.00 -0.30 -0.77 0.00 0.00 0.00 0.00 54.91 53.84 2kma h ALA 39 Cb 0.40 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.00 2kma h ALA 39 CO 0.00 -0.18 1.62 1.47 0.00 0.00 0.00 179.25 182.15 2kma n LEU 40 N -4.79 6.47 -0.11 0.00 -0.00 -1.24 -4.70 117.00 112.63 2kma n LEU 40 Ca -0.09 -4.79 0.00 0.00 -0.00 0.00 0.00 56.01 51.13 2kma n LEU 40 Cb 0.30 -1.43 0.00 0.00 -0.00 0.00 0.00 43.42 42.29 2kma n LEU 40 CO 0.34 1.42 0.40 0.00 -0.00 0.00 0.00 177.39 179.55 2kma n ALA 41 N 3.29 2.39 0.00 1.47 0.00 -1.26 -4.87 120.51 121.53 2kma n ALA 41 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2kma n ALA 41 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.32 -0.77 3.63 0.00 0.00 -1.26 -5.10 105.19 102.00 2kma n GLY 42 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.22 3.72 0.45 1.61 0.02 -1.26 -4.85 135.00 134.45 2kma s PRO 43 Ca 0.00 2.07 0.30 0.00 0.02 0.00 0.00 61.00 63.39 2kma s PRO 43 Cb 0.00 -4.17 1.56 0.00 0.02 0.00 0.00 34.50 31.91 2kma s PRO 43 CO 0.00 -1.42 1.93 -1.00 -0.33 0.00 0.00 177.00 176.18 2kma h PRO 44 N 11.91 0.00 0.00 5.54 0.13 -1.94 0.03 132.00 147.67 2kma h PRO 44 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2kma h PRO 44 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kma h PRO 44 CO 0.97 0.00 -0.05 -0.91 -0.23 0.00 0.00 178.00 177.78 2kma h ASN 45 N 0.00 0.00 -0.57 1.44 2.35 -2.02 -2.71 115.58 114.08 2kma h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kma h ASN 45 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2kma h ASN 45 CO 0.00 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.30 2kma n ASP 46 N -3.14 3.52 -4.42 5.81 8.00 -0.00 -4.87 116.55 121.45 2kma n ASP 46 Ca 0.02 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.19 2kma n ASP 46 Cb 0.41 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.25 2.97 0.41 1.24 0.08 -1.02 0.71 117.98 121.12 2kma s PHE 47 Ca 0.43 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.98 2kma s PHE 47 Cb 0.23 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2kma s PHE 47 CO 0.31 -0.22 0.12 0.41 -0.10 0.00 0.00 175.22 175.74 2kma n GLY 48 N 3.96 3.30 3.37 4.36 0.00 0.88 -4.82 105.19 116.23 2kma n GLY 48 Ca -0.18 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.25 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 5.65 -0.15 0.99 1.43 -1.26 -1.74 118.68 123.60 2kma s LEU 49 Ca 0.17 -1.39 -0.14 0.00 -1.03 0.00 0.00 54.13 51.74 2kma s LEU 49 Cb 0.01 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 2kma s LEU 49 CO 0.12 -0.66 0.32 0.12 0.23 0.00 0.00 176.35 176.48 2kma s PHE 50 N 1.62 3.48 -0.39 0.29 5.36 0.16 0.48 117.98 128.99 2kma s PHE 50 Ca 0.04 0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 56.46 2kma s PHE 50 Cb -0.25 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 2kma s PHE 50 CO 0.06 0.26 0.58 -1.17 -1.46 0.00 0.00 175.22 173.49 2kma s LEU 51 N 0.37 4.44 -1.27 6.12 1.98 0.74 0.10 118.68 131.17 2kma s LEU 51 Ca 0.18 -0.19 -0.17 0.00 -2.89 0.00 0.00 54.13 51.06 2kma s LEU 51 Cb -0.13 -2.66 0.10 0.00 0.66 0.00 0.00 46.19 44.16 2kma s LEU 51 CO 0.05 -0.63 1.65 -0.44 -1.89 0.00 0.00 176.35 175.09 2kma s SER 52 N 1.86 6.90 0.02 3.68 0.01 -0.75 -2.98 113.70 122.44 2kma s SER 52 Ca 0.21 -2.58 -0.27 0.00 1.31 0.00 0.00 55.95 54.62 2kma s SER 52 Cb -0.15 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.40 2kma s SER 52 CO 0.16 -1.06 1.14 -0.78 0.41 0.00 0.00 173.24 173.11 2kma h ASP 53 N 7.50 -0.81 0.00 2.44 1.82 -1.81 -3.39 116.42 122.16 2kma h ASP 53 Ca 0.41 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2kma h ASP 53 Cb 0.87 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2kma h ASP 53 CO 1.40 -0.46 0.00 -0.67 -1.61 0.00 0.00 179.24 177.90 2kma n ASP 54 N -5.24 0.00 -4.83 2.28 -0.08 -1.26 -5.00 116.55 102.41 2kma n ASP 54 Ca -0.12 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.81 2kma n ASP 54 Cb 0.38 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.78 2kma n ASP 54 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kma s ASP 55 N -0.08 6.90 0.54 1.67 -1.08 -1.26 -4.93 116.67 118.42 2kma s ASP 55 Ca 0.00 1.26 0.33 0.00 -0.52 0.00 0.00 52.55 53.62 2kma s ASP 55 Cb 0.00 -2.36 1.50 0.00 -1.46 0.00 0.00 42.92 40.60 2kma s ASP 55 CO 0.00 -0.01 1.86 1.55 0.52 0.00 0.00 175.17 179.09 2kma h PRO 56 N 3.11 0.01 0.00 4.34 0.13 -1.97 0.12 132.00 137.73 2kma h PRO 56 Ca -0.48 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2kma h PRO 56 Cb 1.19 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kma h PRO 56 CO 0.66 0.00 -0.82 0.87 -0.23 0.00 0.00 178.00 178.48 2kma h LYS 57 N 0.01 0.00 0.00 0.86 1.79 -1.94 -3.25 116.57 114.04 2kma h LYS 57 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 2kma h LYS 57 Cb 1.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 2kma h LYS 57 CO -0.01 0.82 -0.60 1.63 -1.08 0.00 0.00 179.45 180.21 2kma n LYS 58 N -3.33 0.29 -2.52 3.15 5.02 0.25 -4.82 118.16 116.20 2kma n LYS 58 Ca 0.01 0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 2kma n LYS 58 Cb 0.86 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 2kma n LYS 58 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2kma s GLY 59 N -3.65 2.81 0.16 0.72 0.00 -0.30 -4.54 107.32 102.52 2kma s GLY 59 Ca 0.06 0.75 -0.09 0.00 0.00 0.00 0.00 44.72 45.44 2kma s GLY 59 CO 0.72 1.22 0.28 -0.26 0.00 0.00 0.00 173.10 175.05 2kma s ILE 60 N -1.54 0.07 -0.22 0.90 -4.36 -1.16 -4.93 121.20 109.96 2kma s ILE 60 Ca 0.55 -1.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.48 2kma s ILE 60 Cb -0.24 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 2kma s ILE 60 CO 0.31 -0.32 0.16 0.26 0.24 0.00 0.00 174.94 175.58 2kma s TRP 61 N -3.96 3.36 -0.48 1.37 0.52 -1.26 -0.19 118.94 118.30 2kma s TRP 61 Ca 0.16 0.29 -0.27 0.00 0.02 0.00 0.00 56.10 56.30 2kma s TRP 61 Cb 0.03 -2.24 0.03 0.00 -1.15 0.00 0.00 33.47 30.15 2kma s TRP 61 CO -0.01 0.15 1.03 -0.51 0.02 0.00 0.00 176.95 177.64 2kma s LEU 62 N 0.78 3.82 0.61 2.99 1.43 0.18 -4.96 118.68 123.53 2kma s LEU 62 Ca 0.08 0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 2kma s LEU 62 Cb -0.13 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2kma s LEU 62 CO 0.02 -1.18 1.10 -1.83 0.23 0.00 0.00 176.35 174.69 2kma s GLU 63 N 4.14 3.12 0.16 1.70 -1.05 -1.26 -4.39 118.70 121.11 2kma s GLU 63 Ca 0.41 1.39 0.20 0.00 -0.15 0.00 0.00 54.97 56.82 2kma s GLU 63 Cb -0.09 -1.99 0.83 0.00 -0.44 0.00 0.00 34.13 32.44 2kma s GLU 63 CO 0.28 -1.00 1.60 0.00 0.95 0.00 0.00 175.26 177.09 2kma n ALA 64 N -1.98 1.63 0.73 -0.84 0.00 -1.26 -2.82 120.51 115.97 2kma n ALA 64 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.62 2kma n ALA 64 Cb 0.52 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.08 0.99 3.14 0.00 0.00 -1.26 -4.43 105.19 103.55 2kma n GLY 65 Ca 0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.62 0.72 0.36 1.61 0.00 -1.13 -5.10 119.74 114.58 2kma s LYS 66 Ca 0.23 -1.09 -0.02 0.00 0.00 0.00 0.00 55.97 55.09 2kma s LYS 66 Cb 0.13 0.27 -0.04 0.00 0.00 0.00 0.00 37.83 38.20 2kma s LYS 66 CO 0.13 -0.18 0.60 0.00 0.00 0.00 0.00 175.35 175.89 2kma s ALA 67 N -3.86 3.62 0.03 0.59 0.00 -1.26 -3.01 121.76 117.86 2kma s ALA 67 Ca 0.06 -0.73 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 2kma s ALA 67 Cb 0.06 -2.26 -0.17 0.00 0.00 0.00 0.00 23.12 20.76 2kma s ALA 67 CO -0.10 -0.02 1.36 -0.07 0.00 0.00 0.00 175.76 176.92 2kma h LEU 68 N 0.89 -0.46 -0.65 0.00 3.38 -1.56 -3.04 115.31 113.88 2kma h LEU 68 Ca -0.49 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kma h LEU 68 Cb 1.21 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2kma h LEU 68 CO 0.63 -0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.33 2kma n ASP 69 N -5.23 0.58 0.27 -0.43 2.03 -0.43 -0.67 116.55 112.66 2kma n ASP 69 Ca -0.10 0.65 0.10 0.00 0.52 0.00 0.00 54.79 55.95 2kma n ASP 69 Cb 0.28 -0.77 0.70 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.00 -1.03 -0.67 3.20 -1.76 -3.42 116.97 113.29 2kma h TYR 70 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kma h TYR 70 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2kma h TYR 70 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 2kma n TYR 71 N -4.38 0.00 -0.76 -3.82 4.01 0.15 -4.98 117.16 107.38 2kma n TYR 71 Ca -0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.79 2kma n TYR 71 Cb 0.09 0.00 0.39 0.00 -0.31 0.00 0.00 39.34 39.51 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kma n MET 72 N 0.00 4.37 -4.01 -0.72 2.81 -1.26 -4.97 117.12 113.33 2kma n MET 72 Ca 0.00 -3.03 -0.29 0.00 -1.81 0.00 0.00 57.70 52.56 2kma n MET 72 Cb 0.00 -2.10 -0.05 0.00 -0.71 0.00 0.00 33.22 30.36 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 -2.32 3.99 0.00 4.03 0.05 -1.26 -5.07 118.68 118.11 2kma s LEU 73 Ca 0.53 0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.77 2kma s LEU 73 Cb 0.38 -2.63 0.00 0.00 -2.05 0.00 0.00 46.19 41.89 2kma s LEU 73 CO 0.20 0.14 0.00 -2.11 -0.55 0.00 0.00 176.35 174.03 2kma n ARG 74 N 0.16 0.00 -1.62 1.48 -4.01 -1.26 -4.54 116.66 106.86 2kma n ARG 74 Ca -0.07 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.30 2kma n ARG 74 Cb 0.52 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.91 2kma n ARG 74 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2kma n ASN 75 N -0.01 3.59 0.00 2.89 3.02 -1.26 -2.28 115.26 121.21 2kma n ASN 75 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 2kma n ASN 75 Cb 0.00 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 2kma n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kma n GLY 76 N 5.23 2.04 3.80 7.41 0.00 -0.22 -4.90 105.19 118.55 2kma n GLY 76 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.99 6.97 -0.17 1.61 1.01 -0.97 -4.82 116.67 118.32 2kma s ASP 77 Ca 0.00 1.84 -0.22 0.00 0.71 0.00 0.00 52.55 54.88 2kma s ASP 77 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2kma s ASP 77 CO 0.00 -0.33 0.68 -0.89 0.21 0.00 0.00 175.17 174.84 2kma s THR 78 N -1.86 5.00 -0.22 -1.27 2.01 -1.26 -1.44 115.64 116.60 2kma s THR 78 Ca 0.58 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.91 2kma s THR 78 Cb -0.16 -4.00 0.05 0.00 0.01 0.00 0.00 72.50 68.41 2kma s THR 78 CO 0.20 0.12 -0.07 -0.32 -0.69 0.00 0.00 174.62 173.86 2kma s MET 79 N 1.76 1.74 -0.14 4.92 1.75 0.18 -1.80 119.30 127.71 2kma s MET 79 Ca 0.32 -0.92 -0.22 0.00 -1.25 0.00 0.00 55.69 53.62 2kma s MET 79 Cb -0.16 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.98 2kma s MET 79 CO 0.12 -0.53 0.67 -2.00 -0.65 0.00 0.00 175.02 172.62 2kma s GLU 80 N 1.41 4.31 -0.55 4.11 2.12 0.29 -2.77 118.70 127.62 2kma s GLU 80 Ca -0.04 0.75 -0.17 0.00 0.36 0.00 0.00 54.97 55.86 2kma s GLU 80 Cb -0.18 -3.52 0.11 0.00 0.26 0.00 0.00 34.13 30.80 2kma s GLU 80 CO -0.07 -0.12 0.56 -0.47 -0.54 0.00 0.00 175.26 174.62 2kma s TYR 81 N 1.48 3.15 0.18 5.30 5.04 0.51 0.40 117.35 133.41 2kma s TYR 81 Ca 0.33 -1.08 0.02 0.00 -2.44 0.00 0.00 57.07 53.90 2kma s TYR 81 Cb -0.16 -3.77 -0.05 0.00 0.35 0.00 0.00 41.96 38.33 2kma s TYR 81 CO 0.13 -1.08 0.01 -0.98 -1.34 0.00 0.00 175.55 172.29 2kma s ARG 82 N 2.04 1.15 0.02 4.97 1.70 -0.71 -4.35 118.95 123.77 2kma s ARG 82 Ca 0.07 -1.56 -0.30 0.00 -0.47 0.00 0.00 55.73 53.46 2kma s ARG 82 Cb -0.27 -0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 33.75 2kma s ARG 82 CO 0.05 -0.14 1.62 0.21 -1.08 0.00 0.00 175.30 175.96 2kma s LYS 83 N -3.92 4.21 0.58 3.89 2.20 -1.26 -0.09 119.74 125.35 2kma s LYS 83 Ca 0.25 2.23 0.27 0.00 -0.36 0.00 0.00 55.97 58.37 2kma s LYS 83 Cb 0.06 -3.72 1.72 0.00 -1.51 0.00 0.00 37.83 34.38 2kma s LYS 83 CO 0.05 -0.74 2.23 0.87 -0.36 0.00 0.00 175.35 177.40 2kma h LYS 84 N 8.64 0.00 -6.19 4.03 1.57 -0.03 -3.41 116.57 121.18 2kma h LYS 84 Ca -0.41 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.79 2kma h LYS 84 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 2kma h LYS 84 CO 0.93 0.00 -0.17 -0.65 -0.57 0.00 0.00 179.45 178.99 2kma s GLN 85 N -4.72 3.87 0.07 3.15 -0.21 -1.26 0.44 119.66 121.01 2kma s GLN 85 Ca -0.05 0.34 0.08 0.00 0.02 0.00 0.00 55.36 55.75 2kma s GLN 85 Cb 0.15 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 2kma s GLN 85 CO 0.57 0.54 -0.22 -0.98 -2.12 0.00 0.00 175.29 173.08 2kma s ARG 86 N -1.83 1.38 -0.47 2.91 1.04 0.52 -4.74 118.95 117.75 2kma s ARG 86 Ca 0.34 -1.06 -0.27 0.00 -1.04 0.00 0.00 55.73 53.70 2kma s ARG 86 Cb -0.15 -1.57 -0.04 0.00 -2.04 0.00 0.00 34.95 31.15 2kma s ARG 86 CO 0.18 0.39 2.05 -1.25 -0.04 0.00 0.00 175.30 176.63 2kma s PRO 87 N -1.46 2.69 -0.23 3.89 0.04 -1.26 -2.73 135.00 135.94 2kma s PRO 87 Ca 0.08 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 2kma s PRO 87 Cb -0.09 -4.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.00 2kma s PRO 87 CO 0.03 -2.62 0.14 -0.51 0.04 0.00 0.00 177.00 174.08 2kma s LEU 88 N 9.40 4.03 -0.50 -3.56 1.43 -0.95 -4.62 118.68 123.91 2kma s LEU 88 Ca 0.83 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.80 2kma s LEU 88 Cb -0.18 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.00 2kma s LEU 88 CO 0.27 0.08 0.78 -0.54 0.23 0.00 0.00 176.35 177.17 2kma s LYS 89 N 0.96 3.29 -0.11 1.70 3.01 -1.26 -2.54 119.74 124.78 2kma s LYS 89 Ca 0.07 -0.41 0.02 0.00 -1.01 0.00 0.00 55.97 54.64 2kma s LYS 89 Cb -0.13 -4.02 -0.01 0.00 -1.01 0.00 0.00 37.83 32.65 2kma s LYS 89 CO 0.03 -1.26 -0.18 0.42 0.51 0.00 0.00 175.35 174.87 2kma s ILE 90 N 3.28 2.60 -0.22 2.17 -1.09 0.16 0.14 121.20 128.24 2kma s ILE 90 Ca 0.25 -0.83 -0.06 0.00 -2.23 0.00 0.00 60.65 57.78 2kma s ILE 90 Cb -0.14 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 2kma s ILE 90 CO 0.18 0.55 0.02 -0.60 -1.23 0.00 0.00 174.94 173.86 2kma s ARG 91 N 0.24 3.64 0.81 2.79 3.52 -0.23 -0.33 118.95 129.39 2kma s ARG 91 Ca -0.12 -0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 2kma s ARG 91 Cb -0.16 -3.16 0.10 0.00 -1.56 0.00 0.00 34.95 30.17 2kma s ARG 91 CO 0.07 -0.05 1.15 -1.64 -0.81 0.00 0.00 175.30 174.02 2kma s MET 92 N 1.18 1.72 0.25 5.12 -1.94 0.24 -0.36 119.30 125.51 2kma s MET 92 Ca 0.03 -0.19 -0.04 0.00 -1.71 0.00 0.00 55.69 53.79 2kma s MET 92 Cb -0.14 -2.01 0.48 0.00 2.01 0.00 0.00 34.83 35.16 2kma s MET 92 CO 0.02 -1.67 1.72 -0.07 -0.01 0.00 0.00 175.02 175.01 2kma h LEU 93 N -1.02 0.23 0.00 -0.03 -0.00 -1.87 0.46 115.31 113.08 2kma h LEU 93 Ca -0.45 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2kma h LEU 93 Cb 1.30 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 2kma h LEU 93 CO 0.57 0.06 0.00 -0.90 -0.00 0.00 0.00 178.44 178.17 2kma n ASP 94 N -5.04 0.00 0.00 -0.43 5.75 -1.26 -4.83 116.55 110.74 2kma n ASP 94 Ca 0.15 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.49 2kma n ASP 94 Cb 0.45 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kma n GLY 95 N 0.90 0.72 3.73 6.12 0.00 0.16 -5.06 105.19 111.77 2kma n GLY 95 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 4.74 -0.08 2.61 2.01 -1.23 -4.69 115.64 117.00 2kma s THR 96 Ca 0.00 1.74 -0.03 0.00 0.31 0.00 0.00 61.69 63.71 2kma s THR 96 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2kma s THR 96 CO 0.00 0.32 0.05 0.68 -0.69 0.00 0.00 174.62 174.98 2kma s VAL 97 N 0.17 4.71 0.06 3.82 -7.23 -1.26 0.83 120.40 121.49 2kma s VAL 97 Ca 0.41 -0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.42 2kma s VAL 97 Cb -0.21 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 2kma s VAL 97 CO 0.24 0.55 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.96 2kma s LYS 98 N -1.11 0.62 -0.21 4.82 -2.85 0.55 -4.97 119.74 116.60 2kma s LYS 98 Ca 0.16 -1.15 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 2kma s LYS 98 Cb -0.12 0.08 0.01 0.00 -2.06 0.00 0.00 37.83 35.74 2kma s LYS 98 CO 0.05 -0.07 -0.11 0.99 0.10 0.00 0.00 175.35 176.30 2kma s THR 99 N -3.44 2.71 0.06 3.79 2.01 -1.26 -0.67 115.64 118.85 2kma s THR 99 Ca 0.05 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2kma s THR 99 Cb 0.04 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2kma s THR 99 CO -0.07 0.43 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.62 2kma s ILE 100 N 1.37 1.28 -0.43 1.82 -1.16 -1.05 -4.91 121.20 118.12 2kma s ILE 100 Ca 0.04 -1.22 -0.22 0.00 -0.51 0.00 0.00 60.65 58.74 2kma s ILE 100 Cb -0.14 -1.17 0.02 0.00 0.61 0.00 0.00 42.46 41.78 2kma s ILE 100 CO -0.08 -0.06 0.75 -0.04 -2.81 0.00 0.00 174.94 172.70 2kma s MET 101 N -1.48 3.46 -0.06 3.50 -1.94 -1.26 -2.24 119.30 119.28 2kma s MET 101 Ca 0.02 -0.08 0.06 0.00 -1.71 0.00 0.00 55.69 53.98 2kma s MET 101 Cb -0.09 -3.91 -0.01 0.00 2.01 0.00 0.00 34.83 32.83 2kma s MET 101 CO 0.02 -1.02 -0.24 0.08 -0.01 0.00 0.00 175.02 173.85 2kma s VAL 102 N 3.13 2.20 0.24 -6.03 1.01 -1.10 -4.75 120.40 115.10 2kma s VAL 102 Ca 0.28 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 2kma s VAL 102 Cb -0.13 -1.81 -0.11 0.00 0.00 0.00 0.00 36.38 34.33 2kma s VAL 102 CO 0.20 0.57 1.60 -1.81 0.00 0.00 0.00 175.10 175.67 2kma s ASP 103 N -0.25 6.44 0.09 3.32 1.11 -1.26 -0.36 116.67 125.77 2kma s ASP 103 Ca -0.01 2.84 0.25 0.00 0.18 0.00 0.00 52.55 55.82 2kma s ASP 103 Cb -0.13 -2.62 0.58 0.00 1.07 0.00 0.00 42.92 41.83 2kma s ASP 103 CO 0.03 -0.89 1.50 -0.67 1.18 0.00 0.00 175.17 176.32 2kma n ASP 104 N 2.96 0.57 -0.50 0.27 2.03 0.17 -3.92 116.55 118.12 2kma n ASP 104 Ca 0.11 0.16 0.01 0.00 0.52 0.00 0.00 54.79 55.59 2kma n ASP 104 Cb 0.37 -0.07 0.04 0.00 -0.72 0.00 0.00 41.12 40.74 2kma n ASP 104 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kma n SER 105 N -1.91 1.17 -4.02 1.67 3.41 -1.26 -4.66 113.62 108.03 2kma n SER 105 Ca 0.05 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.49 2kma n SER 105 Cb 0.40 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.35 1.31 0.97 4.33 0.00 -1.25 -5.07 119.74 118.68 2kma s LYS 106 Ca 0.05 -1.28 -0.16 0.00 0.00 0.00 0.00 55.97 54.57 2kma s LYS 106 Cb 0.03 0.39 0.23 0.00 0.00 0.00 0.00 37.83 38.49 2kma s LYS 106 CO 0.02 -0.50 1.09 0.25 0.00 0.00 0.00 175.35 176.21 2kma n THR 107 N -0.29 0.00 -0.03 3.79 -2.24 -1.26 -4.62 114.28 109.63 2kma n THR 107 Ca -0.04 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 2kma n THR 107 Cb 0.63 -1.41 -0.07 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.10 1.28 -0.61 2.28 2.07 -1.89 -2.65 116.25 114.63 2kma h VAL 108 Ca -0.38 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.34 2kma h VAL 108 Cb 1.08 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 32.44 2kma h VAL 108 CO 0.26 0.25 -0.50 0.74 0.02 0.00 0.00 177.57 178.34 2kma h THR 109 N -0.14 0.04 -0.51 2.57 2.02 -1.94 0.64 112.91 115.59 2kma h THR 109 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 2kma h THR 109 Cb 0.39 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2kma h THR 109 CO 0.01 0.00 0.07 -0.78 0.37 0.00 0.00 175.52 175.19 2kma h ASP 110 N -0.24 0.76 -0.24 4.18 1.82 -1.94 -0.62 116.42 120.15 2kma h ASP 110 Ca 0.15 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2kma h ASP 110 Cb 0.55 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 2kma h ASP 110 CO -0.71 0.79 0.11 -0.03 -1.61 0.00 0.00 179.24 177.78 2kma h MET 111 N 0.77 0.34 -0.43 0.28 4.05 -0.85 -0.44 114.93 118.65 2kma h MET 111 Ca 0.16 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2kma h MET 111 Cb 0.36 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2kma h MET 111 CO 0.01 0.35 0.17 1.25 0.23 0.00 0.00 176.91 178.92 2kma h LEU 112 N 0.25 0.60 -0.75 3.39 5.85 0.60 -1.21 115.31 124.03 2kma h LEU 112 Ca 0.08 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2kma h LEU 112 Cb 0.12 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2kma h LEU 112 CO -0.01 0.60 0.42 -0.03 -0.34 0.00 0.00 178.44 179.08 2kma h MET 113 N 0.55 0.71 -0.87 1.25 4.05 -1.00 0.13 114.93 119.75 2kma h MET 113 Ca 0.14 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2kma h MET 113 Cb 0.19 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 2kma h MET 113 CO -0.01 0.47 0.52 1.15 0.23 0.00 0.00 176.91 179.27 2kma h THR 114 N 0.73 1.24 0.05 -0.77 2.02 -0.44 -2.32 112.91 113.42 2kma h THR 114 Ca 0.35 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 2kma h THR 114 Cb 0.29 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2kma h THR 114 CO -0.23 0.26 -0.33 0.40 0.37 0.00 0.00 175.52 175.99 2kma h ILE 115 N 1.20 1.64 -0.03 3.11 2.04 -0.24 -3.25 117.51 121.98 2kma h ILE 115 Ca 0.31 -2.32 -0.05 0.00 1.00 0.00 0.00 64.86 63.81 2kma h ILE 115 Cb -0.04 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2kma h ILE 115 CO -0.06 0.63 -0.20 0.00 0.00 0.00 0.00 178.15 178.53 2kma h ALA 117 N 1.75 1.30 -0.18 0.00 0.00 -1.49 0.11 119.26 120.75 2kma h ALA 117 Ca 0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2kma h ALA 117 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kma h ALA 117 CO 0.03 0.21 -0.45 0.00 0.00 0.00 0.00 179.25 179.03 2kma h ARG 118 N 0.00 0.46 0.24 0.00 2.47 -1.18 -3.11 114.38 113.25 2kma h ARG 118 Ca -0.00 -0.24 -0.32 0.00 -1.26 0.00 0.00 59.98 58.15 2kma h ARG 118 Cb 0.42 0.01 0.04 0.00 -1.65 0.00 0.00 29.97 28.78 2kma h ARG 118 CO 0.02 0.82 -1.40 0.82 0.56 0.00 0.00 179.97 180.79 2kma h ILE 119 N 0.37 1.31 0.00 2.04 1.08 -1.45 -3.48 117.51 117.38 2kma h ILE 119 Ca 0.03 -2.67 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 2kma h ILE 119 Cb 0.94 3.06 0.00 0.00 -3.07 0.00 0.00 36.82 37.75 2kma h ILE 119 CO 0.08 0.80 0.00 0.61 -0.69 0.00 0.00 178.15 178.95 2kma n GLY 120 N 1.70 1.47 3.29 5.37 0.00 -0.35 -5.12 105.19 111.55 2kma n GLY 120 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.80 3.67 0.01 -0.61 1.01 0.24 -4.97 121.20 118.75 2kma s ILE 121 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 60.65 59.86 2kma s ILE 121 Cb 0.00 -2.93 -0.23 0.00 0.01 0.00 0.00 42.46 39.31 2kma s ILE 121 CO 0.00 0.04 0.87 0.00 0.00 0.00 0.00 174.94 175.85 2kma h THR 122 N 6.01 1.14 -3.25 2.92 1.03 -1.96 -3.30 112.91 115.49 2kma h THR 122 Ca -0.29 -2.94 -0.59 0.00 -0.01 0.00 0.00 66.41 62.58 2kma h THR 122 Cb 1.11 2.58 -0.08 0.00 -1.07 0.00 0.00 68.15 70.70 2kma h THR 122 CO 0.59 0.67 0.66 0.54 -0.01 0.00 0.00 175.52 177.98 2kma s ASN 123 N -6.36 6.91 0.00 0.00 4.22 -1.26 -4.85 114.94 113.61 2kma s ASN 123 Ca -0.03 1.08 0.00 0.00 -2.14 0.00 0.00 52.86 51.77 2kma s ASN 123 Cb 0.09 -2.49 0.00 0.00 1.28 0.00 0.00 41.25 40.12 2kma s ASN 123 CO 0.82 -0.68 0.13 0.00 -2.04 0.00 0.00 177.10 175.33 2kma n HIS 124 N 6.37 0.00 0.22 1.54 1.44 -1.26 -4.69 115.22 118.84 2kma n HIS 124 Ca 0.09 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.91 2kma n HIS 124 Cb 0.47 0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.91 2kma n HIS 124 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 2kma h ASP 125 N 0.00 0.00 0.77 4.39 2.03 -1.97 -3.04 116.42 118.60 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kma h ASP 125 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 2kma h ASP 125 CO 0.00 0.14 -0.03 -0.62 -1.03 0.00 0.00 179.24 177.70 2kma n GLU 126 N -3.18 0.20 -4.14 4.15 1.02 -1.26 -4.80 120.64 112.63 2kma n GLU 126 Ca 0.02 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 2kma n GLU 126 Cb 0.49 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kma s TYR 127 N -2.81 3.03 -0.02 -0.32 2.02 -1.15 0.21 117.35 118.31 2kma s TYR 127 Ca 0.20 0.00 0.07 0.00 -0.37 0.00 0.00 57.07 56.98 2kma s TYR 127 Cb 0.19 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2kma s TYR 127 CO 0.51 0.48 -0.23 -1.12 -1.57 0.00 0.00 175.55 173.62 2kma s SER 128 N -2.20 2.73 0.12 2.29 0.01 0.56 -4.81 113.70 112.40 2kma s SER 128 Ca 0.25 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 2kma s SER 128 Cb -0.12 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.75 2kma s SER 128 CO 0.17 0.29 0.91 -0.22 0.41 0.00 0.00 173.24 174.80 2kma s LEU 129 N -0.55 4.51 -0.14 2.44 0.20 -1.21 -2.96 118.68 120.97 2kma s LEU 129 Ca 0.09 1.73 -0.02 0.00 0.69 0.00 0.00 54.13 56.63 2kma s LEU 129 Cb -0.09 -3.50 0.04 0.00 -0.43 0.00 0.00 46.19 42.21 2kma s LEU 129 CO -0.01 -0.00 -0.00 0.54 -0.29 0.00 0.00 176.35 176.58 2kma s VAL 130 N -0.23 0.65 -0.47 1.68 0.11 -0.81 0.16 120.40 121.49 2kma s VAL 130 Ca 0.44 -0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.02 2kma s VAL 130 Cb -0.23 -0.93 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2kma s VAL 130 CO 0.28 0.06 0.38 -0.13 -3.33 0.00 0.00 175.10 172.37 2kma s ARG 131 N 1.83 2.83 -0.68 1.54 0.52 0.26 0.71 118.95 125.95 2kma s ARG 131 Ca 0.02 -1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 53.44 2kma s ARG 131 Cb -0.15 -4.06 0.01 0.00 0.52 0.00 0.00 34.95 31.27 2kma s ARG 131 CO -0.07 -1.10 1.53 -1.21 0.02 0.00 0.00 175.30 174.47 2kma s GLU 132 N 1.54 2.95 0.32 3.54 2.02 -0.58 -3.23 118.70 125.26 2kma s GLU 132 Ca 0.04 0.13 0.04 0.00 0.02 0.00 0.00 54.97 55.20 2kma s GLU 132 Cb -0.26 -4.27 0.04 0.00 0.10 0.00 0.00 34.13 29.75 2kma s GLU 132 CO 0.04 -2.40 0.34 1.28 0.02 0.00 0.00 175.26 174.54 2kma n LEU 133 N 10.82 0.00 -1.16 1.80 4.77 -1.24 -3.45 117.00 128.54 2kma n LEU 133 Ca 0.11 -1.55 0.11 0.00 -0.03 0.00 0.00 56.01 54.65 2kma n LEU 133 Cb 0.50 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.73 2kma n LEU 133 CO 0.71 -0.52 0.73 1.15 -1.33 0.00 0.00 177.39 178.13 2kma n MET 134 N -1.46 2.49 -1.57 3.23 0.00 -1.26 -4.86 117.12 113.69 2kma n MET 134 Ca 0.04 -2.28 -0.63 0.00 0.00 0.00 0.00 57.70 54.82 2kma n MET 134 Cb 0.35 -1.52 -0.10 0.00 0.00 0.00 0.00 33.22 31.96 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 1.42 0.20 0.08 3.17 -0.58 -1.26 -4.84 120.64 118.84 2kma n GLU 135 Ca 0.21 0.07 0.12 0.00 -0.42 0.00 0.00 57.16 57.13 2kma n GLU 135 Cb 0.58 -1.63 0.15 0.00 -0.57 0.00 0.00 31.44 29.97 2kma n GLU 135 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2kma h GLU 136 N 6.95 0.00 0.00 3.49 4.11 -1.98 -2.75 114.58 124.40 2kma h GLU 136 Ca -0.33 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.92 2kma h GLU 136 Cb 1.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 2kma h GLU 136 CO 1.02 0.00 -1.33 1.63 0.07 0.00 0.00 179.01 180.39 2kma n LYS 137 N -2.32 0.53 -0.07 1.06 5.02 -1.26 -4.65 118.16 116.48 2kma n LYS 137 Ca 0.03 0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 2kma n LYS 137 Cb 0.47 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.00 0.00 -5.64 1.97 1.57 -1.98 -3.49 116.57 108.00 2kma h LYS 138 Ca -0.28 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 2kma h LYS 138 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2kma h LYS 138 CO -0.17 0.66 -0.56 -3.47 -0.57 0.00 0.00 179.45 175.35 2kma n ASP 169 N -4.64 -7.25 -4.09 0.86 2.03 -1.04 -5.05 116.55 97.37 2kma n ASP 169 Ca -0.09 0.16 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 2kma n ASP 169 Cb 0.35 -4.43 -0.08 0.00 -0.72 0.00 0.00 41.12 36.24 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 -2.85 1.28 0.00 -0.67 2.02 -1.26 -5.00 118.70 112.22 2kma s GLU 170 Ca 0.20 -1.42 0.27 0.00 0.02 0.00 0.00 54.97 54.04 2kma s GLU 170 Cb -0.04 0.35 1.26 0.00 0.10 0.00 0.00 34.13 35.79 2kma s GLU 170 CO 0.79 -0.47 1.89 1.28 0.02 0.00 0.00 175.26 178.78 2kma n LEU 171 N -0.28 0.00 -3.37 1.80 4.77 -1.26 -3.70 117.00 114.96 2kma n LEU 171 Ca -0.01 0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 56.16 2kma n LEU 171 Cb 0.64 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2kma n LEU 171 CO 0.28 -0.04 -0.05 0.59 -1.33 0.00 0.00 177.39 176.84 2kma n ASN 172 N -1.39 -6.32 -4.47 -1.43 3.02 -1.20 0.89 115.26 104.36 2kma n ASN 172 Ca 0.10 -0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 53.96 2kma n ASN 172 Cb 0.26 -3.26 -0.03 0.00 -0.61 0.00 0.00 39.78 36.14 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 -2.54 2.92 -0.07 3.10 0.52 -1.26 -0.34 118.94 121.27 2kma s TRP 173 Ca 0.15 -1.10 -0.29 0.00 0.02 0.00 0.00 56.10 54.87 2kma s TRP 173 Cb -0.02 -4.36 -0.06 0.00 -1.15 0.00 0.00 33.47 27.88 2kma s TRP 173 CO 0.83 -1.60 1.87 -0.51 0.02 0.00 0.00 176.95 177.55 2kma s LEU 174 N 3.40 4.17 -0.15 2.99 1.43 0.41 -4.85 118.68 126.08 2kma s LEU 174 Ca 0.33 2.27 0.10 0.00 -1.03 0.00 0.00 54.13 55.80 2kma s LEU 174 Cb -0.07 -3.53 0.56 0.00 0.03 0.00 0.00 46.19 43.18 2kma s LEU 174 CO -0.05 -1.19 1.36 -0.67 0.23 0.00 0.00 176.35 176.03 2kma n ASP 175 N 8.20 4.16 -3.05 2.29 2.03 -1.26 -3.31 116.55 125.61 2kma n ASP 175 Ca 0.20 -2.60 -0.17 0.00 0.52 0.00 0.00 54.79 52.74 2kma n ASP 175 Cb 0.43 -0.61 0.07 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.46 -2.12 0.00 -0.67 8.25 -1.26 -4.86 115.22 115.03 2kma n HIS 176 Ca 0.19 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.47 2kma n HIS 176 Cb 0.87 -4.47 0.00 0.00 1.12 0.00 0.00 29.99 27.51 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 -1.44 0.05 3.86 -1.41 0.00 -1.26 -4.75 105.19 100.24 2kma n GLY 177 Ca -0.12 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2kma n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kma s ARG 178 N -1.00 3.69 0.49 1.61 3.52 -1.26 -5.00 118.95 120.99 2kma s ARG 178 Ca 0.00 0.14 -0.21 0.00 -0.13 0.00 0.00 55.73 55.53 2kma s ARG 178 Cb 0.00 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.11 2kma s ARG 178 CO 0.00 0.73 1.09 -0.08 -0.81 0.00 0.00 175.30 176.22 2kma s THR 179 N -1.03 3.49 0.31 4.11 -1.32 -1.26 -4.47 115.64 115.47 2kma s THR 179 Ca 0.19 0.98 0.07 0.00 -1.21 0.00 0.00 61.69 61.73 2kma s THR 179 Cb -0.14 -3.43 0.05 0.00 -1.51 0.00 0.00 72.50 67.47 2kma s THR 179 CO 0.09 -0.15 1.72 -0.07 -2.21 0.00 0.00 174.62 174.00 2kma h LEU 180 N 1.64 0.24 -0.18 9.08 3.38 -1.83 -1.46 115.31 126.18 2kma h LEU 180 Ca -0.49 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2kma h LEU 180 Cb 1.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kma h LEU 180 CO 0.59 0.61 0.00 0.54 0.09 0.00 0.00 178.44 180.27 2kma n ARG 181 N -4.05 0.08 0.00 1.13 5.12 -1.26 -1.89 116.66 115.79 2kma n ARG 181 Ca -0.01 0.24 0.10 0.00 -1.93 0.00 0.00 57.85 56.25 2kma n ARG 181 Cb 0.46 -1.63 -0.06 0.00 -1.16 0.00 0.00 32.46 30.07 2kma n ARG 181 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2kma n GLU 182 N -1.77 0.86 0.07 5.56 4.07 -0.58 -4.27 120.64 124.58 2kma n GLU 182 Ca 0.04 -0.45 -0.23 0.00 -0.06 0.00 0.00 57.16 56.46 2kma n GLU 182 Cb 0.25 -1.44 -0.15 0.00 -0.06 0.00 0.00 31.44 30.04 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 1.08 0.39 0.00 5.31 4.20 -1.08 -3.49 115.11 121.53 2kma h GLN 183 Ca 0.00 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.04 2kma h GLN 183 Cb 0.58 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2kma h GLN 183 CO 0.00 1.32 0.00 0.41 -0.67 0.00 0.00 178.83 179.89 2kma n GLY 184 N 1.87 0.93 3.93 3.46 0.00 -1.13 -5.08 105.19 109.16 2kma n GLY 184 Ca -0.25 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 2.74 0.00 1.61 -7.23 -1.25 -5.06 120.40 109.20 2kma s VAL 185 Ca 0.00 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 2kma s VAL 185 Cb 0.00 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2kma s VAL 185 CO 0.00 -0.15 0.00 -1.84 -0.31 0.00 0.00 175.10 172.80 2kma n GLU 186 N -2.77 2.09 -1.38 4.82 -0.00 -1.26 -5.00 120.64 117.13 2kma n GLU 186 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.17 2kma n GLU 186 Cb 0.59 0.00 0.11 0.00 -0.00 0.00 0.00 31.44 32.14 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 0.00 2.21 0.00 3.44 4.71 -1.26 -4.73 120.64 125.01 2kma n GLU 187 Ca 0.00 -3.52 0.00 0.00 -0.01 0.00 0.00 57.16 53.63 2kma n GLU 187 Cb 0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 28.72 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2kma n HIS 188 N -0.78 0.00 -3.52 -0.32 1.44 -1.26 -4.74 115.22 106.05 2kma n HIS 188 Ca 0.26 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.74 2kma n HIS 188 Cb 0.85 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.94 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 -0.07 3.44 -0.06 -1.40 0.41 -1.26 -5.00 118.70 114.76 2kma s GLU 189 Ca 0.00 -0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 53.79 2kma s GLU 189 Cb 0.00 -2.72 -0.02 0.00 -1.78 0.00 0.00 34.13 29.60 2kma s GLU 189 CO 0.00 0.20 1.07 0.99 -0.49 0.00 0.00 175.26 177.03 2kma s THR 190 N -2.24 4.59 -0.12 3.63 2.01 -1.22 -4.39 115.64 117.89 2kma s THR 190 Ca 0.39 1.87 -0.02 0.00 0.31 0.00 0.00 61.69 64.24 2kma s THR 190 Cb -0.09 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2kma s THR 190 CO 0.34 0.03 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.48 2kma s LEU 191 N 1.85 3.13 -0.07 4.42 2.01 0.12 -1.53 118.68 128.61 2kma s LEU 191 Ca 0.52 -0.13 -0.01 0.00 0.01 0.00 0.00 54.13 54.52 2kma s LEU 191 Cb -0.21 -1.72 -0.03 0.00 0.01 0.00 0.00 46.19 44.23 2kma s LEU 191 CO 0.21 0.23 -0.02 -0.76 1.01 0.00 0.00 176.35 177.02 2kma s LEU 192 N 0.01 3.44 -0.31 1.79 1.43 0.22 -1.07 118.68 124.18 2kma s LEU 192 Ca -0.01 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.97 2kma s LEU 192 Cb -0.14 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 2kma s LEU 192 CO 0.03 0.37 0.67 -0.22 0.23 0.00 0.00 176.35 177.43 2kma s LEU 193 N -0.90 4.15 0.05 1.79 0.20 0.51 -1.92 118.68 122.56 2kma s LEU 193 Ca 0.13 0.44 0.07 0.00 0.69 0.00 0.00 54.13 55.45 2kma s LEU 193 Cb -0.11 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.75 2kma s LEU 193 CO 0.02 -0.53 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.24 2kma s ARG 194 N 2.71 1.18 -0.14 1.98 1.81 -1.15 -4.03 118.95 121.31 2kma s ARG 194 Ca 0.27 -0.91 -0.11 0.00 -1.72 0.00 0.00 55.73 53.25 2kma s ARG 194 Cb -0.15 -1.28 -0.05 0.00 -0.45 0.00 0.00 34.95 33.03 2kma s ARG 194 CO 0.12 0.32 0.23 -0.98 -0.68 0.00 0.00 175.30 174.32 2kma s ARG 195 N -1.28 3.99 -0.25 3.54 1.70 -1.26 -0.32 118.95 125.07 2kma s ARG 195 Ca 0.05 0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.35 2kma s ARG 195 Cb -0.09 -3.34 -0.17 0.00 -0.57 0.00 0.00 34.95 30.79 2kma s ARG 195 CO 0.02 0.45 -0.21 1.17 -1.08 0.00 0.00 175.30 175.66 2kma n LYS 196 N 2.91 0.64 -3.93 3.89 4.81 0.13 -4.87 118.16 121.74 2kma n LYS 196 Ca -0.15 0.14 -0.32 0.00 -0.87 0.00 0.00 58.31 57.10 2kma n LYS 196 Cb 0.53 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.50 3.50 -0.40 5.64 0.08 -0.23 -5.05 117.98 119.02 2kma s PHE 197 Ca -0.32 0.29 0.07 0.00 0.12 0.00 0.00 56.93 57.08 2kma s PHE 197 Cb 0.09 -1.78 0.24 0.00 -0.57 0.00 0.00 43.02 40.99 2kma s PHE 197 CO 0.59 0.61 0.53 1.97 -0.10 0.00 0.00 175.22 178.82 2kma n PHE 198 N 0.63 -0.74 0.00 0.36 1.16 -1.26 -4.74 117.46 112.87 2kma n PHE 198 Ca -0.08 -3.35 0.00 0.00 -1.87 0.00 0.00 57.45 52.15 2kma n PHE 198 Cb 0.52 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.30 2kma n PHE 198 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 2kma n TYR 199 N 1.63 0.00 -1.66 2.97 4.11 -1.26 -5.15 117.16 117.80 2kma n TYR 199 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.11 2kma n TYR 199 Cb 0.53 0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 2kma n TYR 199 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2kma n SER 200 N -2.80 -8.54 -0.56 9.48 2.88 -1.26 -4.54 113.62 108.27 2kma n SER 200 Ca 0.00 1.44 0.01 0.00 -1.33 0.00 0.00 58.87 58.99 2kma n SER 200 Cb 0.43 -5.09 0.04 0.00 -0.75 0.00 0.00 64.21 58.84 2kma n SER 200 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kma n ASP 201 N -1.43 1.30 0.00 -3.46 5.75 -1.26 -5.25 116.55 112.20 2kma n ASP 201 Ca 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2kma n ASP 201 Cb 0.15 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2kma n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09