#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 4.30 -3.00 -0.61 -5.35 -1.26 -4.93 119.36 108.51 2kma n ILE -4 Ca 0.00 -2.96 -0.40 0.00 -0.27 0.00 0.00 62.75 59.12 2kma n ILE -4 Cb 0.00 -2.27 -0.05 0.00 -1.74 0.00 0.00 39.64 35.59 2kma n ILE -4 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2kma s ASP -3 N 1.44 7.14 0.44 7.28 1.01 -1.26 -5.03 116.67 127.69 2kma s ASP -3 Ca 0.64 1.36 -0.25 0.00 0.71 0.00 0.00 52.55 55.01 2kma s ASP -3 Cb 0.22 -2.45 -0.08 0.00 1.01 0.00 0.00 42.92 41.62 2kma s ASP -3 CO -0.08 -0.04 1.31 -2.84 0.21 0.00 0.00 175.17 173.74 2kma s PRO -2 N 0.26 3.80 -0.83 8.23 0.02 -1.26 -4.00 135.00 141.21 2kma s PRO -2 Ca 0.39 2.16 -0.03 0.00 0.02 0.00 0.00 61.00 63.53 2kma s PRO -2 Cb -0.20 -2.64 -0.00 0.00 0.02 0.00 0.00 34.50 31.68 2kma s PRO -2 CO 0.21 -0.63 0.69 0.34 -0.33 0.00 0.00 177.00 177.28 2kma n PHE -1 N -0.14 -2.51 0.00 6.54 7.35 -1.26 -3.78 117.46 123.65 2kma n PHE -1 Ca 0.05 0.94 0.00 0.00 -0.76 0.00 0.00 57.45 57.68 2kma n PHE -1 Cb 0.44 -3.58 0.00 0.00 0.35 0.00 0.00 39.48 36.69 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2kma n THR 0 N -2.42 0.00 -2.02 -2.13 -2.24 -1.26 -0.55 114.28 103.67 2kma n THR 0 Ca -0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 2kma n THR 0 Cb 0.58 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 11.54 3.55 -3.36 -0.78 0.00 -1.26 -4.62 117.12 122.19 2kma n MET 1 Ca 0.00 -4.15 -0.26 0.00 -0.00 0.00 0.00 57.70 53.29 2kma n MET 1 Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 33.22 30.85 2kma n MET 1 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2kma n VAL 2 N -0.70 -0.88 -3.68 1.12 0.24 0.29 -5.03 118.33 109.68 2kma n VAL 2 Ca 0.45 -3.68 -0.30 0.00 -2.04 0.00 0.00 64.34 58.77 2kma n VAL 2 Cb 0.93 -1.77 -0.13 0.00 -1.47 0.00 0.00 33.84 31.40 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -0.39 1.82 -0.17 2.33 0.00 -1.25 -4.17 121.76 119.94 2kma s ALA 3 Ca 0.33 -2.27 -0.24 0.00 0.00 0.00 0.00 51.96 49.78 2kma s ALA 3 Cb 0.07 -1.78 -0.11 0.00 0.00 0.00 0.00 23.12 21.30 2kma s ALA 3 CO -0.17 -1.98 0.76 1.28 0.00 0.00 0.00 175.76 175.65 2kma n LEU 4 N 3.93 0.41 -4.39 0.00 4.32 -0.23 -4.32 117.00 116.72 2kma n LEU 4 Ca 0.07 0.64 -0.45 0.00 -0.02 0.00 0.00 56.01 56.25 2kma n LEU 4 Cb 0.37 -0.49 -0.06 0.00 -1.62 0.00 0.00 43.42 41.62 2kma n LEU 4 CO 0.20 -0.68 0.29 -0.94 -1.22 0.00 0.00 177.39 175.04 2kma s SER 5 N 1.01 6.19 -0.11 -1.43 1.04 -1.24 -0.89 113.70 118.28 2kma s SER 5 Ca 0.54 -1.32 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 2kma s SER 5 Cb -0.77 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.06 2kma s SER 5 CO 0.40 -0.94 -0.08 -0.76 0.98 0.00 0.00 173.24 172.83 2kma s LEU 6 N 2.35 3.03 -0.58 2.42 1.43 0.12 -0.92 118.68 126.53 2kma s LEU 6 Ca 0.10 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2kma s LEU 6 Cb -0.24 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.35 2kma s LEU 6 CO 0.07 0.26 0.97 -0.54 0.23 0.00 0.00 176.35 177.35 2kma s LYS 7 N -0.19 3.29 -0.48 1.70 1.02 -0.50 -1.40 119.74 123.17 2kma s LYS 7 Ca 0.02 -0.36 -0.24 0.00 0.02 0.00 0.00 55.97 55.41 2kma s LYS 7 Cb -0.13 -4.09 0.03 0.00 -0.52 0.00 0.00 37.83 33.12 2kma s LYS 7 CO 0.03 -1.60 0.88 0.42 -0.92 0.00 0.00 175.35 174.16 2kma s ILE 8 N 4.11 4.52 -0.23 2.17 1.09 0.23 0.41 121.20 133.50 2kma s ILE 8 Ca 0.29 0.50 -0.16 0.00 -1.10 0.00 0.00 60.65 60.19 2kma s ILE 8 Cb -0.13 -4.42 -0.04 0.00 -1.06 0.00 0.00 42.46 36.82 2kma s ILE 8 CO 0.17 -0.86 0.42 -0.94 -0.10 0.00 0.00 174.94 173.63 2kma s SER 9 N 2.36 6.39 -0.45 3.58 1.04 -1.07 0.52 113.70 126.07 2kma s SER 9 Ca 0.33 0.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 2kma s SER 9 Cb -0.11 -2.24 0.12 0.00 0.10 0.00 0.00 66.02 63.89 2kma s SER 9 CO 0.23 -0.15 0.23 -0.63 0.98 0.00 0.00 173.24 173.90 2kma s ILE 10 N 1.72 3.12 0.00 -1.02 1.01 -0.03 -1.68 121.20 124.32 2kma s ILE 10 Ca 0.18 -2.43 0.00 0.00 0.00 0.00 0.00 60.65 58.41 2kma s ILE 10 Cb -0.15 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.18 2kma s ILE 10 CO 0.09 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 174.91 2kma n GLY 11 N 4.15 1.34 1.32 6.18 0.00 -1.26 -3.21 105.19 113.71 2kma n GLY 11 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 3.07 0.00 -4.68 1.61 5.15 -1.26 -5.14 115.26 114.01 2kma n ASN 12 Ca 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 2kma n ASN 12 Cb 0.00 0.33 0.13 0.00 -0.53 0.00 0.00 39.78 39.71 2kma n ASN 12 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2kma n VAL 13 N -2.16 2.03 -4.21 3.44 3.14 -1.20 -4.94 118.33 114.43 2kma n VAL 13 Ca 0.00 -0.22 -0.30 0.00 -2.96 0.00 0.00 64.34 60.86 2kma n VAL 13 Cb 0.00 -1.17 -0.16 0.00 -1.06 0.00 0.00 33.84 31.44 2kma n VAL 13 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kma s VAL 14 N -2.11 1.68 -0.09 1.55 0.11 -1.26 -0.85 120.40 119.43 2kma s VAL 14 Ca 0.73 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2kma s VAL 14 Cb -0.29 -1.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 2kma s VAL 14 CO 0.51 0.48 -0.13 -0.54 -3.33 0.00 0.00 175.10 172.09 2kma s LYS 15 N 1.26 2.97 -0.32 1.54 -0.14 0.18 -4.93 119.74 120.32 2kma s LYS 15 Ca 0.01 -0.69 -0.13 0.00 -1.36 0.00 0.00 55.97 53.80 2kma s LYS 15 Cb -0.14 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2kma s LYS 15 CO -0.08 0.41 0.29 0.99 -0.76 0.00 0.00 175.35 176.20 2kma s THR 16 N -0.17 5.24 0.06 2.17 2.01 -1.26 0.74 115.64 124.42 2kma s THR 16 Ca -0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.11 2kma s THR 16 Cb -0.13 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2kma s THR 16 CO 0.03 0.04 -0.15 -0.04 -0.69 0.00 0.00 174.62 173.81 2kma s MET 17 N 1.87 0.91 -0.10 4.92 -1.94 -0.49 -4.99 119.30 119.49 2kma s MET 17 Ca 0.09 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 2kma s MET 17 Cb -0.17 -0.95 -0.02 0.00 2.01 0.00 0.00 34.83 35.70 2kma s MET 17 CO 0.11 0.22 -0.10 -0.65 -0.01 0.00 0.00 175.02 174.60 2kma s GLN 18 N -1.47 3.10 0.05 2.03 -0.21 -1.26 0.12 119.66 122.02 2kma s GLN 18 Ca 0.01 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.82 2kma s GLN 18 Cb -0.09 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.27 2kma s GLN 18 CO 0.02 0.42 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.42 2kma s PHE 19 N -0.17 1.15 0.28 0.91 0.08 -0.07 -4.95 117.98 115.21 2kma s PHE 19 Ca 0.01 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 2kma s PHE 19 Cb -0.13 -0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 41.55 2kma s PHE 19 CO 0.03 0.03 1.27 -1.21 -0.10 0.00 0.00 175.22 175.24 2kma s GLU 20 N -1.31 4.42 0.53 0.44 2.02 -1.26 -1.07 118.70 122.47 2kma s GLU 20 Ca -0.00 2.09 0.37 0.00 0.02 0.00 0.00 54.97 57.45 2kma s GLU 20 Cb -0.08 -3.13 1.54 0.00 0.10 0.00 0.00 34.13 32.55 2kma s GLU 20 CO 0.01 -0.14 1.77 -1.35 0.02 0.00 0.00 175.26 175.58 2kma h PRO 21 N 4.08 0.03 -0.47 0.39 0.10 -1.95 0.35 132.00 134.53 2kma h PRO 21 Ca -0.47 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 2kma h PRO 21 Cb 1.22 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.31 2kma h PRO 21 CO 0.69 0.02 0.00 -1.13 0.10 0.00 0.00 178.00 177.69 2kma n SER 22 N -4.20 4.08 -0.16 -2.05 3.41 -1.26 -2.60 113.62 110.84 2kma n SER 22 Ca 0.28 -2.49 -0.07 0.00 -0.26 0.00 0.00 58.87 56.33 2kma n SER 22 Cb 1.31 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 2kma n SER 22 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kma h THR 23 N 2.95 1.14 0.00 6.66 2.02 -0.65 -3.48 112.91 121.55 2kma h THR 23 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2kma h THR 23 Cb 1.27 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2kma h THR 23 CO 0.17 0.13 0.00 0.23 0.37 0.00 0.00 175.52 176.43 2kma n MET 24 N -4.73 0.00 -0.29 6.66 2.81 -1.26 -3.93 117.12 116.38 2kma n MET 24 Ca 0.02 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.01 2kma n MET 24 Cb 0.04 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 32.81 2kma n MET 24 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2kma h VAL 25 N 0.00 0.55 -0.56 2.03 2.07 -1.77 -0.12 116.25 118.44 2kma h VAL 25 Ca 0.00 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 2kma h VAL 25 Cb 0.00 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 2kma h VAL 25 CO 0.00 0.08 0.07 0.10 0.02 0.00 0.00 177.57 177.84 2kma h TYR 26 N 0.43 0.96 0.08 1.57 -0.00 -1.83 0.12 116.97 118.30 2kma h TYR 26 Ca 0.51 -0.12 -0.27 0.00 0.00 0.00 0.00 58.73 58.85 2kma h TYR 26 Cb 0.89 -0.27 0.03 0.00 0.00 0.00 0.00 36.73 37.38 2kma h TYR 26 CO -0.15 0.84 -1.10 0.22 -0.00 0.00 0.00 178.16 177.97 2kma h ASP 27 N 0.86 0.83 -0.21 0.10 3.58 -1.59 -3.13 116.42 116.87 2kma h ASP 27 Ca 0.17 -0.80 0.03 0.00 0.42 0.00 0.00 57.03 56.86 2kma h ASP 27 Cb 0.41 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2kma h ASP 27 CO 0.01 1.54 0.00 0.00 -2.88 0.00 0.00 179.24 177.92 2kma h ALA 28 N 0.30 0.18 -0.76 -0.78 0.00 -0.68 -2.36 119.26 115.16 2kma h ALA 28 Ca -0.16 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kma h ALA 28 Cb 1.78 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2kma h ALA 28 CO 0.21 -0.43 0.50 0.00 0.00 0.00 0.00 179.25 179.54 2kma h ARG 30 N 0.79 0.08 0.22 0.00 0.11 -1.38 -2.51 114.38 111.69 2kma h ARG 30 Ca 0.33 -0.09 -0.32 0.00 0.10 0.00 0.00 59.98 60.00 2kma h ARG 30 Cb 0.29 0.03 0.03 0.00 1.11 0.00 0.00 29.97 31.43 2kma h ARG 30 CO -0.12 0.90 -1.45 0.52 0.10 0.00 0.00 179.97 179.92 2kma h MET 31 N 0.04 0.47 -0.44 0.08 2.86 -0.99 -3.12 114.93 113.84 2kma h MET 31 Ca -0.03 -0.80 -0.06 0.00 -2.06 0.00 0.00 59.70 56.75 2kma h MET 31 Cb 1.51 0.30 -0.02 0.00 0.06 0.00 0.00 31.60 33.46 2kma h MET 31 CO 0.12 1.38 0.05 0.97 1.06 0.00 0.00 176.91 180.49 2kma h ILE 32 N 0.13 1.25 0.00 -1.22 2.10 -1.05 -1.61 117.51 117.11 2kma h ILE 32 Ca -0.23 -0.94 -0.02 0.00 1.08 0.00 0.00 64.86 64.75 2kma h ILE 32 Cb 2.12 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 38.85 2kma h ILE 32 CO 0.25 0.32 -0.08 0.03 -1.08 0.00 0.00 178.15 177.60 2kma h ARG 33 N 0.60 0.00 0.37 2.19 3.08 -1.58 0.11 114.38 119.14 2kma h ARG 33 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2kma h ARG 33 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2kma h ARG 33 CO 0.01 0.08 -0.18 1.49 -1.07 0.00 0.00 179.97 180.31 2kma h GLU 34 N 0.00 -0.47 0.02 0.04 4.57 -1.25 -3.38 114.58 114.11 2kma h GLU 34 Ca -0.00 0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.96 2kma h GLU 34 Cb 0.17 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2kma h GLU 34 CO 0.01 -0.32 -1.34 0.07 -1.18 0.00 0.00 179.01 176.26 2kma h ARG 35 N -1.06 0.05 -4.39 1.92 0.11 -1.40 -3.43 114.38 106.19 2kma h ARG 35 Ca -0.05 -0.09 -0.73 0.00 0.10 0.00 0.00 59.98 59.21 2kma h ARG 35 Cb 0.38 0.03 -0.24 0.00 1.11 0.00 0.00 29.97 31.25 2kma h ARG 35 CO 0.08 0.86 -0.39 0.42 0.10 0.00 0.00 179.97 181.04 2kma s ILE 36 N -2.65 4.97 -0.83 0.08 1.01 0.39 -4.92 121.20 119.25 2kma s ILE 36 Ca -0.03 -1.06 0.21 0.00 0.00 0.00 0.00 60.65 59.77 2kma s ILE 36 Cb 0.09 -3.94 0.19 0.00 0.01 0.00 0.00 42.46 38.81 2kma s ILE 36 CO 0.83 -0.50 1.64 -2.65 0.00 0.00 0.00 174.94 174.26 2kma n PRO 37 N 5.12 0.08 0.03 2.79 -0.02 -1.26 -2.23 135.00 139.51 2kma n PRO 37 Ca -0.12 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.75 2kma n PRO 37 Cb 0.44 -1.63 0.50 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.78 0.09 0.07 -0.52 -0.58 -1.26 -4.04 120.64 112.61 2kma n GLU 38 Ca 0.04 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 2kma n GLU 38 Cb 0.24 -1.59 -0.09 0.00 -0.57 0.00 0.00 31.44 29.43 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 2.84 -0.21 -0.29 0.62 0.00 -1.74 -3.34 119.26 117.15 2kma h ALA 39 Ca 0.00 -0.21 -0.71 0.00 0.00 0.00 0.00 54.91 53.99 2kma h ALA 39 Cb 0.58 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2kma h ALA 39 CO 0.00 -0.39 3.11 1.47 0.00 0.00 0.00 179.25 183.44 2kma n LEU 40 N -4.98 7.97 0.22 0.00 -0.00 -1.26 -4.60 117.00 114.36 2kma n LEU 40 Ca -0.09 -4.50 0.15 0.00 -0.00 0.00 0.00 56.01 51.57 2kma n LEU 40 Cb 0.25 -1.51 0.72 0.00 -0.00 0.00 0.00 43.42 42.88 2kma n LEU 40 CO 0.30 1.81 0.96 0.00 -0.00 0.00 0.00 177.39 180.46 2kma h ALA 41 N 5.17 1.00 -3.00 1.47 0.00 -1.85 -3.45 119.26 118.60 2kma h ALA 41 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 2kma h ALA 41 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kma h ALA 41 CO 1.70 0.00 0.00 0.41 0.00 0.00 0.00 179.25 181.36 2kma n GLY 42 N -0.49 4.05 3.62 0.00 0.00 -1.26 -5.10 105.19 106.00 2kma n GLY 42 Ca -0.00 -1.00 -0.47 0.00 0.00 0.00 0.00 46.02 44.56 2kma n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kma n PRO 43 N 0.00 2.03 0.25 1.61 -0.02 -1.26 -4.83 135.00 132.78 2kma n PRO 43 Ca 0.00 0.69 0.16 0.00 -2.02 0.00 0.00 63.50 62.32 2kma n PRO 43 Cb 0.00 -2.80 0.84 0.00 -0.02 0.00 0.00 33.50 31.52 2kma n PRO 43 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2kma h PRO 44 N 11.29 0.00 -0.15 0.52 0.13 -1.94 0.48 132.00 142.32 2kma h PRO 44 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 2kma h PRO 44 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kma h PRO 44 CO 0.96 0.00 -0.48 -0.91 -0.23 0.00 0.00 178.00 177.34 2kma h ASN 45 N 0.00 0.44 -0.38 1.44 2.35 -2.03 -2.89 115.58 114.51 2kma h ASN 45 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2kma h ASN 45 Cb 0.10 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2kma h ASN 45 CO 0.00 0.85 0.00 0.47 -1.65 0.00 0.00 177.43 177.10 2kma n ASP 46 N -3.98 2.57 -4.38 5.81 8.00 0.16 -4.84 116.55 119.90 2kma n ASP 46 Ca -0.02 -2.14 -0.34 0.00 0.71 0.00 0.00 54.79 53.00 2kma n ASP 46 Cb 0.55 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 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 2.91 0.14 1.24 0.40 -1.09 0.96 117.98 120.94 2kma s PHE 47 Ca 0.28 -0.68 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2kma s PHE 47 Cb 0.17 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2kma s PHE 47 CO 0.16 -0.29 0.12 0.41 0.70 0.00 0.00 175.22 176.32 2kma n GLY 48 N 3.95 3.55 3.48 4.36 0.00 0.39 -4.87 105.19 116.05 2kma n GLY 48 Ca -0.18 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 4.16 -0.20 0.99 1.43 -1.26 -1.70 118.68 122.10 2kma s LEU 49 Ca 0.17 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2kma s LEU 49 Cb 0.01 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2kma s LEU 49 CO 0.12 -0.18 0.08 0.12 0.23 0.00 0.00 176.35 176.72 2kma s PHE 50 N 1.66 3.22 -0.35 0.29 5.36 0.78 0.25 117.98 129.19 2kma s PHE 50 Ca 0.05 -0.01 -0.18 0.00 -0.96 0.00 0.00 56.93 55.83 2kma s PHE 50 Cb -0.17 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.37 2kma s PHE 50 CO 0.08 0.03 0.53 -1.17 -1.46 0.00 0.00 175.22 173.23 2kma s LEU 51 N 0.74 4.33 -0.92 6.12 1.98 0.39 0.67 118.68 131.99 2kma s LEU 51 Ca 0.04 0.01 -0.23 0.00 -2.89 0.00 0.00 54.13 51.06 2kma s LEU 51 Cb -0.13 -2.62 0.06 0.00 0.66 0.00 0.00 46.19 44.16 2kma s LEU 51 CO 0.02 -0.50 1.33 -0.44 -1.89 0.00 0.00 176.35 174.87 2kma s SER 52 N 1.76 6.42 -0.08 3.68 0.01 -1.05 -2.88 113.70 121.56 2kma s SER 52 Ca 0.20 -1.29 -0.27 0.00 1.31 0.00 0.00 55.95 55.90 2kma s SER 52 Cb -0.15 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.32 2kma s SER 52 CO 0.13 -1.51 0.99 -0.78 0.41 0.00 0.00 173.24 172.48 2kma h ASP 53 N 9.69 -0.02 0.00 2.44 3.58 -1.83 -3.41 116.42 126.87 2kma h ASP 53 Ca 0.05 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 56.80 2kma h ASP 53 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2kma h ASP 53 CO 1.33 0.71 0.00 -0.67 -2.88 0.00 0.00 179.24 177.73 2kma n ASP 54 N -4.75 0.00 -3.86 2.28 2.03 -1.26 -5.05 116.55 105.94 2kma n ASP 54 Ca -0.09 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.11 2kma n ASP 54 Cb 0.35 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.99 -0.01 0.43 1.67 2.15 -1.26 -5.03 116.67 113.62 2kma s ASP 55 Ca 0.00 -0.11 0.26 0.00 0.43 0.00 0.00 52.55 53.13 2kma s ASP 55 Cb 0.00 0.23 1.30 0.00 -0.30 0.00 0.00 42.92 44.15 2kma s ASP 55 CO 0.00 -0.32 1.70 1.55 -0.17 0.00 0.00 175.17 177.93 2kma h PRO 56 N 4.54 0.21 0.00 4.34 0.13 -1.95 0.41 132.00 139.68 2kma h PRO 56 Ca -0.30 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 2kma h PRO 56 Cb 1.19 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2kma h PRO 56 CO 0.40 0.14 -0.55 0.87 -0.23 0.00 0.00 178.00 178.64 2kma h LYS 57 N 0.22 0.00 -0.00 0.86 1.79 -1.97 -2.80 116.57 114.66 2kma h LYS 57 Ca 0.70 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.17 2kma h LYS 57 Cb 2.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 2kma h LYS 57 CO -0.32 0.55 -0.55 1.63 -1.08 0.00 0.00 179.45 179.67 2kma n LYS 58 N -3.86 0.30 -2.01 3.15 5.02 0.11 -4.87 118.16 116.00 2kma n LYS 58 Ca -0.01 -0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 55.66 2kma n LYS 58 Cb 0.56 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.84 2.50 0.02 0.72 0.00 0.52 -4.54 107.32 103.71 2kma s GLY 59 Ca 0.14 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.24 2kma s GLY 59 CO 0.68 2.21 -0.13 -0.26 0.00 0.00 0.00 173.10 175.60 2kma s ILE 60 N -0.32 1.04 -0.22 0.90 -4.36 -1.14 -4.99 121.20 112.11 2kma s ILE 60 Ca 0.57 -0.84 -0.19 0.00 -0.26 0.00 0.00 60.65 59.93 2kma s ILE 60 Cb -0.42 -0.93 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 2kma s ILE 60 CO 0.47 0.09 0.55 0.26 0.24 0.00 0.00 174.94 176.55 2kma s TRP 61 N -0.67 3.34 -0.41 1.37 0.52 -1.26 -0.46 118.94 121.36 2kma s TRP 61 Ca 0.02 0.78 -0.26 0.00 0.02 0.00 0.00 56.10 56.67 2kma s TRP 61 Cb -0.07 -2.73 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2kma s TRP 61 CO 0.01 -0.18 0.92 -0.51 0.02 0.00 0.00 176.95 177.21 2kma s LEU 62 N 1.93 3.99 0.54 2.99 1.43 0.14 -4.97 118.68 124.73 2kma s LEU 62 Ca 0.25 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 2kma s LEU 62 Cb -0.16 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2kma s LEU 62 CO 0.09 -0.95 0.89 -1.83 0.23 0.00 0.00 176.35 174.78 2kma s GLU 63 N 3.62 3.57 0.00 1.70 -1.05 -1.26 -4.18 118.70 121.11 2kma s GLU 63 Ca 0.38 0.44 0.24 0.00 -0.15 0.00 0.00 54.97 55.87 2kma s GLU 63 Cb -0.11 -2.25 1.03 0.00 -0.44 0.00 0.00 34.13 32.35 2kma s GLU 63 CO 0.23 -0.35 1.77 0.00 0.95 0.00 0.00 175.26 177.85 2kma n ALA 64 N -2.44 2.10 0.38 -0.84 0.00 -1.26 -3.12 120.51 115.34 2kma n ALA 64 Ca 0.03 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2kma n ALA 64 Cb 0.55 -1.39 0.48 0.00 0.00 0.00 0.00 19.45 19.09 2kma n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kma h GLY 65 N 4.10 0.00 -2.50 0.00 0.00 -2.01 -3.42 103.07 99.25 2kma h GLY 65 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2kma h GLY 65 CO 0.00 0.00 -0.72 -1.59 0.00 0.00 0.00 176.54 174.23 2kma s LYS 66 N -3.36 1.36 0.51 4.80 0.00 -1.18 -5.11 119.74 116.76 2kma s LYS 66 Ca 0.05 -1.62 -0.06 0.00 0.00 0.00 0.00 55.97 54.33 2kma s LYS 66 Cb 0.09 -1.08 0.11 0.00 0.00 0.00 0.00 37.83 36.95 2kma s LYS 66 CO 0.52 0.14 0.70 0.00 0.00 0.00 0.00 175.35 176.71 2kma n ALA 67 N -0.41 -0.54 -0.09 0.59 0.00 -1.26 -3.81 120.51 114.99 2kma n ALA 67 Ca -0.07 -1.04 -0.17 0.00 0.00 0.00 0.00 53.44 52.16 2kma n ALA 67 Cb 0.61 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.98 2kma n ALA 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kma h LEU 68 N 0.00 0.00 -0.11 0.00 3.38 -1.86 -3.34 115.31 113.39 2kma h LEU 68 Ca -0.23 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2kma h LEU 68 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2kma h LEU 68 CO 0.18 1.20 0.00 -0.67 0.09 0.00 0.00 178.44 179.24 2kma n ASP 69 N -4.54 0.12 -0.32 -0.43 2.03 -1.07 -1.53 116.55 110.81 2kma n ASP 69 Ca -0.20 0.53 0.06 0.00 0.52 0.00 0.00 54.79 55.70 2kma n ASP 69 Cb 0.54 -0.55 0.25 0.00 -0.72 0.00 0.00 41.12 40.64 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kma h TYR 70 N 0.00 1.06 -0.01 -0.67 3.20 -1.77 -3.41 116.97 115.36 2kma h TYR 70 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kma h TYR 70 Cb 0.30 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2kma h TYR 70 CO 0.00 0.50 0.00 0.66 -1.64 0.00 0.00 178.16 177.68 2kma n TYR 71 N -4.53 0.00 -1.47 -3.82 4.02 -0.58 -4.97 117.16 105.80 2kma n TYR 71 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.87 2kma n TYR 71 Cb 0.27 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.74 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kma n MET 72 N 0.00 2.34 -3.65 -0.72 2.81 -1.26 -5.00 117.12 111.64 2kma n MET 72 Ca 0.00 -3.32 -0.37 0.00 -1.81 0.00 0.00 57.70 52.21 2kma n MET 72 Cb 0.00 -2.05 -0.06 0.00 -0.71 0.00 0.00 33.22 30.40 2kma n MET 72 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kma s LEU 73 N -3.42 4.42 0.00 4.03 1.43 -1.26 -5.04 118.68 118.84 2kma s LEU 73 Ca 0.52 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 2kma s LEU 73 Cb 0.44 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2kma s LEU 73 CO 0.03 0.30 0.00 0.54 0.23 0.00 0.00 176.35 177.45 2kma n ARG 74 N 1.56 0.00 -2.50 1.70 1.74 -1.26 -4.39 116.66 113.51 2kma n ARG 74 Ca -0.14 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 2kma n ARG 74 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.94 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2kma s ASN 75 N 1.68 6.23 0.00 0.55 0.02 -1.26 -3.37 114.94 118.79 2kma s ASN 75 Ca 0.00 -0.03 0.00 0.00 -1.02 0.00 0.00 52.86 51.81 2kma s ASN 75 Cb 0.00 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.72 2kma s ASN 75 CO 0.00 -1.69 0.00 0.61 0.02 0.00 0.00 177.10 176.04 2kma n GLY 76 N 5.24 1.51 3.86 0.66 0.00 -0.10 -4.86 105.19 111.50 2kma n GLY 76 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2kma n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kma s ASP 77 N -1.84 6.46 -0.08 1.61 1.01 -1.22 -4.93 116.67 117.68 2kma s ASP 77 Ca 0.00 0.55 -0.23 0.00 0.71 0.00 0.00 52.55 53.58 2kma s ASP 77 Cb 0.00 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 2kma s ASP 77 CO 0.00 0.38 0.68 -0.89 0.21 0.00 0.00 175.17 175.55 2kma s THR 78 N -0.93 5.05 -0.18 -1.27 2.01 -1.26 -1.41 115.64 117.65 2kma s THR 78 Ca 0.16 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.55 2kma s THR 78 Cb -0.13 -4.02 0.05 0.00 0.01 0.00 0.00 72.50 68.41 2kma s THR 78 CO 0.05 0.24 -0.02 -0.32 -0.69 0.00 0.00 174.62 173.88 2kma s MET 79 N 0.89 1.21 -0.06 4.92 1.75 0.17 -2.54 119.30 125.64 2kma s MET 79 Ca 0.36 -0.57 -0.30 0.00 -1.25 0.00 0.00 55.69 53.93 2kma s MET 79 Cb -0.17 -2.12 -0.03 0.00 2.84 0.00 0.00 34.83 35.35 2kma s MET 79 CO 0.17 -0.52 1.13 -2.00 -0.65 0.00 0.00 175.02 173.15 2kma s GLU 80 N 1.66 4.39 -0.51 4.11 2.12 0.21 -2.59 118.70 128.08 2kma s GLU 80 Ca -0.01 1.58 -0.16 0.00 0.36 0.00 0.00 54.97 56.74 2kma s GLU 80 Cb -0.16 -3.54 0.10 0.00 0.26 0.00 0.00 34.13 30.79 2kma s GLU 80 CO -0.07 -0.38 0.48 -0.47 -0.54 0.00 0.00 175.26 174.28 2kma s TYR 81 N 2.03 3.22 0.30 5.30 5.04 -0.68 -0.16 117.35 132.41 2kma s TYR 81 Ca 0.54 -1.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.11 2kma s TYR 81 Cb -0.23 -3.55 -0.04 0.00 0.35 0.00 0.00 41.96 38.49 2kma s TYR 81 CO 0.21 -0.95 0.14 -0.98 -1.34 0.00 0.00 175.55 172.64 2kma s ARG 82 N 1.74 1.58 0.14 4.97 1.70 -0.69 -4.47 118.95 123.92 2kma s ARG 82 Ca 0.05 -1.90 -0.31 0.00 -0.47 0.00 0.00 55.73 53.10 2kma s ARG 82 Cb -0.27 -0.19 -0.08 0.00 -0.57 0.00 0.00 34.95 33.85 2kma s ARG 82 CO 0.05 -0.41 1.32 0.21 -1.08 0.00 0.00 175.30 175.39 2kma s LYS 83 N -3.86 4.37 0.50 3.89 2.20 -1.26 -0.46 119.74 125.12 2kma s LYS 83 Ca 0.35 2.01 0.24 0.00 -0.36 0.00 0.00 55.97 58.21 2kma s LYS 83 Cb 0.06 -3.25 1.32 0.00 -1.51 0.00 0.00 37.83 34.44 2kma s LYS 83 CO 0.16 -0.33 1.94 0.87 -0.36 0.00 0.00 175.35 177.63 2kma h LYS 84 N 6.26 0.13 -6.16 4.03 1.79 0.26 -3.42 116.57 119.46 2kma h LYS 84 Ca -0.43 -0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 57.51 2kma h LYS 84 Cb 1.21 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 2kma h LYS 84 CO 0.82 0.08 -0.50 -0.65 -1.08 0.00 0.00 179.45 178.13 2kma s GLN 85 N -5.13 3.18 0.05 3.15 -0.21 -1.26 0.06 119.66 119.50 2kma s GLN 85 Ca -0.06 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.50 2kma s GLN 85 Cb 0.21 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 2kma s GLN 85 CO 0.76 0.46 -0.03 -0.98 -2.12 0.00 0.00 175.29 173.38 2kma s ARG 86 N -3.53 0.57 -0.28 2.91 1.04 -0.20 -4.80 118.95 114.66 2kma s ARG 86 Ca 0.33 -1.13 -0.28 0.00 -1.04 0.00 0.00 55.73 53.61 2kma s ARG 86 Cb -0.10 0.19 -0.03 0.00 -2.04 0.00 0.00 34.95 32.98 2kma s ARG 86 CO 0.26 -0.10 1.97 -2.14 -0.04 0.00 0.00 175.30 175.26 2kma s PRO 87 N -3.55 3.27 -0.19 3.89 0.02 -1.26 -1.78 135.00 135.40 2kma s PRO 87 Ca 0.04 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 62.68 2kma s PRO 87 Cb 0.05 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.27 2kma s PRO 87 CO -0.09 -1.94 0.07 -0.51 -0.33 0.00 0.00 177.00 174.20 2kma s LEU 88 N 7.43 3.80 -0.23 -5.54 1.02 0.36 -4.39 118.68 121.12 2kma s LEU 88 Ca 0.89 0.06 -0.14 0.00 0.02 0.00 0.00 54.13 54.95 2kma s LEU 88 Cb -0.27 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 2kma s LEU 88 CO 0.34 0.15 0.33 -0.54 0.02 0.00 0.00 176.35 176.65 2kma s LYS 89 N 0.52 4.09 -0.04 1.70 1.02 -1.26 -0.82 119.74 124.96 2kma s LYS 89 Ca 0.03 0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.07 2kma s LYS 89 Cb -0.13 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 2kma s LYS 89 CO 0.01 -0.09 -0.12 0.42 -0.92 0.00 0.00 175.35 174.65 2kma s ILE 90 N 1.49 1.00 -0.20 2.17 -1.09 0.90 -0.19 121.20 125.27 2kma s ILE 90 Ca 0.15 -0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 58.05 2kma s ILE 90 Cb -0.15 -0.89 -0.02 0.00 -1.58 0.00 0.00 42.46 39.82 2kma s ILE 90 CO 0.08 0.31 0.00 -0.60 -1.23 0.00 0.00 174.94 173.50 2kma s ARG 91 N 0.27 3.62 0.76 2.79 3.52 -0.57 0.05 118.95 129.39 2kma s ARG 91 Ca -0.06 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 2kma s ARG 91 Cb -0.11 -3.09 0.08 0.00 -1.56 0.00 0.00 34.95 30.27 2kma s ARG 91 CO 0.01 0.01 1.10 -1.64 -0.81 0.00 0.00 175.30 173.97 2kma s MET 92 N 1.01 1.99 0.34 5.12 -1.94 0.24 -1.11 119.30 124.95 2kma s MET 92 Ca 0.02 -0.15 0.04 0.00 -1.71 0.00 0.00 55.69 53.89 2kma s MET 92 Cb -0.14 -2.07 0.68 0.00 2.01 0.00 0.00 34.83 35.30 2kma s MET 92 CO 0.02 -1.46 1.93 -0.07 -0.01 0.00 0.00 175.02 175.43 2kma h LEU 93 N -0.84 0.75 -0.07 -0.03 -0.00 -1.87 0.37 115.31 113.61 2kma h LEU 93 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2kma h LEU 93 Cb 1.31 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2kma h LEU 93 CO 0.60 0.47 0.00 -0.90 -0.00 0.00 0.00 178.44 178.62 2kma n ASP 94 N -4.49 0.13 0.00 -0.43 5.75 -1.26 -4.85 116.55 111.40 2kma n ASP 94 Ca 0.12 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.43 2kma n ASP 94 Cb 0.24 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 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 0.63 1.08 3.74 6.12 0.00 0.13 -5.08 105.19 111.81 2kma n GLY 95 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 5.27 -0.09 2.61 2.01 -1.22 -4.77 115.64 117.44 2kma s THR 96 Ca 0.00 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 2kma s THR 96 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2kma s THR 96 CO 0.00 0.40 -0.00 0.54 -0.69 0.00 0.00 174.62 174.87 2kma s VAL 97 N 0.31 4.28 0.06 3.82 0.11 -1.26 0.79 120.40 128.52 2kma s VAL 97 Ca 0.19 -0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2kma s VAL 97 Cb -0.14 -2.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.87 2kma s VAL 97 CO 0.06 0.59 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.79 2kma s LYS 98 N -0.76 0.66 -0.19 1.54 -2.85 0.11 -4.96 119.74 113.28 2kma s LYS 98 Ca 0.12 -1.22 -0.03 0.00 -1.00 0.00 0.00 55.97 53.84 2kma s LYS 98 Cb -0.12 0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 2kma s LYS 98 CO 0.02 -0.08 -0.05 0.99 0.10 0.00 0.00 175.35 176.33 2kma s THR 99 N -3.67 3.44 0.06 3.79 2.01 -1.26 -0.07 115.64 119.94 2kma s THR 99 Ca 0.07 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2kma s THR 99 Cb 0.06 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 2kma s THR 99 CO -0.08 0.45 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.64 2kma s ILE 100 N 1.09 1.22 -0.42 1.82 -1.16 -0.00 -4.91 121.20 118.84 2kma s ILE 100 Ca 0.01 -1.23 -0.23 0.00 -0.51 0.00 0.00 60.65 58.69 2kma s ILE 100 Cb -0.15 -1.13 0.02 0.00 0.61 0.00 0.00 42.46 41.81 2kma s ILE 100 CO -0.00 -0.10 0.80 -0.04 -2.81 0.00 0.00 174.94 172.78 2kma s MET 101 N -1.53 3.54 -0.20 3.50 -1.94 -1.26 -0.49 119.30 120.93 2kma s MET 101 Ca 0.01 0.07 -0.08 0.00 -1.71 0.00 0.00 55.69 53.98 2kma s MET 101 Cb -0.09 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 2kma s MET 101 CO 0.02 -1.03 0.08 0.08 -0.01 0.00 0.00 175.02 174.16 2kma s VAL 102 N 3.28 4.85 -0.10 -6.03 1.01 -0.73 -4.71 120.40 117.96 2kma s VAL 102 Ca 0.31 -0.01 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 2kma s VAL 102 Cb -0.12 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 2kma s VAL 102 CO 0.21 0.42 1.95 0.47 0.00 0.00 0.00 175.10 178.15 2kma n ASP 103 N 3.87 3.48 0.10 3.32 9.92 -1.26 -1.03 116.55 134.96 2kma n ASP 103 Ca -0.16 0.87 0.13 0.00 -0.53 0.00 0.00 54.79 55.09 2kma n ASP 103 Cb 0.52 -1.40 0.43 0.00 -0.64 0.00 0.00 41.12 40.03 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kma n ASP 104 N 7.40 0.74 -0.01 -2.24 2.03 0.11 -3.13 116.55 121.45 2kma n ASP 104 Ca 0.24 0.59 0.08 0.00 0.52 0.00 0.00 54.79 56.23 2kma n ASP 104 Cb 0.32 -0.78 0.50 0.00 -0.72 0.00 0.00 41.12 40.44 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 -2.22 0.04 -4.37 1.67 3.41 -1.26 -4.68 113.62 106.21 2kma n SER 105 Ca 0.05 -1.48 -0.18 0.00 -0.26 0.00 0.00 58.87 56.99 2kma n SER 105 Cb 0.38 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.99 1.49 0.29 4.33 0.00 -1.18 -5.08 119.74 117.60 2kma s LYS 106 Ca 0.25 -1.81 -0.03 0.00 0.00 0.00 0.00 55.97 54.39 2kma s LYS 106 Cb 0.12 -0.54 0.06 0.00 0.00 0.00 0.00 37.83 37.47 2kma s LYS 106 CO 0.20 -0.23 0.40 0.25 0.00 0.00 0.00 175.35 175.97 2kma n THR 107 N -0.54 0.00 0.06 3.79 -2.24 -1.26 -4.70 114.28 109.38 2kma n THR 107 Ca -0.02 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 2kma n THR 107 Cb 0.66 -1.50 -0.14 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.84 1.46 -0.56 2.28 2.07 -1.74 -0.89 116.25 118.03 2kma h VAL 108 Ca -0.13 -2.47 0.11 0.00 0.82 0.00 0.00 66.70 65.03 2kma h VAL 108 Cb 0.42 3.05 -0.09 0.00 -1.52 0.00 0.00 31.29 33.15 2kma h VAL 108 CO 0.11 0.71 0.06 0.74 0.02 0.00 0.00 177.57 179.22 2kma h THR 109 N -0.22 0.61 -0.68 2.57 2.02 -1.95 0.36 112.91 115.63 2kma h THR 109 Ca -0.15 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2kma h THR 109 Cb 1.67 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2kma h THR 109 CO 0.17 0.03 0.18 -0.78 0.37 0.00 0.00 175.52 175.49 2kma h ASP 110 N 0.18 1.01 -0.25 4.18 1.82 -1.90 -2.38 116.42 119.09 2kma h ASP 110 Ca 0.29 -0.23 0.06 0.00 -0.39 0.00 0.00 57.03 56.76 2kma h ASP 110 Cb 0.44 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.13 2kma h ASP 110 CO -0.43 0.98 -0.13 -0.03 -1.61 0.00 0.00 179.24 178.02 2kma h MET 111 N 1.00 -0.09 -0.35 0.28 4.05 0.09 -1.73 114.93 118.18 2kma h MET 111 Ca 0.21 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.58 2kma h MET 111 Cb 0.35 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2kma h MET 111 CO 0.00 -0.06 -0.03 1.25 0.23 0.00 0.00 176.91 178.30 2kma h LEU 112 N -0.10 0.53 -0.55 3.39 5.85 -0.13 0.15 115.31 124.46 2kma h LEU 112 Ca 0.13 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2kma h LEU 112 Cb 0.30 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2kma h LEU 112 CO -0.31 0.62 0.25 -0.03 -0.34 0.00 0.00 178.44 178.63 2kma h MET 113 N 0.53 0.46 -0.48 1.25 4.05 -0.96 0.28 114.93 120.06 2kma h MET 113 Ca 0.11 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2kma h MET 113 Cb 0.39 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2kma h MET 113 CO 0.02 0.30 0.21 1.15 0.23 0.00 0.00 176.91 178.82 2kma h THR 114 N 0.47 1.20 0.00 -0.77 2.02 -0.20 -2.87 112.91 112.77 2kma h THR 114 Ca 0.25 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kma h THR 114 Cb 0.22 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2kma h THR 114 CO -0.21 0.23 -0.01 0.40 0.37 0.00 0.00 175.52 176.30 2kma h ILE 115 N 0.64 1.67 0.00 3.11 2.04 -0.19 -3.24 117.51 121.54 2kma h ILE 115 Ca 0.16 -1.99 -0.04 0.00 1.00 0.00 0.00 64.86 63.99 2kma h ILE 115 Cb 0.17 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 2kma h ILE 115 CO -0.02 0.52 -0.20 0.00 0.00 0.00 0.00 178.15 178.45 2kma h ALA 117 N 1.80 1.22 -0.16 0.00 0.00 -1.56 0.89 119.26 121.45 2kma h ALA 117 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2kma h ALA 117 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kma h ALA 117 CO 0.03 0.26 -0.52 0.00 0.00 0.00 0.00 179.25 179.02 2kma h ARG 118 N 0.00 0.45 0.12 0.00 2.47 -1.20 -3.15 114.38 113.07 2kma h ARG 118 Ca -0.00 -0.27 -0.28 0.00 -1.26 0.00 0.00 59.98 58.17 2kma h ARG 118 Cb 0.52 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2kma h ARG 118 CO 0.03 0.86 -1.31 0.82 0.56 0.00 0.00 179.97 180.93 2kma h ILE 119 N 0.35 1.42 0.00 2.04 1.08 -1.49 -3.48 117.51 117.43 2kma h ILE 119 Ca 0.01 -3.01 0.00 0.00 -0.39 0.00 0.00 64.86 61.47 2kma h ILE 119 Cb 1.03 2.90 0.00 0.00 -3.07 0.00 0.00 36.82 37.68 2kma h ILE 119 CO 0.09 0.87 0.00 0.61 -0.69 0.00 0.00 178.15 179.04 2kma n GLY 120 N 1.56 1.80 3.66 5.37 0.00 -0.60 -5.11 105.19 111.88 2kma n GLY 120 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2kma n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kma s ILE 121 N -2.00 5.27 -0.14 -0.61 1.01 0.21 -4.98 121.20 119.96 2kma s ILE 121 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 2kma s ILE 121 Cb 0.00 -3.62 -0.25 0.00 0.01 0.00 0.00 42.46 38.60 2kma s ILE 121 CO 0.00 0.29 0.40 0.74 0.00 0.00 0.00 174.94 176.37 2kma h THR 122 N 5.04 0.87 -2.39 2.92 2.02 -1.97 -3.32 112.91 116.08 2kma h THR 122 Ca -0.37 -2.32 -0.62 0.00 0.77 0.00 0.00 66.41 63.88 2kma h THR 122 Cb 1.17 2.52 -0.13 0.00 -1.74 0.00 0.00 68.15 69.96 2kma h THR 122 CO 0.69 0.66 0.81 0.21 0.37 0.00 0.00 175.52 178.25 2kma s ASN 123 N -6.98 6.27 0.00 4.18 2.47 -1.26 -4.79 114.94 114.84 2kma s ASN 123 Ca -0.23 -1.08 0.19 0.00 0.42 0.00 0.00 52.86 52.16 2kma s ASN 123 Cb 0.05 -2.46 -0.01 0.00 -1.45 0.00 0.00 41.25 37.38 2kma s ASN 123 CO 0.72 -1.48 0.94 0.00 -3.72 0.00 0.00 177.10 173.56 2kma n HIS 124 N 8.04 0.00 0.47 0.43 1.44 -1.26 -4.24 115.22 120.10 2kma n HIS 124 Ca 0.06 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.90 2kma n HIS 124 Cb 0.47 0.00 0.41 0.00 0.12 0.00 0.00 29.99 30.99 2kma n HIS 124 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2kma h ASP 125 N 1.99 0.00 -0.27 4.39 3.58 -1.97 -2.96 116.42 121.18 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kma h ASP 125 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2kma h ASP 125 CO 0.00 0.00 0.00 -1.84 -2.88 0.00 0.00 179.24 174.52 2kma n GLU 126 N -2.48 1.99 -4.26 0.28 0.28 -1.26 -4.83 120.64 110.36 2kma n GLU 126 Ca 0.04 -1.13 -0.22 0.00 -0.16 0.00 0.00 57.16 55.69 2kma n GLU 126 Cb 0.39 -1.43 -0.12 0.00 1.43 0.00 0.00 31.44 31.71 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2kma s TYR 127 N -1.64 1.62 0.51 -1.84 2.02 -1.12 0.48 117.35 117.39 2kma s TYR 127 Ca 0.20 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 2kma s TYR 127 Cb 0.12 -0.89 0.03 0.00 -0.40 0.00 0.00 41.96 40.82 2kma s TYR 127 CO 0.11 0.17 0.21 0.43 -1.57 0.00 0.00 175.55 174.90 2kma n SER 128 N 1.08 3.01 -4.32 2.29 7.64 0.32 -4.74 113.62 118.91 2kma n SER 128 Ca -0.19 -2.98 -0.30 0.00 1.01 0.00 0.00 58.87 56.40 2kma n SER 128 Cb 0.54 0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.73 2kma n SER 128 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kma s LEU 129 N 0.00 2.10 -0.10 -3.43 1.98 -1.24 -2.78 118.68 115.21 2kma s LEU 129 Ca 0.16 -0.52 -0.03 0.00 -2.89 0.00 0.00 54.13 50.85 2kma s LEU 129 Cb -0.01 -1.29 0.04 0.00 0.66 0.00 0.00 46.19 45.59 2kma s LEU 129 CO 0.10 0.28 0.05 0.54 -1.89 0.00 0.00 176.35 175.44 2kma s VAL 130 N -0.69 0.10 -0.53 1.68 0.11 -0.92 0.76 120.40 120.91 2kma s VAL 130 Ca 0.11 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 2kma s VAL 130 Cb -0.10 -0.47 0.09 0.00 -1.53 0.00 0.00 36.38 34.38 2kma s VAL 130 CO 0.00 0.03 0.54 -0.13 -3.33 0.00 0.00 175.10 172.21 2kma s ARG 131 N 2.07 3.03 -0.60 1.54 0.52 0.15 -0.22 118.95 125.45 2kma s ARG 131 Ca 0.03 -1.35 -0.25 0.00 -0.52 0.00 0.00 55.73 53.64 2kma s ARG 131 Cb -0.14 -4.20 0.04 0.00 0.52 0.00 0.00 34.95 31.17 2kma s ARG 131 CO -0.06 -1.27 1.04 -1.21 0.02 0.00 0.00 175.30 173.82 2kma s GLU 132 N 2.07 3.32 0.21 3.54 2.02 -0.97 -3.36 118.70 125.54 2kma s GLU 132 Ca 0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 2kma s GLU 132 Cb -0.25 -4.09 0.04 0.00 0.10 0.00 0.00 34.13 29.94 2kma s GLU 132 CO 0.07 -1.66 0.29 1.28 0.02 0.00 0.00 175.26 175.26 2kma n LEU 133 N 7.94 0.00 -0.02 1.80 4.77 -1.21 -3.55 117.00 126.73 2kma n LEU 133 Ca 0.02 -0.52 0.02 0.00 -0.03 0.00 0.00 56.01 55.51 2kma n LEU 133 Cb 0.48 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2kma n LEU 133 CO 0.66 -0.67 0.51 1.15 -1.33 0.00 0.00 177.39 177.72 2kma n MET 134 N -1.57 2.54 -1.86 3.23 0.00 -1.26 -4.89 117.12 113.31 2kma n MET 134 Ca 0.04 -1.74 -0.42 0.00 0.00 0.00 0.00 57.70 55.59 2kma n MET 134 Cb 0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 33.22 32.24 2kma n MET 134 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2kma s GLU 135 N -1.42 4.18 0.26 3.17 0.41 -1.26 -4.89 118.70 119.15 2kma s GLU 135 Ca 0.07 2.45 0.15 0.00 -0.41 0.00 0.00 54.97 57.24 2kma s GLU 135 Cb 0.07 -3.14 0.05 0.00 -1.78 0.00 0.00 34.13 29.32 2kma s GLU 135 CO 0.01 -0.66 1.39 1.05 -0.49 0.00 0.00 175.26 176.56 2kma h GLU 136 N 6.84 0.00 0.00 1.61 4.11 -1.99 -3.15 114.58 122.00 2kma h GLU 136 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kma h GLU 136 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kma h GLU 136 CO 0.93 0.48 0.00 1.63 0.07 0.00 0.00 179.01 182.12 2kma n LYS 137 N -3.19 0.00 0.09 1.06 5.02 -1.26 -4.73 118.16 115.14 2kma n LYS 137 Ca 0.01 0.40 -0.04 0.00 -2.02 0.00 0.00 58.31 56.66 2kma n LYS 137 Cb 0.74 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.84 2kma n LYS 137 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kma h LYS 138 N 0.00 -0.24 -5.57 1.97 3.64 -1.98 -3.49 116.57 110.90 2kma h LYS 138 Ca 0.00 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2kma h LYS 138 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2kma h LYS 138 CO 0.00 -0.16 -0.54 -3.47 -2.27 0.00 0.00 179.45 173.01 2kma n ASP 169 N -3.40 -7.41 -4.06 4.20 2.03 -1.19 -5.03 116.55 101.69 2kma n ASP 169 Ca -0.03 0.24 -0.09 0.00 0.52 0.00 0.00 54.79 55.43 2kma n ASP 169 Cb 0.10 -4.63 -0.09 0.00 -0.72 0.00 0.00 41.12 35.78 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 -2.78 0.99 0.29 -0.67 -6.30 -1.26 -5.02 118.70 103.95 2kma s GLU 170 Ca 0.21 -1.30 0.15 0.00 -2.50 0.00 0.00 54.97 51.54 2kma s GLU 170 Cb -0.05 0.30 0.14 0.00 0.00 0.00 0.00 34.13 34.52 2kma s GLU 170 CO 0.79 -0.31 1.48 -0.07 0.02 0.00 0.00 175.26 177.16 2kma h LEU 171 N 2.75 0.00 -3.24 2.70 3.38 -1.97 -3.19 115.31 115.74 2kma h LEU 171 Ca -0.34 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.33 2kma h LEU 171 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kma h LEU 171 CO 0.55 0.50 -0.77 0.59 0.09 0.00 0.00 178.44 179.40 2kma n ASN 172 N -3.26 -5.97 -4.49 -0.43 3.02 -1.21 -0.38 115.26 102.54 2kma n ASN 172 Ca 0.02 -0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 53.63 2kma n ASN 172 Cb 0.71 -2.94 -0.03 0.00 -0.61 0.00 0.00 39.78 36.91 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 -2.76 2.87 0.06 3.10 0.52 -1.26 0.33 118.94 121.79 2kma s TRP 173 Ca 0.07 -1.11 -0.33 0.00 0.02 0.00 0.00 56.10 54.76 2kma s TRP 173 Cb -0.01 -4.43 -0.11 0.00 -1.15 0.00 0.00 33.47 27.77 2kma s TRP 173 CO 0.84 -1.66 1.81 1.28 0.02 0.00 0.00 176.95 179.24 2kma n LEU 174 N 7.48 3.69 0.00 2.99 4.77 0.23 -4.82 117.00 131.34 2kma n LEU 174 Ca 0.24 0.99 0.05 0.00 -0.03 0.00 0.00 56.01 57.26 2kma n LEU 174 Cb 0.49 -1.47 0.27 0.00 -2.33 0.00 0.00 43.42 40.39 2kma n LEU 174 CO 0.57 0.02 0.51 0.47 -1.33 0.00 0.00 177.39 177.63 2kma n ASP 175 N 5.69 0.00 -0.48 -1.43 9.92 -1.26 -3.62 116.55 125.37 2kma n ASP 175 Ca 0.19 -0.87 -0.06 0.00 -0.53 0.00 0.00 54.79 53.53 2kma n ASP 175 Cb 0.34 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kma n HIS 176 N -0.75 0.00 -2.16 1.24 8.25 -1.26 -4.81 115.22 115.73 2kma n HIS 176 Ca 0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 2kma n HIS 176 Cb 0.03 -1.70 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 -1.13 0.69 3.32 -1.41 0.00 -1.26 -3.44 105.19 101.96 2kma n GLY 177 Ca -0.06 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 3.36 0.28 1.61 6.06 -1.26 -4.99 118.95 124.00 2kma s ARG 178 Ca 0.11 -0.66 -0.28 0.00 -2.50 0.00 0.00 55.73 52.41 2kma s ARG 178 Cb 0.13 -2.85 -0.09 0.00 0.06 0.00 0.00 34.95 32.19 2kma s ARG 178 CO -0.06 -0.05 0.93 -0.08 -2.50 0.00 0.00 175.30 173.55 2kma s THR 179 N 1.07 4.15 0.20 4.11 -1.32 -1.26 -4.25 115.64 118.34 2kma s THR 179 Ca 0.00 1.94 -0.04 0.00 -1.21 0.00 0.00 61.69 62.38 2kma s THR 179 Cb -0.15 -4.16 -0.00 0.00 -1.51 0.00 0.00 72.50 66.68 2kma s THR 179 CO -0.01 0.32 1.57 -0.07 -2.21 0.00 0.00 174.62 174.22 2kma h LEU 180 N 3.67 0.74 0.00 9.08 3.38 -1.84 -1.88 115.31 128.46 2kma h LEU 180 Ca -0.46 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2kma h LEU 180 Cb 1.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kma h LEU 180 CO 0.66 1.02 0.00 0.54 0.09 0.00 0.00 178.44 180.76 2kma n ARG 181 N -4.05 0.88 0.01 1.13 1.74 -1.26 -1.61 116.66 113.50 2kma n ARG 181 Ca -0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.18 2kma n ARG 181 Cb 0.50 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.01 0.49 0.15 5.56 4.07 -0.72 -3.96 120.64 125.22 2kma n GLU 182 Ca 0.21 -0.11 0.09 0.00 -0.06 0.00 0.00 57.16 57.29 2kma n GLU 182 Cb 0.10 -1.56 0.06 0.00 -0.06 0.00 0.00 31.44 29.99 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 -0.29 5.31 4.20 -1.15 -3.47 115.11 119.71 2kma h GLN 183 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2kma h GLN 183 Cb 0.88 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.61 2kma h GLN 183 CO 0.00 0.13 -0.11 0.41 -0.67 0.00 0.00 178.83 178.59 2kma n GLY 184 N 1.18 0.83 3.87 3.46 0.00 -1.15 -5.01 105.19 108.37 2kma n GLY 184 Ca 0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -2.12 1.99 0.00 1.61 -7.23 -1.25 -5.10 120.40 108.30 2kma s VAL 185 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2kma s VAL 185 Cb 0.00 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2kma s VAL 185 CO 0.00 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.17 2kma n GLU 186 N -3.49 2.93 -2.28 4.82 -0.58 -1.26 -4.95 120.64 115.83 2kma n GLU 186 Ca 0.08 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.65 2kma n GLU 186 Cb 0.60 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.50 2kma n GLU 186 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kma n GLU 187 N -0.12 3.05 0.00 3.49 4.71 -1.26 -4.74 120.64 125.76 2kma n GLU 187 Ca 0.00 -3.99 0.00 0.00 -0.01 0.00 0.00 57.16 53.16 2kma n GLU 187 Cb 0.00 -2.07 0.00 0.00 -1.01 0.00 0.00 31.44 28.36 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 -0.65 0.00 -3.05 -0.32 1.44 -1.26 -4.62 115.22 106.75 2kma n HIS 188 Ca 0.33 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.79 2kma n HIS 188 Cb 0.90 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 31.01 2kma n HIS 188 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2kma s GLU 189 N 0.00 3.42 -0.21 -1.40 1.03 -1.26 -5.01 118.70 115.27 2kma s GLU 189 Ca 0.00 -0.18 -0.24 0.00 0.03 0.00 0.00 54.97 54.58 2kma s GLU 189 Cb 0.00 -2.54 -0.01 0.00 -0.80 0.00 0.00 34.13 30.78 2kma s GLU 189 CO 0.00 -0.05 0.80 0.99 -1.33 0.00 0.00 175.26 175.66 2kma s THR 190 N -2.51 4.88 -0.08 1.83 2.01 -1.23 -4.24 115.64 116.30 2kma s THR 190 Ca 0.44 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.96 2kma s THR 190 Cb -0.10 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2kma s THR 190 CO 0.39 -0.01 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.53 2kma s LEU 191 N 2.46 3.41 -0.09 4.42 2.01 0.73 -2.28 118.68 129.34 2kma s LEU 191 Ca 0.35 0.07 0.02 0.00 0.01 0.00 0.00 54.13 54.58 2kma s LEU 191 Cb -0.16 -1.77 -0.02 0.00 0.01 0.00 0.00 46.19 44.25 2kma s LEU 191 CO 0.10 0.36 -0.14 -0.76 1.01 0.00 0.00 176.35 176.91 2kma s LEU 192 N -0.77 2.68 -0.16 1.79 1.43 0.70 -1.52 118.68 122.82 2kma s LEU 192 Ca 0.12 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 2kma s LEU 192 Cb -0.11 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2kma s LEU 192 CO 0.02 0.26 0.68 -0.22 0.23 0.00 0.00 176.35 177.32 2kma s LEU 193 N -0.21 4.19 0.03 1.79 0.20 -0.27 -2.16 118.68 122.25 2kma s LEU 193 Ca 0.00 0.97 0.06 0.00 0.69 0.00 0.00 54.13 55.86 2kma s LEU 193 Cb -0.13 -2.99 -0.02 0.00 -0.43 0.00 0.00 46.19 42.61 2kma s LEU 193 CO 0.03 -0.26 -0.19 -0.13 -0.29 0.00 0.00 176.35 175.51 2kma s ARG 194 N 1.71 1.33 -0.08 1.98 1.81 -1.12 -4.38 118.95 120.20 2kma s ARG 194 Ca 0.32 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 53.21 2kma s ARG 194 Cb -0.16 -1.39 -0.02 0.00 -0.45 0.00 0.00 34.95 32.93 2kma s ARG 194 CO 0.12 0.36 0.96 0.50 -0.68 0.00 0.00 175.30 176.56 2kma s ARG 195 N -0.99 4.45 -0.21 3.54 3.52 -1.26 -0.52 118.95 127.49 2kma s ARG 195 Ca 0.06 1.33 -0.17 0.00 -0.13 0.00 0.00 55.73 56.82 2kma s ARG 195 Cb -0.08 -3.51 -0.19 0.00 -1.56 0.00 0.00 34.95 29.60 2kma s ARG 195 CO 0.01 -0.21 0.14 1.17 -0.81 0.00 0.00 175.30 175.60 2kma n LYS 196 N 4.61 0.60 -4.09 5.12 4.81 0.18 -4.80 118.16 124.59 2kma n LYS 196 Ca 0.07 0.47 -0.35 0.00 -0.87 0.00 0.00 58.31 57.62 2kma n LYS 196 Cb 0.50 -1.70 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 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 -2.42 3.40 -0.59 5.64 0.08 -1.06 -5.02 117.98 118.00 2kma s PHE 197 Ca -0.29 0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.17 2kma s PHE 197 Cb 0.07 -1.85 0.24 0.00 -0.57 0.00 0.00 43.02 40.92 2kma s PHE 197 CO 0.61 0.61 0.68 1.19 -0.10 0.00 0.00 175.22 178.21 2kma n PHE 198 N 1.84 2.79 1.45 0.36 3.72 -1.26 -4.92 117.46 121.44 2kma n PHE 198 Ca -0.18 -4.04 0.00 0.00 -0.05 0.00 0.00 57.45 53.19 2kma n PHE 198 Cb 0.54 -0.51 0.01 0.00 -0.94 0.00 0.00 39.48 38.58 2kma n PHE 198 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2kma n TYR 199 N 1.04 0.06 -2.65 1.38 0.18 -1.26 -4.82 117.16 111.08 2kma n TYR 199 Ca 0.28 -0.02 -0.17 0.00 1.88 0.00 0.00 57.90 59.86 2kma n TYR 199 Cb 0.43 -0.05 0.02 0.00 -0.38 0.00 0.00 39.34 39.35 2kma n TYR 199 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2kma n SER 200 N -0.21 -5.02 0.00 9.48 2.88 -1.26 -1.84 113.62 117.66 2kma n SER 200 Ca 0.01 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2kma n SER 200 Cb 0.15 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kma n ASP 201 N -1.39 -3.27 -0.72 -3.46 2.03 -1.26 -5.34 116.55 103.14 2kma n ASP 201 Ca -0.13 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.31 2kma n ASP 201 Cb 0.61 -2.17 0.31 0.00 -0.72 0.00 0.00 41.12 39.15 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95