#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma s ILE -4 N 0.00 5.22 -0.23 -0.61 1.10 -1.26 -5.05 121.20 120.36 2kma s ILE -4 Ca 0.00 -0.40 -0.09 0.00 -0.51 0.00 0.00 60.65 59.66 2kma s ILE -4 Cb 0.00 -3.89 -0.04 0.00 0.15 0.00 0.00 42.46 38.68 2kma s ILE -4 CO 0.00 -0.24 0.10 -1.81 -2.11 0.00 0.00 174.94 170.88 2kma s ASP -3 N 1.72 5.62 0.01 4.50 1.01 -1.26 -5.07 116.67 123.21 2kma s ASP -3 Ca 0.08 -0.03 -0.30 0.00 0.71 0.00 0.00 52.55 53.01 2kma s ASP -3 Cb -0.18 -2.00 -0.06 0.00 1.01 0.00 0.00 42.92 41.69 2kma s ASP -3 CO 0.11 0.05 1.36 -2.16 0.21 0.00 0.00 175.17 174.74 2kma s PRO -2 N 1.15 4.31 -1.42 8.23 0.04 -1.26 -4.91 135.00 141.14 2kma s PRO -2 Ca 0.05 1.93 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 2kma s PRO -2 Cb -0.14 -3.51 -0.09 0.00 0.04 0.00 0.00 34.50 30.79 2kma s PRO -2 CO 0.04 -0.52 2.87 0.34 0.04 0.00 0.00 177.00 179.77 2kma n PHE -1 N 5.06 2.11 -1.72 0.56 7.35 -1.26 -4.93 117.46 124.62 2kma n PHE -1 Ca 0.12 -2.82 0.00 0.00 -0.76 0.00 0.00 57.45 53.99 2kma n PHE -1 Cb 0.44 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 37.96 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 3.61 0.00 -1.18 -2.13 -2.24 -1.26 -1.94 114.28 109.14 2kma n THR 0 Ca 0.71 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 62.22 2kma n THR 0 Cb 0.25 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 3.37 2.29 -2.72 -0.78 0.00 -1.26 -4.13 117.12 113.91 2kma n MET 1 Ca 0.00 -2.50 -0.13 0.00 -0.00 0.00 0.00 57.70 55.06 2kma n MET 1 Cb 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 33.22 31.25 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 -0.26 1.09 -3.38 1.12 0.24 -0.82 -4.94 118.33 111.39 2kma n VAL 2 Ca 0.48 -3.62 -0.24 0.00 -2.04 0.00 0.00 64.34 58.92 2kma n VAL 2 Cb 0.60 0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -3.10 0.54 0.16 2.33 0.00 -1.24 -3.97 121.76 116.48 2kma s ALA 3 Ca 0.33 -1.72 -0.32 0.00 0.00 0.00 0.00 51.96 50.25 2kma s ALA 3 Cb 0.43 -1.77 -0.17 0.00 0.00 0.00 0.00 23.12 21.60 2kma s ALA 3 CO -0.02 -2.09 0.80 1.28 0.00 0.00 0.00 175.76 175.73 2kma n LEU 4 N 3.70 -0.24 -4.36 0.00 4.77 -0.27 -4.44 117.00 116.16 2kma n LEU 4 Ca 0.17 1.14 -0.45 0.00 -0.03 0.00 0.00 56.01 56.85 2kma n LEU 4 Cb 0.43 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 2kma n LEU 4 CO 0.10 -2.32 0.06 -0.44 -1.33 0.00 0.00 177.39 173.46 2kma s SER 5 N -0.56 6.15 -0.10 -1.43 0.01 -1.26 -1.61 113.70 114.89 2kma s SER 5 Ca 0.71 -1.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.51 2kma s SER 5 Cb -0.98 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.04 2kma s SER 5 CO 0.56 -0.70 -0.07 -0.76 0.41 0.00 0.00 173.24 172.68 2kma s LEU 6 N 1.63 3.14 -0.56 2.44 1.43 0.12 -0.07 118.68 126.81 2kma s LEU 6 Ca 0.04 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 2kma s LEU 6 Cb -0.26 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2kma s LEU 6 CO 0.06 0.28 1.18 -0.54 0.23 0.00 0.00 176.35 177.55 2kma s LYS 7 N -0.28 3.54 -0.61 1.70 1.02 -0.17 -1.21 119.74 123.72 2kma s LYS 7 Ca 0.04 0.29 -0.20 0.00 0.02 0.00 0.00 55.97 56.11 2kma s LYS 7 Cb -0.13 -4.00 0.09 0.00 -0.52 0.00 0.00 37.83 33.27 2kma s LYS 7 CO 0.02 -1.63 0.80 0.42 -0.92 0.00 0.00 175.35 174.04 2kma s ILE 8 N 4.86 4.63 -0.15 2.17 -1.09 0.21 0.62 121.20 132.45 2kma s ILE 8 Ca 0.43 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.98 2kma s ILE 8 Cb -0.07 -4.56 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 2kma s ILE 8 CO 0.26 -1.24 0.35 -0.44 -1.23 0.00 0.00 174.94 172.64 2kma s SER 9 N 3.61 6.51 -0.44 3.58 0.01 -1.12 0.30 113.70 126.15 2kma s SER 9 Ca 0.16 0.60 0.03 0.00 1.31 0.00 0.00 55.95 58.04 2kma s SER 9 Cb -0.21 -2.21 0.13 0.00 0.21 0.00 0.00 66.02 63.93 2kma s SER 9 CO 0.08 0.07 0.21 -0.63 0.41 0.00 0.00 173.24 173.37 2kma s ILE 10 N 0.52 1.83 0.00 1.44 1.01 0.19 -1.10 121.20 125.09 2kma s ILE 10 Ca 0.19 -2.64 0.00 0.00 0.00 0.00 0.00 60.65 58.20 2kma s ILE 10 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2kma s ILE 10 CO 0.06 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.80 2kma n GLY 11 N 3.64 1.42 0.01 6.18 0.00 -1.26 -2.33 105.19 112.84 2kma n GLY 11 Ca 0.06 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 7.62 1.24 -4.93 1.61 6.94 -1.26 -4.99 115.26 121.49 2kma n ASN 12 Ca 0.00 -0.06 -0.25 0.00 -0.02 0.00 0.00 54.58 54.25 2kma n ASN 12 Cb 0.00 1.70 -0.01 0.00 -2.36 0.00 0.00 39.78 39.11 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 -3.09 5.06 -0.11 3.53 0.11 -0.98 -5.10 120.40 119.81 2kma s VAL 13 Ca -0.05 -0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2kma s VAL 13 Cb 0.11 -3.84 0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2kma s VAL 13 CO 0.68 -0.57 0.25 0.54 -3.33 0.00 0.00 175.10 172.66 2kma s VAL 14 N -2.36 -0.08 0.10 2.04 0.11 -1.26 0.57 120.40 119.53 2kma s VAL 14 Ca 0.42 0.16 0.10 0.00 -2.93 0.00 0.00 61.98 59.73 2kma s VAL 14 Cb -0.10 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2kma s VAL 14 CO 0.37 0.07 -0.25 -0.54 -3.33 0.00 0.00 175.10 171.42 2kma s LYS 15 N 1.40 1.40 -0.26 1.54 -0.14 0.15 -4.92 119.74 118.92 2kma s LYS 15 Ca -0.08 -1.23 -0.14 0.00 -1.36 0.00 0.00 55.97 53.17 2kma s LYS 15 Cb -0.11 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 2kma s LYS 15 CO -0.09 0.42 0.31 0.99 -0.76 0.00 0.00 175.35 176.23 2kma s THR 16 N -1.02 5.23 0.02 2.17 2.01 -1.26 0.67 115.64 123.47 2kma s THR 16 Ca 0.11 0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.62 2kma s THR 16 Cb -0.10 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 2kma s THR 16 CO 0.05 0.22 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.01 2kma s MET 17 N 1.72 1.04 -0.08 4.92 -1.94 -0.35 -4.96 119.30 119.64 2kma s MET 17 Ca 0.13 -0.69 0.02 0.00 -1.71 0.00 0.00 55.69 53.44 2kma s MET 17 Cb -0.15 -1.04 -0.02 0.00 2.01 0.00 0.00 34.83 35.62 2kma s MET 17 CO 0.09 0.27 -0.13 -0.65 -0.01 0.00 0.00 175.02 174.59 2kma s GLN 18 N -0.88 2.89 0.09 2.03 -0.21 -1.25 0.16 119.66 122.48 2kma s GLN 18 Ca 0.03 -0.67 0.03 0.00 0.02 0.00 0.00 55.36 54.77 2kma s GLN 18 Cb -0.07 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2kma s GLN 18 CO 0.01 0.47 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.50 2kma s PHE 19 N -0.31 0.92 0.61 0.91 0.08 -0.63 -4.95 117.98 114.60 2kma s PHE 19 Ca 0.03 -0.70 -0.16 0.00 0.12 0.00 0.00 56.93 56.21 2kma s PHE 19 Cb -0.13 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 2kma s PHE 19 CO 0.03 -0.07 1.09 -1.21 -0.10 0.00 0.00 175.22 174.96 2kma s GLU 20 N -2.86 3.13 0.42 0.44 8.01 -1.26 -1.11 118.70 125.46 2kma s GLU 20 Ca 0.04 1.37 0.11 0.00 0.01 0.00 0.00 54.97 56.50 2kma s GLU 20 Cb -0.02 -2.00 0.95 0.00 -4.31 0.00 0.00 34.13 28.76 2kma s GLU 20 CO -0.01 -0.99 1.98 -1.35 0.01 0.00 0.00 175.26 174.90 2kma h PRO 21 N 0.47 0.48 -0.53 0.39 0.11 -1.97 -1.13 132.00 129.82 2kma h PRO 21 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kma h PRO 21 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2kma h PRO 21 CO 0.56 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.54 2kma n SER 22 N -4.48 4.30 -0.34 -2.05 3.41 -1.26 -2.60 113.62 110.61 2kma n SER 22 Ca 0.09 -2.46 0.08 0.00 -0.26 0.00 0.00 58.87 56.32 2kma n SER 22 Cb 0.30 -0.51 0.25 0.00 -0.26 0.00 0.00 64.21 63.99 2kma n SER 22 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kma h THR 23 N 3.35 0.83 -0.18 6.66 2.02 -1.56 -3.47 112.91 120.55 2kma h THR 23 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2kma h THR 23 Cb 1.32 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2kma h THR 23 CO 0.19 0.15 -0.05 0.23 0.37 0.00 0.00 175.52 176.41 2kma n MET 24 N -4.72 -0.19 -0.28 6.66 2.81 -1.26 -3.75 117.12 116.38 2kma n MET 24 Ca 0.19 0.15 0.09 0.00 -1.81 0.00 0.00 57.70 56.32 2kma n MET 24 Cb 0.41 -0.19 0.24 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.01 0.52 -0.39 2.03 2.07 -1.78 -0.51 116.25 118.19 2kma h VAL 25 Ca -0.00 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2kma h VAL 25 Cb 0.05 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2kma h VAL 25 CO 0.00 0.06 -0.18 0.10 0.02 0.00 0.00 177.57 177.58 2kma h TYR 26 N 0.35 0.81 0.08 1.57 -0.00 -1.82 -0.19 116.97 117.77 2kma h TYR 26 Ca 0.48 -0.17 -0.27 0.00 0.00 0.00 0.00 58.73 58.77 2kma h TYR 26 Cb 0.84 -0.20 0.03 0.00 0.00 0.00 0.00 36.73 37.40 2kma h TYR 26 CO -0.20 0.85 -1.10 0.22 -0.00 0.00 0.00 178.16 177.93 2kma h ASP 27 N 0.65 0.83 -0.26 0.10 3.58 -1.59 -3.16 116.42 116.57 2kma h ASP 27 Ca 0.10 -0.80 0.05 0.00 0.42 0.00 0.00 57.03 56.79 2kma h ASP 27 Cb 0.66 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 2kma h ASP 27 CO 0.05 1.54 -0.01 0.00 -2.88 0.00 0.00 179.24 177.94 2kma h ALA 28 N 0.31 0.22 -0.55 -0.78 0.00 -0.81 -2.10 119.26 115.55 2kma h ALA 28 Ca -0.16 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kma h ALA 28 Cb 1.78 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 2kma h ALA 28 CO 0.21 -0.42 0.37 0.00 0.00 0.00 0.00 179.25 179.41 2kma h ARG 30 N 0.59 0.07 0.24 0.00 0.11 -1.36 -2.86 114.38 111.18 2kma h ARG 30 Ca 0.23 -0.11 -0.32 0.00 0.10 0.00 0.00 59.98 59.88 2kma h ARG 30 Cb 0.16 0.04 0.04 0.00 1.11 0.00 0.00 29.97 31.32 2kma h ARG 30 CO -0.06 1.01 -1.38 0.52 0.10 0.00 0.00 179.97 180.16 2kma h MET 31 N 0.03 0.51 -0.54 0.08 2.86 -1.05 -3.07 114.93 113.74 2kma h MET 31 Ca -0.04 -0.87 -0.03 0.00 -2.06 0.00 0.00 59.70 56.70 2kma h MET 31 Cb 1.74 0.32 -0.02 0.00 0.06 0.00 0.00 31.60 33.70 2kma h MET 31 CO 0.14 1.42 0.23 0.97 1.06 0.00 0.00 176.91 180.73 2kma h ILE 32 N 0.07 1.22 0.00 -1.22 2.10 -1.19 -1.24 117.51 117.25 2kma h ILE 32 Ca -0.24 -0.66 -0.03 0.00 1.08 0.00 0.00 64.86 65.01 2kma h ILE 32 Cb 2.09 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 38.46 2kma h ILE 32 CO 0.26 0.25 -0.13 0.03 -1.08 0.00 0.00 178.15 177.48 2kma h ARG 33 N 0.74 0.00 0.62 2.19 3.08 -1.63 0.14 114.38 119.52 2kma h ARG 33 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2kma h ARG 33 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.24 2kma h ARG 33 CO -0.02 0.13 -0.30 1.49 -1.07 0.00 0.00 179.97 180.21 2kma h GLU 34 N 0.00 -0.80 0.13 0.04 4.57 -1.14 -3.37 114.58 114.01 2kma h GLU 34 Ca -0.00 0.05 -0.31 0.00 -1.18 0.00 0.00 59.36 57.92 2kma h GLU 34 Cb 0.29 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2kma h GLU 34 CO 0.02 -0.53 -1.55 0.07 -1.18 0.00 0.00 179.01 175.83 2kma h ARG 35 N -1.15 0.27 -4.79 1.92 0.11 -1.44 -3.45 114.38 105.85 2kma h ARG 35 Ca -0.09 -0.46 -0.67 0.00 0.10 0.00 0.00 59.98 58.87 2kma h ARG 35 Cb 0.64 0.17 -0.19 0.00 1.11 0.00 0.00 29.97 31.69 2kma h ARG 35 CO 0.14 1.14 -0.51 0.42 0.10 0.00 0.00 179.97 181.25 2kma s ILE 36 N -2.61 5.11 0.08 0.08 1.01 0.50 -4.96 121.20 120.42 2kma s ILE 36 Ca -0.10 -0.15 0.22 0.00 0.00 0.00 0.00 60.65 60.63 2kma s ILE 36 Cb 0.07 -3.56 0.21 0.00 0.01 0.00 0.00 42.46 39.18 2kma s ILE 36 CO 0.85 0.09 1.77 -0.65 0.00 0.00 0.00 174.94 177.00 2kma h PRO 37 N 8.42 0.00 0.00 2.79 0.11 -1.82 -3.12 132.00 138.38 2kma h PRO 37 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 2kma h PRO 37 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kma h PRO 37 CO 0.60 0.26 -0.11 0.93 -0.21 0.00 0.00 178.00 179.47 2kma h GLU 38 N 0.00 0.00 -0.34 1.05 3.07 -1.92 -3.12 114.58 113.32 2kma h GLU 38 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kma h GLU 38 Cb 0.84 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 2kma h GLU 38 CO 0.03 0.11 0.22 0.00 -1.40 0.00 0.00 179.01 177.98 2kma h ALA 39 N 1.89 0.43 -1.79 3.43 0.00 -1.85 -3.27 119.26 118.10 2kma h ALA 39 Ca -0.00 -0.04 -0.81 0.00 0.00 0.00 0.00 54.91 54.07 2kma h ALA 39 Cb 0.38 -0.14 -0.28 0.00 0.00 0.00 0.00 17.79 17.75 2kma h ALA 39 CO 0.01 -0.09 0.86 1.47 0.00 0.00 0.00 179.25 181.51 2kma n LEU 40 N -4.83 6.59 0.29 0.00 -0.00 -1.18 -4.71 117.00 113.15 2kma n LEU 40 Ca -0.01 -5.23 0.17 0.00 -0.00 0.00 0.00 56.01 50.95 2kma n LEU 40 Cb 0.04 -1.26 0.84 0.00 -0.00 0.00 0.00 43.42 43.03 2kma n LEU 40 CO 0.35 1.74 1.03 0.00 -0.00 0.00 0.00 177.39 180.51 2kma h ALA 41 N 5.26 1.07 -3.00 1.47 0.00 -1.77 -3.46 119.26 118.83 2kma h ALA 41 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kma h ALA 41 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kma h ALA 41 CO 1.33 0.05 0.00 0.41 0.00 0.00 0.00 179.25 181.04 2kma n GLY 42 N -0.44 4.69 3.66 0.00 0.00 -1.26 -5.11 105.19 106.73 2kma n GLY 42 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 4.67 4.17 0.57 1.61 0.02 -1.26 -4.91 135.00 139.87 2kma s PRO 43 Ca 0.00 1.88 0.27 0.00 0.02 0.00 0.00 61.00 63.17 2kma s PRO 43 Cb 0.00 -3.89 1.62 0.00 0.02 0.00 0.00 34.50 32.25 2kma s PRO 43 CO 0.00 -0.83 2.13 -1.00 -0.33 0.00 0.00 177.00 176.98 2kma h PRO 44 N 9.01 0.00 0.00 5.54 0.13 -1.94 -0.95 132.00 143.79 2kma h PRO 44 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kma h PRO 44 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kma h PRO 44 CO 0.97 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.83 2kma h ASN 45 N 0.00 0.00 0.14 1.44 2.35 -2.01 -2.80 115.58 114.70 2kma h ASN 45 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2kma h ASN 45 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2kma h ASN 45 CO -0.00 0.00 -0.08 0.47 -1.65 0.00 0.00 177.43 176.17 2kma n ASP 46 N -2.98 0.88 -4.73 5.81 9.92 -0.36 -4.81 116.55 120.27 2kma n ASP 46 Ca 0.03 -1.05 -0.35 0.00 -0.53 0.00 0.00 54.79 52.89 2kma n ASP 46 Cb 0.46 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.86 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2kma s PHE 47 N -2.22 3.32 0.32 1.24 0.08 -1.06 0.62 117.98 120.28 2kma s PHE 47 Ca 0.35 0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.72 2kma s PHE 47 Cb 0.21 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2kma s PHE 47 CO 0.41 0.47 0.20 0.41 -0.10 0.00 0.00 175.22 176.61 2kma n GLY 48 N 2.47 3.17 3.36 4.36 0.00 0.73 -4.77 105.19 114.51 2kma n GLY 48 Ca -0.18 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.43 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 5.80 -0.18 0.99 1.43 -1.26 -2.21 118.68 123.25 2kma s LEU 49 Ca 0.28 -1.48 -0.13 0.00 -1.03 0.00 0.00 54.13 51.77 2kma s LEU 49 Cb 0.01 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2kma s LEU 49 CO 0.20 -0.73 0.27 0.12 0.23 0.00 0.00 176.35 176.44 2kma s PHE 50 N 1.66 3.42 -0.42 0.29 5.36 0.24 -0.12 117.98 128.41 2kma s PHE 50 Ca 0.04 0.52 -0.20 0.00 -0.96 0.00 0.00 56.93 56.33 2kma s PHE 50 Cb -0.26 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.09 2kma s PHE 50 CO 0.05 0.18 0.59 -1.17 -1.46 0.00 0.00 175.22 173.41 2kma s LEU 51 N 0.68 4.55 -0.51 6.12 1.98 0.38 0.07 118.68 131.94 2kma s LEU 51 Ca 0.15 -0.35 -0.20 0.00 -2.89 0.00 0.00 54.13 50.83 2kma s LEU 51 Cb -0.13 -2.65 0.05 0.00 0.66 0.00 0.00 46.19 44.12 2kma s LEU 51 CO 0.04 -0.70 0.70 -0.55 -1.89 0.00 0.00 176.35 173.95 2kma s SER 52 N 1.93 6.26 -0.12 3.68 0.15 -1.23 -2.81 113.70 121.55 2kma s SER 52 Ca 0.20 -0.74 -0.07 0.00 0.70 0.00 0.00 55.95 56.04 2kma s SER 52 Cb -0.15 -2.33 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2kma s SER 52 CO 0.17 -0.96 -0.13 -0.78 1.20 0.00 0.00 173.24 172.74 2kma h ASP 53 N 9.06 0.00 0.00 5.45 1.82 -1.85 -3.42 116.42 127.47 2kma h ASP 53 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 2kma h ASP 53 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2kma h ASP 53 CO 0.99 0.66 0.00 -0.67 -1.61 0.00 0.00 179.24 178.60 2kma n ASP 54 N -4.48 0.00 -4.84 2.28 2.03 -1.26 -5.07 116.55 105.21 2kma n ASP 54 Ca -0.05 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.92 2kma n ASP 54 Cb 0.20 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.54 2kma n ASP 54 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kma s ASP 55 N 0.00 6.83 0.65 1.67 1.01 -1.26 -4.96 116.67 120.61 2kma s ASP 55 Ca 0.00 1.22 0.42 0.00 0.71 0.00 0.00 52.55 54.90 2kma s ASP 55 Cb 0.00 -2.35 2.24 0.00 1.01 0.00 0.00 42.92 43.83 2kma s ASP 55 CO 0.00 -0.06 2.31 1.55 0.21 0.00 0.00 175.17 179.18 2kma h PRO 56 N 2.84 0.00 0.15 8.23 0.13 -1.94 -1.71 132.00 139.71 2kma h PRO 56 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 2kma h PRO 56 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2kma h PRO 56 CO 0.66 0.00 -1.30 0.87 -0.23 0.00 0.00 178.00 178.01 2kma h LYS 57 N 0.00 0.57 0.00 0.86 1.79 -1.94 -3.24 116.57 114.61 2kma h LYS 57 Ca -0.00 -0.82 -0.01 0.00 -2.18 0.00 0.00 60.65 57.64 2kma h LYS 57 Cb 0.08 0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2kma h LYS 57 CO 0.00 1.37 -0.04 0.87 -1.08 0.00 0.00 179.45 180.57 2kma h LYS 58 N 0.23 0.00 -6.77 3.15 6.56 -1.78 -3.45 116.57 114.51 2kma h LYS 58 Ca -0.20 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.86 2kma h LYS 58 Cb 1.98 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 33.70 2kma h LYS 58 CO 0.24 0.04 0.82 0.20 -2.06 0.00 0.00 179.45 178.69 2kma s GLY 59 N -4.23 2.23 0.04 3.86 0.00 -0.70 -4.71 107.32 103.82 2kma s GLY 59 Ca 0.06 1.44 -0.01 0.00 0.00 0.00 0.00 44.72 46.20 2kma s GLY 59 CO 0.65 2.40 -0.02 -0.26 0.00 0.00 0.00 173.10 175.88 2kma s ILE 60 N -0.01 0.19 -0.21 0.90 -4.36 -1.12 -4.98 121.20 111.61 2kma s ILE 60 Ca 0.61 -1.54 -0.13 0.00 -0.26 0.00 0.00 60.65 59.33 2kma s ILE 60 Cb -0.44 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 2kma s ILE 60 CO 0.45 -0.85 0.28 0.26 0.24 0.00 0.00 174.94 175.33 2kma s TRP 61 N -3.27 3.36 -0.29 1.37 0.52 -1.26 -0.47 118.94 118.90 2kma s TRP 61 Ca 0.01 0.45 -0.26 0.00 0.02 0.00 0.00 56.10 56.31 2kma s TRP 61 Cb 0.03 -2.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.97 2kma s TRP 61 CO -0.08 0.05 0.92 -0.51 0.02 0.00 0.00 176.95 177.35 2kma s LEU 62 N 1.10 4.04 0.51 2.99 1.43 0.82 -4.98 118.68 124.59 2kma s LEU 62 Ca 0.14 0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2kma s LEU 62 Cb -0.14 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2kma s LEU 62 CO 0.06 -0.69 0.85 -1.83 0.23 0.00 0.00 176.35 174.97 2kma s GLU 63 N 3.19 3.61 0.00 1.70 -1.05 -1.26 -4.46 118.70 120.42 2kma s GLU 63 Ca 0.38 0.41 0.29 0.00 -0.15 0.00 0.00 54.97 55.90 2kma s GLU 63 Cb -0.14 -2.29 1.55 0.00 -0.44 0.00 0.00 34.13 32.81 2kma s GLU 63 CO 0.12 -0.28 2.02 0.00 0.95 0.00 0.00 175.26 178.07 2kma n ALA 64 N -2.21 2.47 0.56 -0.84 0.00 -1.26 -3.25 120.51 115.98 2kma n ALA 64 Ca 0.02 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2kma n ALA 64 Cb 0.55 -1.47 0.34 0.00 0.00 0.00 0.00 19.45 18.87 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 4.65 0.00 -2.31 0.00 0.00 -2.01 -3.42 103.07 99.98 2kma h GLY 65 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2kma h GLY 65 CO 0.00 0.00 -0.69 -1.59 0.00 0.00 0.00 176.54 174.26 2kma s LYS 66 N -3.13 1.50 0.83 4.80 0.00 -1.20 -5.12 119.74 117.42 2kma s LYS 66 Ca 0.09 -1.73 -0.09 0.00 0.00 0.00 0.00 55.97 54.24 2kma s LYS 66 Cb 0.11 -1.17 0.14 0.00 0.00 0.00 0.00 37.83 36.92 2kma s LYS 66 CO 0.62 0.09 1.15 0.00 0.00 0.00 0.00 175.35 177.21 2kma s ALA 67 N -2.98 2.92 -0.16 0.59 0.00 -1.26 -3.93 121.76 116.95 2kma s ALA 67 Ca 0.28 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 2kma s ALA 67 Cb 0.02 -2.49 -0.18 0.00 0.00 0.00 0.00 23.12 20.47 2kma s ALA 67 CO 0.11 -1.87 0.40 -0.07 0.00 0.00 0.00 175.76 174.33 2kma h LEU 68 N -1.05 0.00 -2.08 0.00 3.38 -1.86 -3.34 115.31 110.36 2kma h LEU 68 Ca -0.42 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 56.94 2kma h LEU 68 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 68 CO 0.44 1.06 -0.01 -0.78 0.09 0.00 0.00 178.44 179.24 2kma h ASP 69 N -1.00 0.00 -0.72 -0.43 3.58 -1.73 -0.81 116.42 115.30 2kma h ASP 69 Ca -0.11 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.40 2kma h ASP 69 Cb 0.90 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 2kma h ASP 69 CO -0.07 0.01 0.47 0.22 -2.88 0.00 0.00 179.24 176.99 2kma h TYR 70 N 0.00 0.78 -0.94 0.28 3.20 -1.76 -3.41 116.97 115.11 2kma h TYR 70 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2kma h TYR 70 Cb 0.31 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kma h TYR 70 CO 0.00 0.42 0.00 0.66 -1.64 0.00 0.00 178.16 177.60 2kma n TYR 71 N -4.47 0.00 -0.46 -3.82 4.01 -0.31 -4.93 117.16 107.17 2kma n TYR 71 Ca 0.10 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.72 2kma n TYR 71 Cb 0.20 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.61 -4.22 -0.72 2.81 -1.26 -4.90 117.12 110.44 2kma n MET 72 Ca 0.00 -1.28 -0.30 0.00 -1.81 0.00 0.00 57.70 54.30 2kma n MET 72 Cb 0.00 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 30.92 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 -1.46 3.29 0.00 4.03 1.43 -1.26 -5.00 118.68 119.71 2kma s LEU 73 Ca 0.25 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2kma s LEU 73 Cb 0.20 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2kma s LEU 73 CO 0.02 0.20 0.00 -2.11 0.23 0.00 0.00 176.35 174.69 2kma n ARG 74 N 0.82 0.00 -1.60 1.70 1.85 -1.26 -4.53 116.66 113.65 2kma n ARG 74 Ca -0.13 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.30 2kma n ARG 74 Cb 0.52 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.90 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2kma s ASN 75 N -0.86 5.31 0.00 2.89 0.01 -1.26 -1.75 114.94 119.28 2kma s ASN 75 Ca 0.00 1.78 0.00 0.00 -0.71 0.00 0.00 52.86 53.93 2kma s ASN 75 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2kma s ASN 75 CO 0.00 -2.09 0.00 0.61 -1.51 0.00 0.00 177.10 174.11 2kma n GLY 76 N 5.81 1.49 3.77 0.66 0.00 0.90 -4.88 105.19 112.94 2kma n GLY 76 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.47 6.36 -0.17 1.61 1.11 -0.71 -4.62 116.67 118.78 2kma s ASP 77 Ca 0.00 2.26 -0.19 0.00 0.18 0.00 0.00 52.55 54.80 2kma s ASP 77 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2kma s ASP 77 CO 0.00 -0.78 0.52 -0.89 1.18 0.00 0.00 175.17 175.20 2kma s THR 78 N -1.54 5.13 -0.22 -1.27 2.01 -1.26 -1.00 115.64 117.49 2kma s THR 78 Ca 0.61 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.60 2kma s THR 78 Cb -0.28 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.44 2kma s THR 78 CO 0.34 0.23 -0.09 -0.32 -0.69 0.00 0.00 174.62 174.08 2kma s MET 79 N 1.27 1.99 -0.11 4.92 1.75 0.20 -3.51 119.30 125.80 2kma s MET 79 Ca 0.25 -0.96 -0.27 0.00 -1.25 0.00 0.00 55.69 53.47 2kma s MET 79 Cb -0.15 -2.54 -0.02 0.00 2.84 0.00 0.00 34.83 34.96 2kma s MET 79 CO 0.10 -0.49 0.89 -2.00 -0.65 0.00 0.00 175.02 172.87 2kma s GLU 80 N 1.35 4.39 -0.52 4.11 2.12 0.11 -2.81 118.70 127.44 2kma s GLU 80 Ca -0.03 1.16 -0.17 0.00 0.36 0.00 0.00 54.97 56.29 2kma s GLU 80 Cb -0.17 -3.53 0.10 0.00 0.26 0.00 0.00 34.13 30.78 2kma s GLU 80 CO -0.07 -0.23 0.52 -0.47 -0.54 0.00 0.00 175.26 174.46 2kma s TYR 81 N 1.77 3.18 0.23 5.30 6.14 -0.26 -0.60 117.35 133.12 2kma s TYR 81 Ca 0.43 -1.03 0.01 0.00 0.64 0.00 0.00 57.07 57.13 2kma s TYR 81 Cb -0.18 -3.61 -0.05 0.00 0.42 0.00 0.00 41.96 38.55 2kma s TYR 81 CO 0.17 -1.00 0.06 -0.98 0.64 0.00 0.00 175.55 174.44 2kma s ARG 82 N 1.93 1.31 0.16 4.97 1.70 -0.94 -4.38 118.95 123.70 2kma s ARG 82 Ca 0.06 -1.69 -0.31 0.00 -0.47 0.00 0.00 55.73 53.32 2kma s ARG 82 Cb -0.26 -0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 33.75 2kma s ARG 82 CO 0.06 -0.23 1.49 0.21 -1.08 0.00 0.00 175.30 175.74 2kma s LYS 83 N -3.99 4.26 0.56 3.89 2.20 -1.26 -0.19 119.74 125.20 2kma s LYS 83 Ca 0.33 2.25 0.27 0.00 -0.36 0.00 0.00 55.97 58.46 2kma s LYS 83 Cb 0.07 -3.18 1.64 0.00 -1.51 0.00 0.00 37.83 34.85 2kma s LYS 83 CO 0.10 -0.52 2.18 0.87 -0.36 0.00 0.00 175.35 177.63 2kma h LYS 84 N 6.60 0.00 -6.45 4.03 1.57 -0.12 -3.43 116.57 118.78 2kma h LYS 84 Ca -0.43 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 2kma h LYS 84 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2kma h LYS 84 CO 0.88 0.05 -0.14 -0.65 -0.57 0.00 0.00 179.45 179.01 2kma s GLN 85 N -4.52 3.69 0.15 3.15 -0.21 -1.26 0.31 119.66 120.97 2kma s GLN 85 Ca -0.04 0.10 0.11 0.00 0.02 0.00 0.00 55.36 55.55 2kma s GLN 85 Cb 0.15 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 2kma s GLN 85 CO 0.57 0.27 -0.25 -0.98 -2.12 0.00 0.00 175.29 172.78 2kma s ARG 86 N -3.21 1.42 -0.38 2.91 1.70 -0.30 -4.82 118.95 116.28 2kma s ARG 86 Ca 0.45 -1.41 -0.28 0.00 -0.47 0.00 0.00 55.73 54.02 2kma s ARG 86 Cb -0.11 -1.82 -0.01 0.00 -0.57 0.00 0.00 34.95 32.43 2kma s ARG 86 CO 0.26 0.42 1.71 -1.25 -1.08 0.00 0.00 175.30 175.36 2kma s PRO 87 N -2.31 3.32 -0.18 3.89 0.04 -1.26 -2.42 135.00 136.07 2kma s PRO 87 Ca 0.16 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 2kma s PRO 87 Cb -0.09 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 2kma s PRO 87 CO 0.07 -1.88 0.07 -0.51 0.04 0.00 0.00 177.00 174.79 2kma s LEU 88 N 6.77 3.86 -0.31 -3.56 1.02 -0.39 -4.48 118.68 121.58 2kma s LEU 88 Ca 0.74 0.11 -0.15 0.00 0.02 0.00 0.00 54.13 54.85 2kma s LEU 88 Cb -0.19 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 2kma s LEU 88 CO 0.32 0.19 0.38 -0.54 0.02 0.00 0.00 176.35 176.71 2kma s LYS 89 N 0.28 3.75 -0.07 1.70 3.01 -1.26 -1.22 119.74 125.93 2kma s LYS 89 Ca 0.04 -0.22 0.04 0.00 -1.01 0.00 0.00 55.97 54.82 2kma s LYS 89 Cb -0.12 -3.74 0.00 0.00 -1.01 0.00 0.00 37.83 32.95 2kma s LYS 89 CO 0.00 -0.43 -0.20 0.42 0.51 0.00 0.00 175.35 175.65 2kma s ILE 90 N 2.07 1.73 -0.24 2.17 -1.09 0.65 0.37 121.20 126.86 2kma s ILE 90 Ca 0.13 -0.85 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 2kma s ILE 90 Cb -0.16 -1.50 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 2kma s ILE 90 CO 0.11 0.49 0.07 -0.60 -1.23 0.00 0.00 174.94 173.78 2kma s ARG 91 N 0.28 3.72 0.89 2.79 3.52 -0.41 -0.45 118.95 129.29 2kma s ARG 91 Ca -0.13 -0.45 -0.12 0.00 -0.13 0.00 0.00 55.73 54.90 2kma s ARG 91 Cb -0.16 -3.32 0.16 0.00 -1.56 0.00 0.00 34.95 30.08 2kma s ARG 91 CO 0.06 -0.11 1.23 -1.64 -0.81 0.00 0.00 175.30 174.03 2kma s MET 92 N 1.41 1.07 0.21 5.12 -1.94 0.25 -0.68 119.30 124.74 2kma s MET 92 Ca 0.05 -0.46 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 2kma s MET 92 Cb -0.15 -1.96 0.30 0.00 2.01 0.00 0.00 34.83 35.03 2kma s MET 92 CO 0.04 -2.08 1.71 -0.07 -0.01 0.00 0.00 175.02 174.61 2kma h LEU 93 N -1.32 0.07 0.00 -0.03 -0.00 -1.86 0.48 115.31 112.64 2kma h LEU 93 Ca -0.43 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2kma h LEU 93 Cb 1.26 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2kma h LEU 93 CO 0.43 0.04 0.00 0.47 -0.00 0.00 0.00 178.44 179.38 2kma n ASP 94 N -5.09 0.00 0.00 -0.43 8.00 -1.26 -4.82 116.55 112.94 2kma n ASP 94 Ca 0.09 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.17 2kma n ASP 94 Cb 0.32 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kma n GLY 95 N 0.85 0.92 3.68 0.44 0.00 0.17 -5.06 105.19 106.20 2kma n GLY 95 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.01 4.88 -0.10 2.61 2.01 -1.22 -4.65 115.64 117.16 2kma s THR 96 Ca 0.00 1.73 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 2kma s THR 96 Cb 0.00 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2kma s THR 96 CO 0.00 0.05 -0.02 0.54 -0.69 0.00 0.00 174.62 174.51 2kma s VAL 97 N 1.90 4.12 0.06 3.82 0.11 -1.26 0.88 120.40 130.03 2kma s VAL 97 Ca 0.41 -0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2kma s VAL 97 Cb -0.17 -2.74 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 2kma s VAL 97 CO 0.15 0.58 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.87 2kma s LYS 98 N -0.62 0.65 -0.25 1.54 -2.85 0.40 -4.96 119.74 113.65 2kma s LYS 98 Ca 0.10 -1.20 -0.03 0.00 -1.00 0.00 0.00 55.97 53.84 2kma s LYS 98 Cb -0.12 0.07 0.02 0.00 -2.06 0.00 0.00 37.83 35.74 2kma s LYS 98 CO 0.02 -0.08 -0.04 0.99 0.10 0.00 0.00 175.35 176.35 2kma s THR 99 N -3.60 3.14 0.04 3.79 2.01 -1.26 -0.25 115.64 119.52 2kma s THR 99 Ca 0.06 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.27 2kma s THR 99 Cb 0.06 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2kma s THR 99 CO -0.08 0.24 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.44 2kma s ILE 100 N 1.39 1.19 -0.36 1.82 -1.16 -0.35 -4.90 121.20 118.83 2kma s ILE 100 Ca 0.02 -1.07 -0.18 0.00 -0.51 0.00 0.00 60.65 58.91 2kma s ILE 100 Cb -0.16 -1.08 -0.00 0.00 0.61 0.00 0.00 42.46 41.83 2kma s ILE 100 CO -0.03 0.00 0.53 -0.04 -2.81 0.00 0.00 174.94 172.59 2kma s MET 101 N -1.22 3.60 -0.12 3.50 -1.94 -1.26 -1.26 119.30 120.59 2kma s MET 101 Ca 0.02 -0.16 -0.02 0.00 -1.71 0.00 0.00 55.69 53.82 2kma s MET 101 Cb -0.08 -3.82 -0.03 0.00 2.01 0.00 0.00 34.83 32.91 2kma s MET 101 CO 0.01 -0.68 -0.06 0.14 -0.01 0.00 0.00 175.02 174.43 2kma s VAL 102 N 2.44 3.76 -0.09 -6.03 -7.23 -1.02 -4.79 120.40 107.44 2kma s VAL 102 Ca 0.19 -0.42 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 2kma s VAL 102 Cb -0.15 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 2kma s VAL 102 CO 0.14 0.54 2.04 0.47 -0.31 0.00 0.00 175.10 177.97 2kma n ASP 103 N 3.05 3.60 0.10 4.85 9.92 -1.26 -1.15 116.55 135.65 2kma n ASP 103 Ca -0.18 0.69 0.10 0.00 -0.53 0.00 0.00 54.79 54.88 2kma n ASP 103 Cb 0.53 -1.48 0.44 0.00 -0.64 0.00 0.00 41.12 39.97 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 8.62 0.47 -0.11 -2.24 2.03 0.15 -2.08 116.55 123.39 2kma n ASP 104 Ca 0.25 0.64 0.15 0.00 0.52 0.00 0.00 54.79 56.35 2kma n ASP 104 Cb 0.38 -0.73 0.78 0.00 -0.72 0.00 0.00 41.12 40.83 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 -2.04 0.36 -4.41 1.67 3.41 -1.26 -4.66 113.62 106.70 2kma n SER 105 Ca 0.02 -0.88 -0.21 0.00 -0.26 0.00 0.00 58.87 57.54 2kma n SER 105 Cb 0.17 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kma s LYS 106 N -2.18 1.52 0.87 4.33 0.00 -0.88 -5.10 119.74 118.29 2kma s LYS 106 Ca 0.39 -1.69 -0.15 0.00 0.00 0.00 0.00 55.97 54.52 2kma s LYS 106 Cb 0.21 -1.44 0.21 0.00 0.00 0.00 0.00 37.83 36.80 2kma s LYS 106 CO 0.40 0.25 0.99 0.25 0.00 0.00 0.00 175.35 177.24 2kma n THR 107 N -0.51 0.00 0.06 3.79 -2.24 -1.26 -4.79 114.28 109.32 2kma n THR 107 Ca -0.06 -0.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 2kma n THR 107 Cb 0.60 -1.44 -0.08 0.00 -2.10 0.00 0.00 70.33 67.31 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 -1.98 1.33 -0.58 2.28 2.07 -1.82 -0.40 116.25 117.15 2kma h VAL 108 Ca -0.34 -2.35 0.11 0.00 0.82 0.00 0.00 66.70 64.94 2kma h VAL 108 Cb 0.98 2.42 -0.09 0.00 -1.52 0.00 0.00 31.29 33.09 2kma h VAL 108 CO 0.23 0.72 0.10 0.74 0.02 0.00 0.00 177.57 179.38 2kma h THR 109 N 0.32 0.63 -0.17 2.57 2.02 -1.95 0.60 112.91 116.93 2kma h THR 109 Ca -0.11 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 2kma h THR 109 Cb 1.67 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2kma h THR 109 CO 0.19 0.04 -0.59 -0.78 0.37 0.00 0.00 175.52 174.75 2kma h ASP 110 N 0.23 0.63 -0.00 4.18 3.58 -1.91 -2.29 116.42 120.84 2kma h ASP 110 Ca 0.30 -0.35 0.02 0.00 0.42 0.00 0.00 57.03 57.42 2kma h ASP 110 Cb 0.45 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2kma h ASP 110 CO -0.41 1.08 -0.09 -0.03 -2.88 0.00 0.00 179.24 176.91 2kma h MET 111 N 0.42 -0.15 -0.32 0.28 4.05 -0.08 -1.87 114.93 117.26 2kma h MET 111 Ca -0.00 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2kma h MET 111 Cb 1.15 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 2kma h MET 111 CO 0.11 -0.10 -0.12 1.25 0.23 0.00 0.00 176.91 178.28 2kma h LEU 112 N -0.15 0.53 -1.06 3.39 5.85 0.21 0.14 115.31 124.21 2kma h LEU 112 Ca 0.04 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2kma h LEU 112 Cb 0.20 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2kma h LEU 112 CO -0.09 0.68 0.64 -0.03 -0.34 0.00 0.00 178.44 179.30 2kma h MET 113 N 0.50 1.20 -0.33 1.25 4.05 -1.16 0.16 114.93 120.60 2kma h MET 113 Ca 0.09 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 2kma h MET 113 Cb 0.51 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2kma h MET 113 CO 0.03 0.79 -0.07 1.15 0.23 0.00 0.00 176.91 179.05 2kma h THR 114 N 1.23 1.28 -0.01 -0.77 2.02 -0.36 -3.10 112.91 113.21 2kma h THR 114 Ca 0.38 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 2kma h THR 114 Cb -0.02 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2kma h THR 114 CO -0.11 0.36 -0.03 0.40 0.37 0.00 0.00 175.52 176.51 2kma h ILE 115 N 0.42 1.54 0.00 3.11 2.04 -0.25 -3.02 117.51 121.34 2kma h ILE 115 Ca 0.09 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.30 2kma h ILE 115 Cb 0.56 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2kma h ILE 115 CO 0.03 0.42 -0.13 0.00 0.00 0.00 0.00 178.15 178.47 2kma h ALA 117 N 1.87 1.04 -0.31 0.00 0.00 -1.52 0.11 119.26 120.44 2kma h ALA 117 Ca -0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2kma h ALA 117 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kma h ALA 117 CO 0.02 0.44 -0.28 0.00 0.00 0.00 0.00 179.25 179.43 2kma h ARG 118 N 0.00 0.63 0.10 0.00 2.47 -1.00 -3.04 114.38 113.53 2kma h ARG 118 Ca -0.00 -0.26 -0.27 0.00 -1.26 0.00 0.00 59.98 58.18 2kma h ARG 118 Cb 0.84 -0.02 0.03 0.00 -1.65 0.00 0.00 29.97 29.16 2kma h ARG 118 CO 0.05 0.84 -1.13 0.82 0.56 0.00 0.00 179.97 181.11 2kma h ILE 119 N 0.55 1.31 0.00 2.04 1.08 -1.46 -3.48 117.51 117.55 2kma h ILE 119 Ca 0.07 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2kma h ILE 119 Cb 0.76 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 37.20 2kma h ILE 119 CO 0.06 0.72 0.00 0.61 -0.69 0.00 0.00 178.15 178.85 2kma n GLY 120 N 1.34 1.66 3.71 5.37 0.00 -0.45 -5.10 105.19 111.71 2kma n GLY 120 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 4.40 -1.33 -0.61 1.01 0.25 -4.92 121.20 118.00 2kma s ILE 121 Ca 0.00 1.72 0.08 0.00 0.00 0.00 0.00 60.65 62.45 2kma s ILE 121 Cb 0.00 -4.10 0.33 0.00 0.01 0.00 0.00 42.46 38.70 2kma s ILE 121 CO 0.00 0.12 1.15 1.07 0.00 0.00 0.00 174.94 177.27 2kma n THR 122 N 4.00 0.83 -3.78 2.92 5.66 -1.26 -4.23 114.28 118.43 2kma n THR 122 Ca 0.08 -0.53 -0.13 0.00 -3.05 0.00 0.00 64.05 60.42 2kma n THR 122 Cb 0.48 -0.09 -0.12 0.00 -1.55 0.00 0.00 70.33 69.05 2kma n THR 122 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2kma s ASN 123 N -0.67 -0.26 0.00 1.09 3.84 -1.26 -5.02 114.94 112.66 2kma s ASN 123 Ca 0.23 0.50 0.00 0.00 0.21 0.00 0.00 52.86 53.80 2kma s ASN 123 Cb 0.15 0.48 0.00 0.00 -0.55 0.00 0.00 41.25 41.33 2kma s ASN 123 CO 0.11 -0.10 0.12 0.00 -2.79 0.00 0.00 177.10 174.44 2kma n HIS 124 N 3.22 0.00 0.05 0.43 1.44 -1.26 -4.78 115.22 114.32 2kma n HIS 124 Ca -0.15 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.67 2kma n HIS 124 Cb 0.57 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.59 2kma n HIS 124 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kma n ASP 125 N -0.00 0.37 0.00 4.39 8.00 -1.26 -3.80 116.55 124.24 2kma n ASP 125 Ca 0.00 0.13 0.08 0.00 0.71 0.00 0.00 54.79 55.72 2kma n ASP 125 Cb 0.19 1.33 0.49 0.00 -0.02 0.00 0.00 41.12 43.11 2kma n ASP 125 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kma n GLU 126 N -2.43 0.97 -4.52 -1.24 0.28 -1.26 -4.80 120.64 107.64 2kma n GLU 126 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.70 2kma n GLU 126 Cb 0.56 -1.27 -0.13 0.00 1.43 0.00 0.00 31.44 32.03 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 -2.00 2.16 0.51 -1.84 2.02 -1.25 0.55 117.35 117.50 2kma s TYR 127 Ca 0.25 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2kma s TYR 127 Cb 0.11 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.48 2kma s TYR 127 CO 0.19 0.24 0.31 -1.54 -1.57 0.00 0.00 175.55 173.18 2kma s SER 128 N -1.74 4.55 0.07 2.29 1.04 0.75 -4.70 113.70 115.96 2kma s SER 128 Ca 0.11 -1.26 0.09 0.00 0.48 0.00 0.00 55.95 55.37 2kma s SER 128 Cb -0.10 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2kma s SER 128 CO 0.04 -0.96 -0.24 -0.22 0.98 0.00 0.00 173.24 172.85 2kma s LEU 129 N -4.16 2.21 -0.11 2.42 0.20 -1.24 -2.54 118.68 115.47 2kma s LEU 129 Ca 0.31 -0.61 -0.03 0.00 0.69 0.00 0.00 54.13 54.50 2kma s LEU 129 Cb -0.01 -1.10 0.04 0.00 -0.43 0.00 0.00 46.19 44.69 2kma s LEU 129 CO 0.19 0.18 0.05 0.54 -0.29 0.00 0.00 176.35 177.01 2kma s VAL 130 N -0.90 0.16 -0.49 1.68 0.11 -0.86 0.11 120.40 120.22 2kma s VAL 130 Ca 0.10 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.99 2kma s VAL 130 Cb -0.10 -0.53 0.09 0.00 -1.53 0.00 0.00 36.38 34.31 2kma s VAL 130 CO 0.03 0.01 0.43 -0.13 -3.33 0.00 0.00 175.10 172.11 2kma s ARG 131 N 2.05 2.98 -0.54 1.54 0.52 0.19 0.08 118.95 125.77 2kma s ARG 131 Ca 0.03 -1.44 -0.28 0.00 -0.52 0.00 0.00 55.73 53.53 2kma s ARG 131 Cb -0.14 -4.18 0.01 0.00 0.52 0.00 0.00 34.95 31.16 2kma s ARG 131 CO -0.06 -1.11 1.47 -1.21 0.02 0.00 0.00 175.30 174.41 2kma s GLU 132 N 1.65 3.27 0.59 3.54 2.02 -0.67 -3.41 118.70 125.69 2kma s GLU 132 Ca 0.04 0.56 0.09 0.00 0.02 0.00 0.00 54.97 55.68 2kma s GLU 132 Cb -0.26 -4.14 0.09 0.00 0.10 0.00 0.00 34.13 29.92 2kma s GLU 132 CO 0.06 -1.97 0.77 -0.51 0.02 0.00 0.00 175.26 173.63 2kma s LEU 133 N 6.31 2.96 0.00 1.80 1.43 -1.23 -3.40 118.68 126.55 2kma s LEU 133 Ca 0.56 -0.97 0.15 0.00 -1.03 0.00 0.00 54.13 52.84 2kma s LEU 133 Cb -0.12 -1.42 0.34 0.00 0.03 0.00 0.00 46.19 45.02 2kma s LEU 133 CO 0.26 -1.40 1.25 1.15 0.23 0.00 0.00 176.35 177.84 2kma n MET 134 N -2.24 2.34 -1.30 1.70 0.00 -1.26 -4.79 117.12 111.56 2kma n MET 134 Ca 0.14 -2.03 -0.53 0.00 0.00 0.00 0.00 57.70 55.29 2kma n MET 134 Cb 0.62 -1.36 -0.08 0.00 0.00 0.00 0.00 33.22 32.40 2kma n MET 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2kma n GLU 135 N 0.93 0.00 0.19 3.17 -0.58 -1.26 -4.80 120.64 118.29 2kma n GLU 135 Ca 0.14 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 57.02 2kma n GLU 135 Cb 0.47 -1.19 0.58 0.00 -0.57 0.00 0.00 31.44 30.73 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 4.66 0.00 0.00 3.49 4.11 -1.99 -2.60 114.58 122.25 2kma h GLU 136 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2kma h GLU 136 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kma h GLU 136 CO 0.80 0.00 -0.62 1.63 0.07 0.00 0.00 179.01 180.88 2kma n LYS 137 N -2.58 0.33 0.09 1.06 5.02 -1.26 -4.86 118.16 115.96 2kma n LYS 137 Ca 0.01 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.40 2kma n LYS 137 Cb 0.25 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 2kma n LYS 137 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kma h LYS 138 N -0.62 -0.23 -5.56 1.97 1.57 -1.96 -3.48 116.57 108.25 2kma h LYS 138 Ca 0.00 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2kma h LYS 138 Cb 0.62 0.05 0.05 0.00 0.08 0.00 0.00 32.23 33.04 2kma h LYS 138 CO 0.00 -0.15 -0.36 -3.47 -0.57 0.00 0.00 179.45 174.90 2kma n ASP 169 N -3.04 -7.12 -4.43 0.86 2.03 -0.98 -5.04 116.55 98.83 2kma n ASP 169 Ca -0.03 -0.36 -0.21 0.00 0.52 0.00 0.00 54.79 54.71 2kma n ASP 169 Cb 0.09 -4.86 -0.10 0.00 -0.72 0.00 0.00 41.12 35.53 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 -3.70 1.57 0.42 -0.67 2.02 -1.26 -5.01 118.70 112.07 2kma s GLU 170 Ca 0.14 -1.82 0.26 0.00 0.02 0.00 0.00 54.97 53.57 2kma s GLU 170 Cb -0.03 -1.06 0.65 0.00 0.10 0.00 0.00 34.13 33.80 2kma s GLU 170 CO 0.77 -0.03 1.72 -0.07 0.02 0.00 0.00 175.26 177.66 2kma h LEU 171 N 2.24 0.00 -3.05 1.80 3.38 -1.96 -3.25 115.31 114.47 2kma h LEU 171 Ca -0.40 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.33 2kma h LEU 171 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 2kma h LEU 171 CO 0.68 0.00 -0.82 0.59 0.09 0.00 0.00 178.44 178.98 2kma n ASN 172 N -2.94 -6.45 -4.55 -0.43 3.02 -1.22 0.56 115.26 103.26 2kma n ASN 172 Ca 0.03 -0.07 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 2kma n ASN 172 Cb 0.45 -3.28 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.27 2.72 0.12 3.10 0.52 -1.26 0.35 118.94 122.22 2kma s TRP 173 Ca 0.23 0.19 -0.31 0.00 0.02 0.00 0.00 56.10 56.23 2kma s TRP 173 Cb -0.04 -4.26 -0.08 0.00 -1.15 0.00 0.00 33.47 27.93 2kma s TRP 173 CO 0.83 -1.44 1.45 -0.51 0.02 0.00 0.00 176.95 177.30 2kma s LEU 174 N 4.38 4.37 0.00 2.99 1.43 0.31 -4.89 118.68 127.27 2kma s LEU 174 Ca 0.36 2.41 0.29 0.00 -1.03 0.00 0.00 54.13 56.16 2kma s LEU 174 Cb -0.10 -3.59 1.22 0.00 0.03 0.00 0.00 46.19 43.75 2kma s LEU 174 CO 0.22 -0.71 1.90 -0.90 0.23 0.00 0.00 176.35 177.09 2kma n ASP 175 N 4.06 0.05 -2.01 2.29 5.75 -1.26 -3.66 116.55 121.77 2kma n ASP 175 Ca 0.12 0.36 -0.11 0.00 -0.01 0.00 0.00 54.79 55.15 2kma n ASP 175 Cb 0.41 -0.41 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kma n HIS 176 N -1.47 -1.39 0.00 2.11 8.25 -1.26 -4.85 115.22 116.61 2kma n HIS 176 Ca 0.08 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2kma n HIS 176 Cb 0.33 -2.98 0.00 0.00 1.12 0.00 0.00 29.99 28.45 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 -1.23 0.21 3.78 -1.41 0.00 -1.26 -4.32 105.19 100.96 2kma n GLY 177 Ca -0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 4.51 0.90 1.61 3.52 -1.26 -4.87 118.95 122.36 2kma s ARG 178 Ca 0.00 1.12 -0.14 0.00 -0.13 0.00 0.00 55.73 56.59 2kma s ARG 178 Cb 0.00 -3.13 0.14 0.00 -1.56 0.00 0.00 34.95 30.40 2kma s ARG 178 CO 0.00 0.50 1.22 -0.08 -0.81 0.00 0.00 175.30 176.13 2kma s THR 179 N -1.28 1.98 -0.09 4.11 -1.32 -1.26 -4.56 115.64 113.23 2kma s THR 179 Ca 0.39 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.71 2kma s THR 179 Cb -0.21 -2.94 -0.28 0.00 -1.51 0.00 0.00 72.50 67.56 2kma s THR 179 CO 0.25 0.00 0.59 -0.07 -2.21 0.00 0.00 174.62 173.18 2kma h LEU 180 N -1.40 0.42 -1.73 9.08 3.38 -1.89 -3.23 115.31 119.93 2kma h LEU 180 Ca -0.46 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 56.64 2kma h LEU 180 Cb 1.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2kma h LEU 180 CO 0.54 1.62 0.18 0.03 0.09 0.00 0.00 178.44 180.90 2kma h ARG 181 N -0.26 0.36 0.00 1.13 3.08 -1.87 -0.40 114.38 116.42 2kma h ARG 181 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2kma h ARG 181 Cb 1.79 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.76 2kma h ARG 181 CO 0.08 0.24 0.00 1.49 -1.07 0.00 0.00 179.97 180.71 2kma h GLU 182 N 0.37 0.00 -0.00 0.04 4.57 -1.86 -2.51 114.58 115.17 2kma h GLU 182 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2kma h GLU 182 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2kma h GLU 182 CO -0.02 0.00 -0.80 1.04 -1.18 0.00 0.00 179.01 178.05 2kma n GLN 183 N -2.83 0.71 -3.36 1.92 6.02 -0.25 -4.98 117.38 114.60 2kma n GLN 183 Ca 0.02 -0.27 -0.19 0.00 -0.01 0.00 0.00 57.00 56.55 2kma n GLN 183 Cb 0.32 -1.43 0.07 0.00 1.02 0.00 0.00 30.24 30.21 2kma n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kma n GLY 184 N 1.44 -0.28 3.89 1.08 0.00 -0.70 -5.01 105.19 105.61 2kma n GLY 184 Ca 0.05 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -3.28 5.45 0.47 1.61 -7.23 -1.13 -5.03 120.40 111.26 2kma s VAL 185 Ca 0.36 0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.62 2kma s VAL 185 Cb -0.16 -3.49 0.08 0.00 0.56 0.00 0.00 36.38 33.36 2kma s VAL 185 CO 0.61 0.44 0.65 -0.62 -0.31 0.00 0.00 175.10 175.86 2kma n GLU 186 N 1.34 0.67 -0.05 4.82 -0.58 -1.26 -4.77 120.64 120.82 2kma n GLU 186 Ca -0.14 -2.50 -0.19 0.00 -0.42 0.00 0.00 57.16 53.90 2kma n GLU 186 Cb 0.53 -0.20 -0.13 0.00 -0.57 0.00 0.00 31.44 31.07 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 -2.02 0.71 0.00 3.49 1.02 -1.26 -4.16 120.64 118.42 2kma n GLU 187 Ca 0.13 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.57 2kma n GLU 187 Cb 0.48 -1.64 0.46 0.00 -0.02 0.00 0.00 31.44 30.72 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kma n HIS 188 N -3.37 0.00 -2.95 -0.32 1.44 -1.26 -4.25 115.22 104.51 2kma n HIS 188 Ca -0.36 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 54.95 2kma n HIS 188 Cb 1.03 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 31.02 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 -2.12 4.61 -0.18 -1.40 0.41 -1.26 -5.00 118.70 113.75 2kma s GLU 189 Ca 0.22 1.20 -0.29 0.00 -0.41 0.00 0.00 54.97 55.69 2kma s GLU 189 Cb 0.11 -3.27 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2kma s GLU 189 CO 0.20 0.55 1.08 0.99 -0.49 0.00 0.00 175.26 177.59 2kma s THR 190 N -1.11 4.62 -0.10 3.63 2.01 -1.22 -4.14 115.64 119.33 2kma s THR 190 Ca 0.37 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 64.29 2kma s THR 190 Cb -0.23 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 2kma s THR 190 CO 0.27 -0.12 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.28 2kma s LEU 191 N 2.93 3.30 -0.10 4.42 2.01 0.16 -1.67 118.68 129.73 2kma s LEU 191 Ca 0.47 -0.01 -0.00 0.00 0.01 0.00 0.00 54.13 54.60 2kma s LEU 191 Cb -0.17 -1.75 -0.02 0.00 0.01 0.00 0.00 46.19 44.25 2kma s LEU 191 CO 0.11 0.31 -0.09 -0.76 1.01 0.00 0.00 176.35 176.92 2kma s LEU 192 N -0.46 2.98 -0.21 1.79 1.43 0.11 -1.29 118.68 123.04 2kma s LEU 192 Ca 0.07 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.77 2kma s LEU 192 Cb -0.12 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2kma s LEU 192 CO 0.02 0.26 0.79 -0.22 0.23 0.00 0.00 176.35 177.43 2kma s LEU 193 N -0.20 4.13 0.08 1.79 0.20 0.14 -2.02 118.68 122.80 2kma s LEU 193 Ca 0.02 1.05 0.10 0.00 0.69 0.00 0.00 54.13 55.98 2kma s LEU 193 Cb -0.13 -3.15 -0.03 0.00 -0.43 0.00 0.00 46.19 42.45 2kma s LEU 193 CO 0.03 -0.43 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.28 2kma s ARG 194 N 2.41 1.54 -0.16 1.98 1.81 -1.05 -4.42 118.95 121.06 2kma s ARG 194 Ca 0.35 -1.19 -0.15 0.00 -1.72 0.00 0.00 55.73 53.02 2kma s ARG 194 Cb -0.16 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 2kma s ARG 194 CO 0.10 0.46 0.37 -0.98 -0.68 0.00 0.00 175.30 174.56 2kma s ARG 195 N -1.60 4.27 0.17 3.54 1.70 -1.26 -0.18 118.95 125.58 2kma s ARG 195 Ca 0.12 0.22 0.22 0.00 -0.47 0.00 0.00 55.73 55.81 2kma s ARG 195 Cb -0.10 -3.45 -0.05 0.00 -0.57 0.00 0.00 34.95 30.78 2kma s ARG 195 CO 0.04 0.16 0.96 1.17 -1.08 0.00 0.00 175.30 176.55 2kma n LYS 196 N 3.79 0.61 -4.53 3.89 4.81 0.19 -4.79 118.16 122.13 2kma n LYS 196 Ca -0.10 0.10 -0.26 0.00 -0.87 0.00 0.00 58.31 57.19 2kma n LYS 196 Cb 0.52 -1.80 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 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 -3.34 2.41 -0.87 5.64 0.40 -0.66 -5.01 117.98 116.56 2kma s PHE 197 Ca -0.02 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 2kma s PHE 197 Cb 0.10 -1.37 0.30 0.00 0.51 0.00 0.00 43.02 42.55 2kma s PHE 197 CO 0.80 0.58 1.24 1.19 0.70 0.00 0.00 175.22 179.74 2kma n PHE 198 N -0.80 3.00 0.00 0.36 3.01 -1.26 -4.90 117.46 116.87 2kma n PHE 198 Ca -0.05 -3.25 0.00 0.00 1.01 0.00 0.00 57.45 55.16 2kma n PHE 198 Cb 0.63 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 2kma n PHE 198 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2kma n TYR 199 N 0.75 0.00 -2.55 1.38 4.01 -1.26 -4.80 117.16 114.68 2kma n TYR 199 Ca 0.31 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.85 2kma n TYR 199 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2kma n TYR 199 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2kma n SER 200 N -0.18 -5.72 -2.25 7.72 2.88 -1.26 -1.03 113.62 113.78 2kma n SER 200 Ca 0.00 -0.09 -0.18 0.00 -1.33 0.00 0.00 58.87 57.27 2kma n SER 200 Cb 0.00 -4.69 -0.02 0.00 -0.75 0.00 0.00 64.21 58.75 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 -1.91 -5.17 -0.88 -3.46 2.03 -1.26 -5.26 116.55 100.63 2kma n ASP 201 Ca -0.20 0.13 0.12 0.00 0.52 0.00 0.00 54.79 55.36 2kma n ASP 201 Cb 0.66 -4.38 0.17 0.00 -0.72 0.00 0.00 41.12 36.85 2kma n ASP 201 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28