#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpo s LEU 2 N 0.00 4.22 -0.21 -0.89 1.02 0.94 -4.97 118.68 118.79 2kpo s LEU 2 Ca 0.00 1.21 0.02 0.00 0.02 0.00 0.00 54.13 55.38 2kpo s LEU 2 Cb 0.00 -3.22 0.04 0.00 0.02 0.00 0.00 46.19 43.03 2kpo s LEU 2 CO 0.00 -0.32 -0.16 -0.76 0.02 0.00 0.00 176.35 175.13 2kpo s LEU 3 N 1.73 2.65 0.21 1.79 1.43 -1.26 0.01 118.68 125.24 2kpo s LEU 3 Ca 0.39 -0.95 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2kpo s LEU 3 Cb -0.17 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 2kpo s LEU 3 CO 0.15 -0.08 -0.17 -0.31 0.23 0.00 0.00 176.35 176.17 2kpo s TYR 4 N 1.22 1.87 -0.11 0.29 1.51 -0.82 -3.57 117.35 117.74 2kpo s TYR 4 Ca -0.01 -0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2kpo s TYR 4 Cb -0.16 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2kpo s TYR 4 CO -0.10 0.44 -0.09 0.08 -1.11 0.00 0.00 175.55 174.77 2kpo s VAL 5 N -2.67 1.10 -0.36 0.71 1.01 0.47 -0.25 120.40 120.41 2kpo s VAL 5 Ca 0.23 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 2kpo s VAL 5 Cb -0.03 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 35.30 2kpo s VAL 5 CO 0.09 0.38 0.16 -0.76 0.00 0.00 0.00 175.10 174.97 2kpo s LEU 6 N 1.58 4.58 -0.32 3.92 1.43 0.14 -0.41 118.68 129.59 2kpo s LEU 6 Ca 0.03 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 2kpo s LEU 6 Cb -0.13 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2kpo s LEU 6 CO -0.07 -0.37 0.19 -0.51 0.23 0.00 0.00 176.35 175.81 2kpo s ILE 7 N 1.46 4.94 -0.51 -0.59 2.07 -0.90 -1.00 121.20 126.67 2kpo s ILE 7 Ca 0.00 -0.28 -0.16 0.00 -1.41 0.00 0.00 60.65 58.80 2kpo s ILE 7 Cb -0.20 -3.51 0.10 0.00 0.13 0.00 0.00 42.46 38.99 2kpo s ILE 7 CO 0.04 0.06 0.47 -0.63 -1.91 0.00 0.00 174.94 172.97 2kpo s ILE 8 N 1.67 5.20 0.10 2.00 1.01 0.86 -0.98 121.20 131.06 2kpo s ILE 8 Ca 0.05 -1.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.17 2kpo s ILE 8 Cb -0.17 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.12 2kpo s ILE 8 CO 0.08 -0.76 0.69 -0.55 0.00 0.00 0.00 174.94 174.41 2kpo s SER 9 N 3.17 -0.51 0.00 3.58 0.15 -1.22 -2.59 113.70 116.27 2kpo s SER 9 Ca 0.04 0.03 0.11 0.00 0.70 0.00 0.00 55.95 56.82 2kpo s SER 9 Cb -0.27 0.53 -0.11 0.00 -1.71 0.00 0.00 66.02 64.46 2kpo s SER 9 CO 0.05 -0.85 0.47 -3.20 1.20 0.00 0.00 173.24 170.91 2kpo n ASN 10 N -0.29 0.56 -4.58 5.45 2.85 -1.26 -4.82 115.26 113.18 2kpo n ASN 10 Ca -0.14 -0.78 -0.42 0.00 -0.11 0.00 0.00 54.58 53.12 2kpo n ASN 10 Cb 0.64 0.96 -0.02 0.00 1.24 0.00 0.00 39.78 42.59 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2kpo s ASP 11 N -1.96 6.41 0.15 1.20 1.01 -1.26 -4.92 116.67 117.30 2kpo s ASP 11 Ca 0.04 0.04 -0.16 0.00 0.71 0.00 0.00 52.55 53.18 2kpo s ASP 11 Cb 0.08 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.47 2kpo s ASP 11 CO 0.42 -1.52 1.80 0.11 0.21 0.00 0.00 175.17 176.19 2kpo h LYS 12 N 9.60 0.53 -0.95 8.23 6.56 -1.99 -1.68 116.57 136.87 2kpo h LYS 12 Ca -0.25 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.31 2kpo h LYS 12 Cb 1.06 -0.12 -0.05 0.00 -0.57 0.00 0.00 32.23 32.55 2kpo h LYS 12 CO 1.20 0.37 0.62 0.87 -2.06 0.00 0.00 179.45 180.45 2kpo h LYS 13 N 0.53 1.25 -0.57 3.15 1.79 -2.00 0.17 116.57 120.89 2kpo h LYS 13 Ca 0.14 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 2kpo h LYS 13 Cb -0.04 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.31 2kpo h LYS 13 CO -0.03 0.83 -0.03 1.25 -1.08 0.00 0.00 179.45 180.40 2kpo h LEU 14 N 1.29 1.00 -1.11 2.94 6.46 -1.92 -2.89 115.31 121.07 2kpo h LEU 14 Ca 0.35 -0.29 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 2kpo h LEU 14 Cb -0.14 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.51 2kpo h LEU 14 CO -0.07 1.06 -0.23 0.40 -0.62 0.00 0.00 178.44 178.98 2kpo h ILE 15 N 0.92 1.24 0.17 4.05 2.04 -0.30 -2.79 117.51 122.85 2kpo h ILE 15 Ca 0.16 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.90 2kpo h ILE 15 Cb 0.57 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2kpo h ILE 15 CO 0.03 0.35 -0.22 -0.33 0.00 0.00 0.00 178.15 177.99 2kpo h GLU 16 N 0.32 -0.43 -0.78 2.37 4.39 -0.50 -0.04 114.58 119.91 2kpo h GLU 16 Ca 0.05 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kpo h GLU 16 Cb 0.58 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 2kpo h GLU 16 CO 0.04 -0.28 0.52 0.93 -1.16 0.00 0.00 179.01 179.05 2kpo h GLU 17 N -0.44 1.02 -0.18 2.33 4.39 -1.49 -1.51 114.58 118.71 2kpo h GLU 17 Ca 0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kpo h GLU 17 Cb 0.43 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2kpo h GLU 17 CO -0.08 0.68 0.08 0.00 -1.16 0.00 0.00 179.01 178.53 2kpo h ALA 18 N 1.51 0.23 -0.12 3.43 0.00 -1.18 -0.82 119.26 122.32 2kpo h ALA 18 Ca 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2kpo h ALA 18 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2kpo h ALA 18 CO -0.06 -0.20 -0.18 0.00 0.00 0.00 0.00 179.25 178.81 2kpo h ARG 19 N 0.15 0.19 0.11 0.00 3.08 -0.57 0.30 114.38 117.64 2kpo h ARG 19 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2kpo h ARG 19 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2kpo h ARG 19 CO -0.01 0.37 -0.05 0.87 -1.07 0.00 0.00 179.97 180.08 2kpo h LYS 20 N 0.18 -0.14 -0.06 0.04 1.57 -1.12 -3.19 116.57 113.85 2kpo h LYS 20 Ca 0.03 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2kpo h LYS 20 Cb 0.42 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2kpo h LYS 20 CO 0.03 0.28 -0.15 0.52 -0.57 0.00 0.00 179.45 179.56 2kpo h MET 21 N -0.61 0.10 -0.33 3.15 2.86 -0.96 -2.42 114.93 116.72 2kpo h MET 21 Ca -0.01 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2kpo h MET 21 Cb 0.49 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 2kpo h MET 21 CO 0.02 0.26 0.11 0.00 1.06 0.00 0.00 176.91 178.36 2kpo h ALA 22 N 1.75 0.37 -0.60 6.32 0.00 -0.98 0.10 119.26 126.22 2kpo h ALA 22 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2kpo h ALA 22 Cb 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2kpo h ALA 22 CO 0.02 -0.29 0.25 0.93 0.00 0.00 0.00 179.25 180.16 2kpo h GLU 23 N 0.24 0.89 -0.60 0.00 4.39 -1.45 0.36 114.58 118.42 2kpo h GLU 23 Ca 0.15 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2kpo h GLU 23 Cb 0.13 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2kpo h GLU 23 CO -0.16 0.75 0.32 0.87 -1.16 0.00 0.00 179.01 179.64 2kpo h LYS 24 N 0.83 0.84 -0.01 2.33 1.79 -1.04 -2.19 116.57 119.12 2kpo h LYS 24 Ca 0.20 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2kpo h LYS 24 Cb 0.18 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2kpo h LYS 24 CO -0.02 0.65 -0.04 0.00 -1.08 0.00 0.00 179.45 178.97 2kpo n ALA 25 N -2.32 2.68 -1.43 3.86 0.00 0.31 -4.92 120.51 118.69 2kpo n ALA 25 Ca 0.04 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2kpo n ALA 25 Cb 0.09 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 2kpo n ALA 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpo n ASN 26 N -0.52 -4.70 -4.89 0.00 5.03 0.34 -4.91 115.26 105.62 2kpo n ASN 26 Ca 0.19 0.34 -0.30 0.00 0.87 0.00 0.00 54.58 55.69 2kpo n ASN 26 Cb 0.25 -3.46 -0.03 0.00 -1.02 0.00 0.00 39.78 35.52 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kpo s LEU 27 N -3.24 3.96 -0.29 3.41 1.43 0.99 -4.97 118.68 119.98 2kpo s LEU 27 Ca 0.00 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 2kpo s LEU 27 Cb 0.00 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2kpo s LEU 27 CO 0.00 -0.28 0.29 -0.70 0.23 0.00 0.00 176.35 175.89 2kpo s GLU 28 N -3.60 3.90 -0.12 1.70 -6.30 -1.23 -4.38 118.70 108.67 2kpo s GLU 28 Ca 0.48 -0.21 -0.01 0.00 -2.50 0.00 0.00 54.97 52.74 2kpo s GLU 28 Cb -0.11 -3.68 -0.02 0.00 0.00 0.00 0.00 34.13 30.32 2kpo s GLU 28 CO 0.29 -0.28 -0.09 -1.17 0.02 0.00 0.00 175.26 174.04 2kpo s LEU 29 N 1.91 3.01 -0.11 2.70 0.20 -1.26 -0.39 118.68 124.74 2kpo s LEU 29 Ca 0.11 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.78 2kpo s LEU 29 Cb -0.16 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2kpo s LEU 29 CO 0.11 0.23 -0.19 -0.13 -0.29 0.00 0.00 176.35 176.08 2kpo s ARG 30 N -0.02 2.55 -0.13 1.98 1.81 0.45 -4.97 118.95 120.62 2kpo s ARG 30 Ca -0.01 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 53.03 2kpo s ARG 30 Cb -0.14 -2.07 -0.01 0.00 -0.45 0.00 0.00 34.95 32.28 2kpo s ARG 30 CO 0.03 0.01 0.95 0.95 -0.68 0.00 0.00 175.30 176.55 2kpo s THR 31 N 0.78 4.82 -0.07 0.02 -4.23 -1.26 -2.12 115.64 113.58 2kpo s THR 31 Ca -0.10 1.90 -0.00 0.00 -1.18 0.00 0.00 61.69 62.31 2kpo s THR 31 Cb -0.16 -4.25 -0.03 0.00 1.34 0.00 0.00 72.50 69.40 2kpo s THR 31 CO 0.01 0.01 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.37 2kpo s VAL 32 N 2.07 3.95 0.00 2.29 1.01 -0.15 -4.95 120.40 124.62 2kpo s VAL 32 Ca 0.45 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2kpo s VAL 32 Cb -0.18 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2kpo s VAL 32 CO 0.16 0.58 0.00 0.29 0.00 0.00 0.00 175.10 176.13 2kpo n LYS 33 N 2.11 0.00 -4.32 2.72 5.02 -1.26 -3.46 118.16 118.97 2kpo n LYS 33 Ca -0.18 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.87 2kpo n LYS 33 Cb 0.53 -0.87 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 2kpo n LYS 33 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kpo s THR 34 N -1.99 2.90 0.20 -0.18 -4.23 -1.26 -4.96 115.64 106.12 2kpo s THR 34 Ca 0.00 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 2kpo s THR 34 Cb 0.00 -2.76 0.12 0.00 1.34 0.00 0.00 72.50 71.20 2kpo s THR 34 CO 0.00 -0.28 1.76 -0.08 -0.54 0.00 0.00 174.62 175.48 2kpo h GLU 35 N 1.88 0.43 -0.84 3.99 4.57 -2.01 -2.42 114.58 120.16 2kpo h GLU 35 Ca -0.43 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 57.78 2kpo h GLU 35 Cb 1.25 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.69 2kpo h GLU 35 CO 0.63 0.28 0.53 0.22 -1.18 0.00 0.00 179.01 179.49 2kpo h ASP 36 N 0.44 0.85 -0.02 1.04 1.82 -2.00 -2.87 116.42 115.68 2kpo h ASP 36 Ca 0.28 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2kpo h ASP 36 Cb 0.29 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.13 2kpo h ASP 36 CO -0.25 0.56 0.01 -0.33 -1.61 0.00 0.00 179.24 177.62 2kpo h GLU 37 N 0.99 0.03 -0.32 0.28 5.08 -1.85 0.17 114.58 118.95 2kpo h GLU 37 Ca 0.36 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.78 2kpo h GLU 37 Cb 0.11 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2kpo h GLU 37 CO -0.15 0.12 -0.25 1.25 -1.00 0.00 0.00 179.01 178.98 2kpo h LEU 38 N -0.06 -0.83 -0.66 1.33 7.12 -1.32 0.25 115.31 121.14 2kpo h LEU 38 Ca 0.01 0.16 0.06 0.00 0.13 0.00 0.00 57.88 58.24 2kpo h LEU 38 Cb 0.10 0.40 -0.06 0.00 -0.53 0.00 0.00 40.66 40.57 2kpo h LEU 38 CO -0.00 -0.28 0.36 0.50 -0.13 0.00 0.00 178.44 178.89 2kpo h LYS 39 N -0.22 0.64 -0.18 1.25 3.64 -1.41 -1.81 116.57 118.48 2kpo h LYS 39 Ca 0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2kpo h LYS 39 Cb 0.48 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2kpo h LYS 39 CO -0.45 0.42 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.89 2kpo h LYS 40 N 0.66 0.26 -0.10 1.90 3.64 0.17 -0.20 116.57 122.90 2kpo h LYS 40 Ca 0.30 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.41 2kpo h LYS 40 Cb 0.21 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2kpo h LYS 40 CO -0.19 0.33 -0.85 1.88 -2.27 0.00 0.00 179.45 178.35 2kpo h TYR 41 N 0.26 0.98 0.00 1.91 0.05 -0.35 -3.22 116.97 116.60 2kpo h TYR 41 Ca 0.06 -0.46 -0.01 0.00 0.05 0.00 0.00 58.73 58.37 2kpo h TYR 41 Cb 0.26 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 2kpo h TYR 41 CO 0.00 1.29 -0.03 -0.07 -1.05 0.00 0.00 178.16 178.30 2kpo h LEU 42 N 0.46 0.00 -0.32 3.88 3.38 -0.30 -2.60 115.31 119.81 2kpo h LEU 42 Ca -0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2kpo h LEU 42 Cb 1.48 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 2kpo h LEU 42 CO 0.17 0.03 -0.16 -0.33 0.09 0.00 0.00 178.44 178.24 2kpo h GLU 43 N 0.00 -0.11 -0.25 1.13 4.39 -1.11 -0.05 114.58 118.59 2kpo h GLU 43 Ca -0.00 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 2kpo h GLU 43 Cb 0.07 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2kpo h GLU 43 CO 0.00 -0.07 -0.31 1.49 -1.16 0.00 0.00 179.01 178.96 2kpo h GLU 44 N -0.11 0.51 0.00 2.33 4.57 -1.64 -3.17 114.58 117.06 2kpo h GLU 44 Ca 0.17 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2kpo h GLU 44 Cb 0.37 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2kpo h GLU 44 CO -0.40 0.76 0.00 0.74 -1.18 0.00 0.00 179.01 178.93 2kpo h PHE 45 N 0.44 0.00 -0.61 0.92 0.05 -1.07 -2.78 116.94 113.88 2kpo h PHE 45 Ca 0.05 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.79 2kpo h PHE 45 Cb 0.76 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.68 2kpo h PHE 45 CO 0.03 0.00 0.17 0.00 -0.18 0.00 0.00 178.31 178.33 2kpo h ARG 46 N 0.00 0.96 0.07 1.51 3.08 -1.02 -3.15 114.38 115.84 2kpo h ARG 46 Ca 0.00 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.84 2kpo h ARG 46 Cb 0.66 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2kpo h ARG 46 CO 0.00 0.86 -0.33 0.87 -1.07 0.00 0.00 179.97 180.31 2kpo h LYS 47 N 0.88 -0.44 -0.99 0.04 1.57 -1.63 -1.91 116.57 114.09 2kpo h LYS 47 Ca 0.19 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2kpo h LYS 47 Cb 0.32 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 2kpo h LYS 47 CO -0.00 -0.30 0.14 0.39 -0.57 0.00 0.00 179.45 179.11 2kpo n GLU 48 N -4.30 1.34 0.27 3.15 -0.58 -1.25 -4.29 120.64 114.99 2kpo n GLU 48 Ca -0.05 -0.70 0.13 0.00 -0.42 0.00 0.00 57.16 56.11 2kpo n GLU 48 Cb 0.25 -1.31 0.68 0.00 -0.57 0.00 0.00 31.44 30.49 2kpo n GLU 48 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kpo h SER 49 N 0.29 0.00 -0.56 1.62 0.87 -1.29 0.15 113.55 114.63 2kpo h SER 49 Ca 0.14 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2kpo h SER 49 Cb 1.39 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.30 2kpo h SER 49 CO 0.25 0.00 0.32 1.56 -0.53 0.00 0.00 176.83 178.43 2kpo h GLN 50 N 0.00 0.61 0.00 2.24 1.08 -1.84 -3.34 115.11 113.86 2kpo h GLN 50 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2kpo h GLN 50 Cb 0.59 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2kpo h GLN 50 CO 0.00 0.40 0.00 0.09 -0.95 0.00 0.00 178.83 178.37 2kpo n ASN 51 N -4.80 0.89 -4.89 1.46 3.02 -0.11 -5.09 115.26 105.74 2kpo n ASN 51 Ca 0.05 -1.44 -0.31 0.00 -0.03 0.00 0.00 54.58 52.85 2kpo n ASN 51 Cb 0.11 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 2kpo n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kpo s ILE 52 N -0.44 5.09 -0.05 2.41 2.07 0.33 -0.04 121.20 130.56 2kpo s ILE 52 Ca 0.00 0.12 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 2kpo s ILE 52 Cb 0.00 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.98 2kpo s ILE 52 CO 0.00 -0.06 0.08 -0.54 -1.91 0.00 0.00 174.94 172.51 2kpo s LYS 53 N -2.88 -0.06 -0.27 3.50 -0.14 0.10 -4.73 119.74 115.26 2kpo s LYS 53 Ca 0.43 0.39 -0.07 0.00 -1.36 0.00 0.00 55.97 55.36 2kpo s LYS 53 Cb -0.12 -0.53 -0.01 0.00 -1.68 0.00 0.00 37.83 35.50 2kpo s LYS 53 CO 0.25 -0.34 0.07 0.08 -0.76 0.00 0.00 175.35 174.65 2kpo s VAL 54 N 2.19 4.09 -0.30 3.17 1.01 -0.64 -1.95 120.40 127.97 2kpo s VAL 54 Ca 0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2kpo s VAL 54 Cb -0.12 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2kpo s VAL 54 CO -0.04 0.20 0.62 -0.22 0.00 0.00 0.00 175.10 175.66 2kpo s LEU 55 N 1.55 4.13 -0.19 3.92 2.96 0.65 0.75 118.68 132.46 2kpo s LEU 55 Ca 0.04 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 2kpo s LEU 55 Cb -0.16 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 2kpo s LEU 55 CO 0.03 -0.45 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.90 2kpo s ILE 56 N 2.57 3.26 -0.25 6.68 1.01 0.21 0.25 121.20 134.92 2kpo s ILE 56 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 2kpo s ILE 56 Cb -0.15 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2kpo s ILE 56 CO 0.11 0.46 -0.02 -0.76 0.00 0.00 0.00 174.94 174.74 2kpo s LEU 57 N 1.10 3.28 0.24 2.97 2.01 -0.17 -0.72 118.68 127.39 2kpo s LEU 57 Ca 0.01 -0.68 0.08 0.00 0.01 0.00 0.00 54.13 53.55 2kpo s LEU 57 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.27 2kpo s LEU 57 CO -0.01 -0.11 0.03 0.68 1.01 0.00 0.00 176.35 177.95 2kpo s VAL 58 N 1.42 3.70 -0.11 -1.59 -7.23 -0.21 -0.10 120.40 116.28 2kpo s VAL 58 Ca 0.03 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 2kpo s VAL 58 Cb -0.16 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 33.72 2kpo s VAL 58 CO -0.02 -0.30 0.35 -1.28 -0.31 0.00 0.00 175.10 173.54 2kpo h SER 59 N 2.04 -0.01 -1.83 4.85 0.87 -1.67 0.24 113.55 118.04 2kpo h SER 59 Ca -0.46 -0.42 -0.51 0.00 -1.23 0.00 0.00 61.79 59.17 2kpo h SER 59 Cb 1.23 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 2kpo h SER 59 CO 0.60 0.70 -0.47 0.20 -0.53 0.00 0.00 176.83 177.32 2kpo s ASN 60 N -5.82 5.05 0.29 6.23 0.01 -1.26 -4.51 114.94 114.93 2kpo s ASN 60 Ca -0.08 -0.62 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 2kpo s ASN 60 Cb -0.01 -0.85 0.44 0.00 0.41 0.00 0.00 41.25 41.24 2kpo s ASN 60 CO 0.30 -0.36 1.75 0.44 -1.51 0.00 0.00 177.10 177.71 2kpo h ASP 61 N 1.33 0.49 -0.43 -1.22 3.32 -1.99 -1.32 116.42 116.60 2kpo h ASP 61 Ca -0.44 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.50 2kpo h ASP 61 Cb 1.25 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 2kpo h ASP 61 CO 0.60 0.71 0.21 -0.08 -1.72 0.00 0.00 179.24 178.95 2kpo h GLU 62 N 0.44 0.40 -0.81 3.56 4.57 -2.00 -1.23 114.58 119.52 2kpo h GLU 62 Ca 0.07 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2kpo h GLU 62 Cb 0.61 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 2kpo h GLU 62 CO 0.04 0.27 0.54 0.93 -1.18 0.00 0.00 179.01 179.61 2kpo h GLU 63 N 0.41 1.07 -0.59 1.92 4.39 -1.88 -2.10 114.58 117.80 2kpo h GLU 63 Ca 0.19 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.93 2kpo h GLU 63 Cb 0.11 -0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 28.44 2kpo h GLU 63 CO -0.14 0.71 0.18 1.25 -1.16 0.00 0.00 179.01 179.84 2kpo h LEU 64 N 1.10 0.12 0.50 1.33 5.85 -0.52 0.10 115.31 123.79 2kpo h LEU 64 Ca 0.30 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 2kpo h LEU 64 Cb -0.13 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kpo h LEU 64 CO -0.07 0.07 -0.24 0.44 -0.34 0.00 0.00 178.44 178.31 2kpo h ASP 65 N 0.33 -0.57 -0.78 1.25 3.32 -0.88 -2.62 116.42 116.47 2kpo h ASP 65 Ca 0.30 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.40 2kpo h ASP 65 Cb 0.41 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 2kpo h ASP 65 CO -0.35 -0.33 0.51 0.11 -1.72 0.00 0.00 179.24 177.47 2kpo h LYS 66 N -0.78 0.78 0.31 3.56 1.79 -1.01 0.20 116.57 121.42 2kpo h LYS 66 Ca -0.07 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2kpo h LYS 66 Cb 0.56 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2kpo h LYS 66 CO 0.11 0.51 -0.15 0.00 -1.08 0.00 0.00 179.45 178.85 2kpo h ALA 67 N 1.59 -0.42 -0.19 3.86 0.00 -0.77 -1.92 119.26 121.40 2kpo h ALA 67 Ca 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2kpo h ALA 67 Cb 0.30 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kpo h ALA 67 CO -0.12 -0.60 -0.07 1.57 0.00 0.00 0.00 179.25 180.03 2kpo h LYS 68 N -0.70 0.29 0.62 0.00 2.10 -1.28 -2.99 116.57 114.62 2kpo h LYS 68 Ca -0.04 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 2kpo h LYS 68 Cb 0.48 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2kpo h LYS 68 CO 0.07 0.38 -0.45 1.49 -2.00 0.00 0.00 179.45 178.95 2kpo h GLU 69 N 0.28 -0.99 -0.65 0.07 4.81 -0.45 -1.35 114.58 116.31 2kpo h GLU 69 Ca 0.06 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 2kpo h GLU 69 Cb 0.31 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 2kpo h GLU 69 CO 0.01 -0.66 0.27 -0.07 -0.73 0.00 0.00 179.01 177.84 2kpo h LEU 70 N -1.02 0.31 -0.65 1.64 3.38 -1.34 0.19 115.31 117.81 2kpo h LEU 70 Ca -0.08 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2kpo h LEU 70 Cb 0.84 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 2kpo h LEU 70 CO 0.04 0.17 0.33 0.00 0.09 0.00 0.00 178.44 179.07 2kpo h ALA 71 N 1.43 0.88 -0.11 1.53 0.00 -1.37 0.25 119.26 121.87 2kpo h ALA 71 Ca 0.33 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 2kpo h ALA 71 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kpo h ALA 71 CO -0.30 -0.04 -0.63 1.96 0.00 0.00 0.00 179.25 180.23 2kpo h GLN 72 N 0.59 0.41 0.00 0.00 4.20 -0.44 0.12 115.11 119.99 2kpo h GLN 72 Ca 0.31 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kpo h GLN 72 Cb 0.28 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2kpo h GLN 72 CO -0.23 0.91 0.00 0.87 -0.67 0.00 0.00 178.83 179.71 2kpo h LYS 73 N 0.30 0.00 -0.07 1.46 1.57 0.17 -3.08 116.57 116.92 2kpo h LYS 73 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kpo h LYS 73 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kpo h LYS 73 CO 0.11 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.66 2kpo n MET 74 N -2.88 0.99 -3.11 3.15 2.81 0.82 -5.05 117.12 113.86 2kpo n MET 74 Ca 0.02 -1.21 -0.02 0.00 -1.81 0.00 0.00 57.70 54.68 2kpo n MET 74 Cb 0.35 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 2kpo n MET 74 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2kpo n GLU 75 N 0.22 -1.34 -4.10 0.03 -0.58 0.18 -4.95 120.64 110.10 2kpo n GLU 75 Ca 0.04 1.45 -0.14 0.00 -0.42 0.00 0.00 57.16 58.09 2kpo n GLU 75 Cb 0.22 -5.52 -0.12 0.00 -0.57 0.00 0.00 31.44 25.45 2kpo n GLU 75 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kpo s ILE 76 N -3.00 0.64 -0.30 -3.67 1.01 0.14 -4.94 121.20 111.08 2kpo s ILE 76 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 2kpo s ILE 76 Cb -0.00 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.81 2kpo s ILE 76 CO 0.76 -0.28 1.19 -1.81 0.00 0.00 0.00 174.94 174.79 2kpo s ASP 77 N -1.41 6.82 0.08 3.58 1.11 -1.26 -4.70 116.67 120.89 2kpo s ASP 77 Ca -0.07 1.17 -0.01 0.00 0.18 0.00 0.00 52.55 53.82 2kpo s ASP 77 Cb -0.09 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 2kpo s ASP 77 CO 0.01 -0.95 -0.01 0.68 1.18 0.00 0.00 175.17 176.08 2kpo s VAL 78 N 3.94 0.25 -0.43 -1.27 -7.23 -1.26 -1.63 120.40 112.77 2kpo s VAL 78 Ca 0.51 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 2kpo s VAL 78 Cb -0.15 -1.72 0.14 0.00 0.56 0.00 0.00 36.38 35.21 2kpo s VAL 78 CO 0.19 -0.80 0.26 -0.60 -0.31 0.00 0.00 175.10 173.83 2kpo s ARG 79 N -3.95 1.15 -0.21 4.82 6.06 0.23 -4.86 118.95 122.18 2kpo s ARG 79 Ca 0.13 -1.94 -0.14 0.00 -2.50 0.00 0.00 55.73 51.28 2kpo s ARG 79 Cb 0.08 -2.06 -0.04 0.00 0.06 0.00 0.00 34.95 32.98 2kpo s ARG 79 CO -0.05 -1.21 0.30 0.99 -2.50 0.00 0.00 175.30 172.83 2kpo s THR 80 N 0.37 5.27 0.09 4.11 2.01 -1.26 -0.62 115.64 125.60 2kpo s THR 80 Ca 0.20 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.71 2kpo s THR 80 Cb -0.20 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2kpo s THR 80 CO -0.03 0.30 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.01 2kpo s ARG 81 N 1.14 0.77 -0.20 4.92 1.81 0.10 -4.97 118.95 122.52 2kpo s ARG 81 Ca 0.15 -1.30 -0.06 0.00 -1.72 0.00 0.00 55.73 52.80 2kpo s ARG 81 Cb -0.14 -0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.22 2kpo s ARG 81 CO 0.06 -0.04 0.03 0.21 -0.68 0.00 0.00 175.30 174.89 2kpo s LYS 82 N -3.82 3.75 -0.07 3.54 2.20 -1.26 -1.04 119.74 123.03 2kpo s LYS 82 Ca 0.10 -0.45 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 2kpo s LYS 82 Cb 0.06 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 2kpo s LYS 82 CO -0.06 0.08 -0.24 0.14 -0.36 0.00 0.00 175.35 174.91 2kpo s VAL 83 N 0.87 2.00 -0.04 4.02 -7.23 0.85 -4.91 120.40 115.96 2kpo s VAL 83 Ca 0.02 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2kpo s VAL 83 Cb -0.14 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2kpo s VAL 83 CO 0.02 0.55 -0.02 0.35 -0.31 0.00 0.00 175.10 175.70 2kpo n THR 84 N 3.15 0.25 -3.88 5.32 -2.24 -1.26 -4.24 114.28 111.38 2kpo n THR 84 Ca -0.18 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 2kpo n THR 84 Cb 0.52 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 2kpo n THR 84 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kpo s SER 85 N -4.01 6.40 0.33 3.42 0.01 -1.26 -5.02 113.70 113.57 2kpo s SER 85 Ca -0.04 0.41 0.06 0.00 1.31 0.00 0.00 55.95 57.68 2kpo s SER 85 Cb 0.01 -2.03 0.72 0.00 0.21 0.00 0.00 66.02 64.93 2kpo s SER 85 CO 0.12 0.29 1.88 -0.65 0.41 0.00 0.00 173.24 175.28 2kpo h PRO 86 N 4.04 0.78 -0.99 12.44 0.11 -1.94 -1.37 132.00 145.08 2kpo h PRO 86 Ca -0.50 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 65.69 2kpo h PRO 86 Cb 1.20 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.05 2kpo h PRO 86 CO 0.67 0.52 0.62 0.22 -0.21 0.00 0.00 178.00 179.82 2kpo h ASP 87 N 0.81 0.87 0.30 -2.05 3.58 -1.95 -1.77 116.42 116.21 2kpo h ASP 87 Ca 0.43 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2kpo h ASP 87 Cb 0.55 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2kpo h ASP 87 CO -0.20 0.44 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.85 2kpo h GLU 88 N 0.92 -0.76 -0.59 0.28 4.39 -1.66 -0.29 114.58 116.88 2kpo h GLU 88 Ca 0.50 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.30 2kpo h GLU 88 Cb 0.57 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 2kpo h GLU 88 CO -0.27 -0.50 0.31 0.00 -1.16 0.00 0.00 179.01 177.39 2kpo h ALA 89 N -0.41 0.77 -0.51 3.43 0.00 -1.54 -1.50 119.26 119.51 2kpo h ALA 89 Ca -0.02 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2kpo h ALA 89 Cb 0.74 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2kpo h ALA 89 CO -0.14 -0.02 0.07 0.87 0.00 0.00 0.00 179.25 180.02 2kpo h LYS 90 N 0.59 0.19 0.20 0.00 1.57 -1.01 -1.63 116.57 116.48 2kpo h LYS 90 Ca 0.26 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2kpo h LYS 90 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2kpo h LYS 90 CO -0.17 0.12 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.64 2kpo h ARG 91 N 0.19 -0.26 -0.78 3.15 2.43 -0.42 -2.77 114.38 115.92 2kpo h ARG 91 Ca 0.26 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 2kpo h ARG 91 Cb 0.37 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2kpo h ARG 91 CO -0.37 -0.05 0.51 -1.49 -1.51 0.00 0.00 179.97 177.07 2kpo h TRP 92 N -0.43 0.91 -0.71 2.20 4.06 -1.06 1.00 115.95 121.91 2kpo h TRP 92 Ca -0.03 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2kpo h TRP 92 Cb 0.33 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.15 2kpo h TRP 92 CO -0.02 0.51 0.43 0.82 -3.56 0.00 0.00 178.44 176.63 2kpo h ILE 93 N 0.93 1.20 0.50 1.49 2.04 -1.25 -0.27 117.51 122.15 2kpo h ILE 93 Ca 0.32 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2kpo h ILE 93 Cb 0.10 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2kpo h ILE 93 CO -0.10 0.21 -0.24 0.50 0.00 0.00 0.00 178.15 178.52 2kpo h LYS 94 N 0.97 -0.64 -0.30 2.37 3.64 -0.88 -2.67 116.57 119.05 2kpo h LYS 94 Ca 0.26 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 2kpo h LYS 94 Cb -0.03 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 2kpo h LYS 94 CO -0.05 -0.34 -0.24 0.93 -2.27 0.00 0.00 179.45 177.48 2kpo h GLU 95 N -0.90 -0.21 -0.63 1.90 4.39 -0.79 -2.19 114.58 116.16 2kpo h GLU 95 Ca -0.07 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2kpo h GLU 95 Cb 0.60 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2kpo h GLU 95 CO 0.11 -0.14 0.38 0.35 -1.16 0.00 0.00 179.01 178.56 2kpo h PHE 96 N -0.22 0.72 0.00 4.33 3.04 -1.11 0.14 116.94 123.84 2kpo h PHE 96 Ca 0.16 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 2kpo h PHE 96 Cb 0.46 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 2kpo h PHE 96 CO -0.43 0.41 -0.11 0.66 -2.02 0.00 0.00 178.31 176.82 2kpo h SER 97 N 0.75 0.00 1.05 0.41 4.64 -1.08 -0.77 113.55 118.56 2kpo h SER 97 Ca 0.26 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 2kpo h SER 97 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2kpo h SER 97 CO -0.11 0.11 -1.01 -0.33 -0.87 0.00 0.00 176.83 174.62 2kpo h GLU 98 N 0.00 0.00 -0.03 4.77 5.08 -0.57 -3.34 114.58 120.49 2kpo h GLU 98 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kpo h GLU 98 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kpo h GLU 98 CO 0.01 0.41 -0.02 0.93 -1.00 0.00 0.00 179.01 179.35 2kpo h GLU 99 N 0.00 0.06 0.00 2.33 5.08 0.24 -3.46 114.58 118.83 2kpo h GLU 99 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2kpo h GLU 99 Cb 1.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2kpo h GLU 99 CO 0.06 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 178.95 2kpo n GLY 100 N 0.06 0.61 0.00 -3.84 0.00 -0.39 -4.65 105.19 96.97 2kpo n GLY 100 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2kpo n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpo n GLY 101 N 0.00 3.92 3.56 -0.02 0.00 -1.26 -4.86 105.19 106.53 2kpo n GLY 101 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2kpo n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kpo s SER 102 N 1.47 5.65 -0.05 1.61 1.04 -1.26 -4.82 113.70 117.33 2kpo s SER 102 Ca 0.00 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.57 2kpo s SER 102 Cb 0.00 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 2kpo s SER 102 CO 0.00 -2.27 0.00 -0.07 0.98 0.00 0.00 173.24 171.88 2kpo h LEU 103 N 15.88 -0.00 -8.67 2.42 3.38 -1.98 -3.44 115.31 122.90 2kpo h LEU 103 Ca 0.09 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.54 2kpo h LEU 103 Cb 1.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2kpo h LEU 103 CO 1.29 0.26 1.35 -1.61 0.09 0.00 0.00 178.44 179.81 2kpo s GLU 104 N -1.29 2.89 -0.02 1.13 2.02 -1.26 -4.82 118.70 117.36 2kpo s GLU 104 Ca -0.00 1.05 -0.12 0.00 0.02 0.00 0.00 54.97 55.92 2kpo s GLU 104 Cb 0.00 -4.32 -0.32 0.00 0.10 0.00 0.00 34.13 29.59 2kpo s GLU 104 CO 0.00 -2.40 0.80 1.25 0.02 0.00 0.00 175.26 174.93 2kpo h HIS 105 N 14.47 0.78 0.00 1.61 2.76 -2.03 -3.47 115.15 129.27 2kpo h HIS 105 Ca -0.29 -0.57 0.00 0.00 -2.20 0.00 0.00 60.37 57.31 2kpo h HIS 105 Cb 1.17 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2kpo h HIS 105 CO 1.00 1.61 0.00 1.58 -1.30 0.00 0.00 177.93 180.82 2kpo n HIS 106 N -3.62 0.00 -1.55 5.26 -0.00 -1.26 -4.88 115.22 109.18 2kpo n HIS 106 Ca -0.21 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.16 2kpo n HIS 106 Cb 1.08 -0.97 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 2kpo n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kpo n HIS 107 N -2.00 1.40 -2.20 1.57 -0.00 -1.26 -4.95 115.22 107.79 2kpo n HIS 107 Ca 0.00 0.11 -0.26 0.00 0.46 0.00 0.00 57.72 58.03 2kpo n HIS 107 Cb 0.00 -2.63 0.09 0.00 -0.12 0.00 0.00 29.99 27.33 2kpo n HIS 107 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kpo s HIS 108 N 12.41 2.56 0.32 1.57 3.76 -1.26 -5.12 115.29 129.52 2kpo s HIS 108 Ca 0.98 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 56.27 2kpo s HIS 108 Cb -0.18 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 30.14 2kpo s HIS 108 CO 0.25 -1.65 0.09 -3.38 -0.85 0.00 0.00 174.74 169.21 2kpo s HIS 109 N -3.34 1.77 -0.68 1.40 -3.43 -1.26 -5.31 115.29 104.45 2kpo s HIS 109 Ca 0.63 -1.12 0.05 0.00 -0.80 0.00 0.00 55.06 53.82 2kpo s HIS 109 Cb -0.09 -1.11 0.04 0.00 -1.43 0.00 0.00 32.58 29.99 2kpo s HIS 109 CO 0.46 -0.20 0.67 -2.39 -2.00 0.00 0.00 174.74 171.28