#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 4.30 -0.19 -0.89 1.02 0.12 -5.01 118.68 118.03 2kpo s LEU 2 Ca 0.00 1.32 -0.00 0.00 0.02 0.00 0.00 54.13 55.47 2kpo s LEU 2 Cb 0.00 -3.26 0.05 0.00 0.02 0.00 0.00 46.19 42.99 2kpo s LEU 2 CO 0.00 -0.23 -0.06 -0.76 0.02 0.00 0.00 176.35 175.32 2kpo s LEU 3 N 1.20 1.95 0.24 1.79 1.43 -1.26 -0.87 118.68 123.16 2kpo s LEU 3 Ca 0.42 -0.84 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2kpo s LEU 3 Cb -0.18 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2kpo s LEU 3 CO 0.19 -0.19 -0.12 -0.31 0.23 0.00 0.00 176.35 176.15 2kpo s TYR 4 N 1.54 2.50 -0.06 0.29 1.51 -0.24 -3.71 117.35 119.18 2kpo s TYR 4 Ca -0.01 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2kpo s TYR 4 Cb -0.16 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2kpo s TYR 4 CO -0.07 0.60 -0.05 0.08 -1.11 0.00 0.00 175.55 175.00 2kpo s VAL 5 N -2.12 0.62 -0.15 0.71 1.01 0.38 -0.51 120.40 120.34 2kpo s VAL 5 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2kpo s VAL 5 Cb -0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2kpo s VAL 5 CO 0.16 0.26 -0.08 -0.76 0.00 0.00 0.00 175.10 174.68 2kpo s LEU 6 N 1.23 2.96 -0.22 3.92 1.43 0.84 -0.79 118.68 128.05 2kpo s LEU 6 Ca -0.06 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2kpo s LEU 6 Cb -0.14 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2kpo s LEU 6 CO -0.02 0.14 -0.08 -0.51 0.23 0.00 0.00 176.35 176.12 2kpo s ILE 7 N 0.50 3.03 -0.44 -0.59 2.07 -0.90 -0.87 121.20 124.00 2kpo s ILE 7 Ca -0.06 -0.67 -0.10 0.00 -1.41 0.00 0.00 60.65 58.40 2kpo s ILE 7 Cb -0.15 -2.39 0.08 0.00 0.13 0.00 0.00 42.46 40.14 2kpo s ILE 7 CO 0.03 0.41 0.30 -0.63 -1.91 0.00 0.00 174.94 173.14 2kpo s ILE 8 N 1.42 4.40 0.11 2.00 1.01 0.41 -0.77 121.20 129.77 2kpo s ILE 8 Ca 0.05 -1.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.05 2kpo s ILE 8 Cb -0.14 -3.71 0.08 0.00 0.01 0.00 0.00 42.46 38.69 2kpo s ILE 8 CO -0.05 -0.56 0.66 -0.55 0.00 0.00 0.00 174.94 174.43 2kpo s SER 9 N 2.29 -0.54 0.00 3.58 0.15 -1.24 -2.73 113.70 115.20 2kpo s SER 9 Ca 0.03 0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.89 2kpo s SER 9 Cb -0.24 0.56 -0.10 0.00 -1.71 0.00 0.00 66.02 64.53 2kpo s SER 9 CO 0.02 -0.88 0.71 0.59 1.20 0.00 0.00 173.24 174.89 2kpo n ASN 10 N -0.25 1.06 -4.50 5.45 4.13 -1.26 -4.84 115.26 115.04 2kpo n ASN 10 Ca -0.16 -1.03 -0.43 0.00 1.68 0.00 0.00 54.58 54.65 2kpo n ASN 10 Cb 0.64 0.79 -0.04 0.00 -1.54 0.00 0.00 39.78 39.63 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2kpo s ASP 11 N -2.18 6.29 0.16 6.41 1.01 -1.26 -4.94 116.67 122.15 2kpo s ASP 11 Ca 0.09 -0.54 -0.16 0.00 0.71 0.00 0.00 52.55 52.65 2kpo s ASP 11 Cb 0.12 -2.43 0.08 0.00 1.01 0.00 0.00 42.92 41.69 2kpo s ASP 11 CO 0.52 -1.29 1.75 0.11 0.21 0.00 0.00 175.17 176.47 2kpo h LYS 12 N 9.39 0.29 -0.34 8.23 1.79 -1.99 -1.92 116.57 132.02 2kpo h LYS 12 Ca -0.27 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 2kpo h LYS 12 Cb 1.07 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 2kpo h LYS 12 CO 1.12 0.19 0.12 0.87 -1.08 0.00 0.00 179.45 180.66 2kpo h LYS 13 N 0.30 0.48 -0.44 3.15 1.79 -1.99 0.13 116.57 119.99 2kpo h LYS 13 Ca 0.18 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 2kpo h LYS 13 Cb 0.15 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2kpo h LYS 13 CO -0.18 0.42 -0.17 1.25 -1.08 0.00 0.00 179.45 179.69 2kpo h LEU 14 N 0.48 0.91 -0.61 2.94 6.46 -1.85 -1.76 115.31 121.89 2kpo h LEU 14 Ca 0.12 -0.39 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 2kpo h LEU 14 Cb 0.13 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2kpo h LEU 14 CO -0.01 1.10 0.24 0.40 -0.62 0.00 0.00 178.44 179.55 2kpo h ILE 15 N 0.72 1.23 -0.04 4.05 2.04 -0.55 -2.27 117.51 122.69 2kpo h ILE 15 Ca 0.10 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2kpo h ILE 15 Cb 0.73 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2kpo h ILE 15 CO 0.06 0.28 -0.05 -0.33 0.00 0.00 0.00 178.15 178.11 2kpo h GLU 16 N 0.85 -0.07 -0.60 2.37 5.08 -0.67 -1.30 114.58 120.23 2kpo h GLU 16 Ca 0.20 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2kpo h GLU 16 Cb 0.20 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2kpo h GLU 16 CO -0.02 -0.05 0.22 0.93 -1.00 0.00 0.00 179.01 179.09 2kpo h GLU 17 N -0.07 0.38 0.12 2.33 4.39 -1.23 -1.14 114.58 119.35 2kpo h GLU 17 Ca 0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2kpo h GLU 17 Cb 0.12 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2kpo h GLU 17 CO -0.08 0.25 -0.06 0.00 -1.16 0.00 0.00 179.01 177.96 2kpo h ALA 18 N 1.42 -0.16 -0.45 3.43 0.00 -1.12 -2.77 119.26 119.61 2kpo h ALA 18 Ca 0.30 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2kpo h ALA 18 Cb 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2kpo h ALA 18 CO -0.31 -0.57 0.28 0.00 0.00 0.00 0.00 179.25 178.65 2kpo h ARG 19 N -0.21 0.55 -0.88 0.00 3.08 -0.94 -1.00 114.38 114.98 2kpo h ARG 19 Ca -0.02 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.13 2kpo h ARG 19 Cb 0.16 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 2kpo h ARG 19 CO 0.03 0.36 0.57 0.87 -1.07 0.00 0.00 179.97 180.73 2kpo h LYS 20 N 0.57 0.70 -0.03 0.04 1.57 -1.16 -1.90 116.57 116.36 2kpo h LYS 20 Ca 0.17 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 2kpo h LYS 20 Cb -0.02 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.14 2kpo h LYS 20 CO -0.06 0.46 -0.57 0.52 -0.57 0.00 0.00 179.45 179.24 2kpo h MET 21 N 0.72 0.44 -0.81 3.15 2.86 -1.14 -3.29 114.93 116.86 2kpo h MET 21 Ca 0.43 -0.43 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 2kpo h MET 21 Cb 0.65 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 2kpo h MET 21 CO -0.20 1.08 0.54 0.00 1.06 0.00 0.00 176.91 179.39 2kpo h ALA 22 N 0.37 2.09 -0.64 6.32 0.00 -0.44 -0.58 119.26 126.37 2kpo h ALA 22 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kpo h ALA 22 Cb 1.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2kpo h ALA 22 CO 0.11 -0.32 0.24 0.93 0.00 0.00 0.00 179.25 180.22 2kpo h GLU 23 N 0.46 0.95 -0.01 0.00 5.08 -1.46 0.18 114.58 119.78 2kpo h GLU 23 Ca 0.41 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.41 2kpo h GLU 23 Cb 0.90 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2kpo h GLU 23 CO -0.15 0.79 -0.85 0.87 -1.00 0.00 0.00 179.01 178.67 2kpo h LYS 24 N 0.93 0.23 0.00 2.33 6.56 -1.27 -3.21 116.57 122.14 2kpo h LYS 24 Ca 0.22 -0.24 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2kpo h LYS 24 Cb 0.20 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2kpo h LYS 24 CO -0.02 0.95 0.00 0.00 -2.06 0.00 0.00 179.45 178.33 2kpo h ALA 25 N 0.96 1.00 -1.46 3.86 0.00 -0.66 -3.47 119.26 119.49 2kpo h ALA 25 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2kpo h ALA 25 Cb 1.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2kpo h ALA 25 CO 0.13 0.00 -0.28 -1.71 0.00 0.00 0.00 179.25 177.40 2kpo n ASN 26 N -2.79 -3.72 -4.90 0.00 4.05 0.57 -4.96 115.26 103.51 2kpo n ASN 26 Ca 0.03 0.02 -0.27 0.00 0.45 0.00 0.00 54.58 54.81 2kpo n ASN 26 Cb 0.39 -2.86 -0.04 0.00 1.23 0.00 0.00 39.78 38.50 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kpo s LEU 27 N -3.13 4.18 -0.51 1.20 1.43 -0.93 -5.05 118.68 115.86 2kpo s LEU 27 Ca 0.00 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.97 2kpo s LEU 27 Cb 0.00 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.49 2kpo s LEU 27 CO 0.00 0.08 0.85 -0.70 0.23 0.00 0.00 176.35 176.81 2kpo s GLU 28 N -3.07 3.32 -0.25 1.70 2.56 -1.24 -4.68 118.70 117.05 2kpo s GLU 28 Ca 0.33 -0.31 -0.08 0.00 0.00 0.00 0.00 54.97 54.91 2kpo s GLU 28 Cb -0.11 -4.03 -0.04 0.00 2.00 0.00 0.00 34.13 31.96 2kpo s GLU 28 CO 0.27 -1.34 0.10 -1.17 -0.56 0.00 0.00 175.26 172.56 2kpo s LEU 29 N 3.56 3.67 -0.09 2.70 0.20 -1.26 -0.47 118.68 126.99 2kpo s LEU 29 Ca 0.28 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.03 2kpo s LEU 29 Cb -0.13 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2kpo s LEU 29 CO 0.19 -0.00 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.94 2kpo s ARG 30 N 1.43 2.88 -0.22 1.98 1.81 0.03 -5.00 118.95 121.86 2kpo s ARG 30 Ca 0.06 -0.77 -0.24 0.00 -1.72 0.00 0.00 55.73 53.06 2kpo s ARG 30 Cb -0.15 -2.40 -0.01 0.00 -0.45 0.00 0.00 34.95 31.94 2kpo s ARG 30 CO 0.05 0.37 0.80 0.95 -0.68 0.00 0.00 175.30 176.79 2kpo s THR 31 N -0.08 4.87 -0.23 0.02 -4.23 -1.26 -2.11 115.64 112.62 2kpo s THR 31 Ca -0.04 1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 61.90 2kpo s THR 31 Cb -0.14 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.56 2kpo s THR 31 CO 0.04 -0.03 0.13 -0.69 -0.54 0.00 0.00 174.62 173.53 2kpo s VAL 32 N 2.57 5.15 -0.23 2.29 1.01 0.05 -4.95 120.40 126.28 2kpo s VAL 32 Ca 0.35 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2kpo s VAL 32 Cb -0.16 -3.38 -0.19 0.00 0.00 0.00 0.00 36.38 32.65 2kpo s VAL 32 CO 0.09 0.37 -0.11 0.29 0.00 0.00 0.00 175.10 175.75 2kpo n LYS 33 N 4.15 0.67 -4.26 2.72 5.02 -1.26 -3.68 118.16 121.51 2kpo n LYS 33 Ca -0.15 0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 2kpo n LYS 33 Cb 0.52 -1.55 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.52 0.02 0.21 -0.18 -4.23 -1.26 -4.93 115.64 102.75 2kpo s THR 34 Ca -0.30 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.12 2kpo s THR 34 Cb 0.08 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.58 2kpo s THR 34 CO 0.65 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.39 2kpo h GLU 35 N 2.28 0.37 -0.49 3.99 4.57 -2.00 -1.71 114.58 121.59 2kpo h GLU 35 Ca -0.29 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 2kpo h GLU 35 Cb 1.24 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 2kpo h GLU 35 CO 0.42 0.24 0.23 0.22 -1.18 0.00 0.00 179.01 178.94 2kpo h ASP 36 N 0.38 0.64 -0.45 1.04 1.82 -1.99 -2.09 116.42 115.78 2kpo h ASP 36 Ca 0.32 -0.14 0.05 0.00 -0.39 0.00 0.00 57.03 56.88 2kpo h ASP 36 Cb 0.43 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 2kpo h ASP 36 CO -0.34 0.60 0.17 -0.33 -1.61 0.00 0.00 179.24 177.73 2kpo h GLU 37 N 0.64 0.34 -0.05 0.28 4.39 -1.83 0.88 114.58 119.23 2kpo h GLU 37 Ca 0.17 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.88 2kpo h GLU 37 Cb 0.13 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2kpo h GLU 37 CO -0.02 0.22 -0.15 1.25 -1.16 0.00 0.00 179.01 179.15 2kpo h LEU 38 N 0.35 -0.46 -0.87 1.33 7.12 -1.08 -1.63 115.31 120.07 2kpo h LEU 38 Ca 0.21 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.36 2kpo h LEU 38 Cb 0.19 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 2kpo h LEU 38 CO -0.20 -0.21 0.54 0.50 -0.13 0.00 0.00 178.44 178.94 2kpo h LYS 39 N -0.23 0.93 -0.02 1.25 3.64 -1.01 -1.57 116.57 119.56 2kpo h LYS 39 Ca 0.07 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2kpo h LYS 39 Cb 0.32 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2kpo h LYS 39 CO -0.18 0.62 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.24 2kpo h LYS 40 N 0.96 -0.24 -0.24 1.90 3.64 -0.24 -1.30 116.57 121.06 2kpo h LYS 40 Ca 0.39 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.73 2kpo h LYS 40 Cb 0.22 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2kpo h LYS 40 CO -0.19 -0.16 -0.09 1.88 -2.27 0.00 0.00 179.45 178.62 2kpo h TYR 41 N -0.25 0.39 -0.72 1.91 0.05 -1.00 -2.35 116.97 115.00 2kpo h TYR 41 Ca 0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2kpo h TYR 41 Cb 0.32 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2kpo h TYR 41 CO -0.22 0.47 0.37 -0.07 -1.05 0.00 0.00 178.16 177.66 2kpo h LEU 42 N 0.36 0.93 -1.04 3.88 3.38 -0.84 -2.30 115.31 119.67 2kpo h LEU 42 Ca 0.07 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.05 2kpo h LEU 42 Cb 0.39 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 2kpo h LEU 42 CO 0.02 0.78 0.62 -0.33 0.09 0.00 0.00 178.44 179.63 2kpo h GLU 43 N 1.01 0.91 -0.72 1.13 4.39 -0.70 0.20 114.58 120.80 2kpo h GLU 43 Ca 0.25 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2kpo h GLU 43 Cb 0.08 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2kpo h GLU 43 CO -0.04 0.60 0.39 1.49 -1.16 0.00 0.00 179.01 180.30 2kpo h GLU 44 N 0.94 1.01 0.00 2.33 4.81 -1.28 -3.12 114.58 119.28 2kpo h GLU 44 Ca 0.50 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.44 2kpo h GLU 44 Cb 0.56 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2kpo h GLU 44 CO -0.27 0.76 -0.81 0.74 -0.73 0.00 0.00 179.01 178.70 2kpo h PHE 45 N 0.99 0.04 -0.49 0.92 0.05 -0.55 -3.22 116.94 114.68 2kpo h PHE 45 Ca 0.25 -0.02 0.12 0.00 3.82 0.00 0.00 57.97 62.14 2kpo h PHE 45 Cb 0.05 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 2kpo h PHE 45 CO -0.00 0.82 0.34 0.00 -0.18 0.00 0.00 178.31 179.29 2kpo h ARG 46 N 0.01 0.11 -0.43 1.51 3.08 -0.61 -0.62 114.38 117.43 2kpo h ARG 46 Ca -0.01 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 2kpo h ARG 46 Cb 1.42 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.40 2kpo h ARG 46 CO 0.11 0.07 0.16 0.87 -1.07 0.00 0.00 179.97 180.10 2kpo h LYS 47 N 0.11 0.32 -0.78 0.04 1.57 -1.65 -2.81 116.57 113.37 2kpo h LYS 47 Ca 0.23 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.64 2kpo h LYS 47 Cb 0.76 -0.07 -0.21 0.00 0.08 0.00 0.00 32.23 32.80 2kpo h LYS 47 CO -0.03 0.21 0.39 0.39 -0.57 0.00 0.00 179.45 179.84 2kpo n GLU 48 N -5.00 2.68 -1.02 3.15 -0.58 -0.30 -4.86 120.64 114.71 2kpo n GLU 48 Ca 0.03 -3.06 -0.42 0.00 -0.42 0.00 0.00 57.16 53.29 2kpo n GLU 48 Cb 0.16 -2.12 -0.06 0.00 -0.57 0.00 0.00 31.44 28.85 2kpo n GLU 48 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kpo n SER 49 N -0.81 2.42 0.15 1.62 2.88 -0.84 -3.59 113.62 115.46 2kpo n SER 49 Ca 0.48 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 2kpo n SER 49 Cb 1.45 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2kpo n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kpo n GLN 50 N 6.93 0.00 -1.28 -1.46 1.13 -1.26 -4.93 117.38 116.51 2kpo n GLN 50 Ca 0.48 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.40 2kpo n GLN 50 Cb 0.38 0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.86 2kpo n GLN 50 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2kpo n ASN 51 N -3.37 3.92 -4.40 1.08 3.02 -1.24 -5.04 115.26 109.24 2kpo n ASN 51 Ca 0.00 -3.80 -0.31 0.00 -0.03 0.00 0.00 54.58 50.45 2kpo n ASN 51 Cb 0.00 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.46 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 -3.93 2.49 -0.04 2.41 2.07 -1.25 0.14 121.20 123.08 2kpo s ILE 52 Ca 0.49 -1.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.56 2kpo s ILE 52 Cb 0.42 -1.98 0.02 0.00 0.13 0.00 0.00 42.46 41.04 2kpo s ILE 52 CO 0.00 0.42 -0.06 -0.54 -1.91 0.00 0.00 174.94 172.85 2kpo s LYS 53 N -1.15 0.95 -0.21 3.50 1.02 -0.05 -4.78 119.74 119.02 2kpo s LYS 53 Ca 0.12 -0.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 2kpo s LYS 53 Cb -0.10 -0.90 -0.00 0.00 -0.52 0.00 0.00 37.83 36.31 2kpo s LYS 53 CO 0.03 -0.03 -0.08 0.08 -0.92 0.00 0.00 175.35 174.43 2kpo s VAL 54 N 0.71 3.03 -0.19 3.17 1.01 -1.09 -1.08 120.40 125.97 2kpo s VAL 54 Ca -0.10 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2kpo s VAL 54 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2kpo s VAL 54 CO 0.01 0.45 0.56 -0.22 0.00 0.00 0.00 175.10 175.90 2kpo s LEU 55 N 1.43 4.15 -0.20 3.92 2.96 0.33 0.27 118.68 131.55 2kpo s LEU 55 Ca 0.06 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2kpo s LEU 55 Cb -0.14 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.77 2kpo s LEU 55 CO -0.06 -0.21 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.01 2kpo s ILE 56 N 1.69 2.75 -0.27 6.68 1.01 -0.20 -0.11 121.20 132.75 2kpo s ILE 56 Ca 0.26 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2kpo s ILE 56 Cb -0.16 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 2kpo s ILE 56 CO 0.10 0.48 0.06 -0.76 0.00 0.00 0.00 174.94 174.82 2kpo s LEU 57 N 1.33 3.57 0.16 2.97 2.01 -0.05 -0.90 118.68 127.76 2kpo s LEU 57 Ca 0.04 -0.52 0.11 0.00 0.01 0.00 0.00 54.13 53.78 2kpo s LEU 57 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 2kpo s LEU 57 CO -0.07 -0.12 -0.24 0.68 1.01 0.00 0.00 176.35 177.61 2kpo s VAL 58 N 1.53 2.42 -0.28 -1.59 -7.23 -0.65 -0.44 120.40 114.15 2kpo s VAL 58 Ca 0.04 -1.84 0.23 0.00 -1.81 0.00 0.00 61.98 58.59 2kpo s VAL 58 Cb -0.16 -2.12 -0.08 0.00 0.56 0.00 0.00 36.38 34.58 2kpo s VAL 58 CO 0.02 -0.01 0.95 -1.54 -0.31 0.00 0.00 175.10 174.21 2kpo n SER 59 N 0.57 0.64 -4.26 4.85 3.41 -1.11 0.24 113.62 117.96 2kpo n SER 59 Ca -0.15 0.16 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 2kpo n SER 59 Cb 0.54 0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 65.13 2kpo n SER 59 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2kpo s ASN 60 N -4.88 2.67 0.37 4.04 0.01 -1.26 -4.83 114.94 111.05 2kpo s ASN 60 Ca -0.01 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 51.76 2kpo s ASN 60 Cb 0.11 -0.28 0.70 0.00 0.41 0.00 0.00 41.25 42.20 2kpo s ASN 60 CO 0.81 0.26 1.95 0.44 -1.51 0.00 0.00 177.10 179.05 2kpo h ASP 61 N 5.41 0.49 -0.03 -1.22 3.32 -1.99 -0.76 116.42 121.64 2kpo h ASP 61 Ca -0.41 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 2kpo h ASP 61 Cb 1.14 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 2kpo h ASP 61 CO 0.47 0.47 0.01 -0.08 -1.72 0.00 0.00 179.24 178.39 2kpo h GLU 62 N 0.54 0.05 -0.26 3.56 4.81 -1.99 -1.68 114.58 119.60 2kpo h GLU 62 Ca 0.13 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2kpo h GLU 62 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kpo h GLU 62 CO -0.01 0.26 0.15 0.93 -0.73 0.00 0.00 179.01 179.61 2kpo h GLU 63 N -0.16 0.34 -0.25 1.92 4.39 -1.92 -0.52 114.58 118.39 2kpo h GLU 63 Ca 0.01 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2kpo h GLU 63 Cb 0.23 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2kpo h GLU 63 CO -0.00 0.25 0.12 1.25 -1.16 0.00 0.00 179.01 179.47 2kpo h LEU 64 N 0.35 0.19 -0.50 1.33 5.85 -0.81 -0.93 115.31 120.79 2kpo h LEU 64 Ca 0.09 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 2kpo h LEU 64 Cb -0.01 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2kpo h LEU 64 CO -0.02 0.14 -0.53 -0.78 -0.34 0.00 0.00 178.44 176.92 2kpo h ASP 65 N 0.26 0.68 -0.51 1.25 1.82 -0.41 -2.70 116.42 116.81 2kpo h ASP 65 Ca 0.10 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 2kpo h ASP 65 Cb 0.02 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 2kpo h ASP 65 CO -0.06 1.08 0.20 0.11 -1.61 0.00 0.00 179.24 178.95 2kpo h LYS 66 N 0.48 0.77 -0.46 0.28 1.79 -1.02 -1.00 116.57 117.40 2kpo h LYS 66 Ca 0.01 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 2kpo h LYS 66 Cb 1.08 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 2kpo h LYS 66 CO 0.10 0.69 0.26 0.00 -1.08 0.00 0.00 179.45 179.42 2kpo h ALA 67 N 1.05 0.59 0.00 3.86 0.00 -1.07 -0.60 119.26 123.08 2kpo h ALA 67 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2kpo h ALA 67 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kpo h ALA 67 CO -0.01 -0.07 -0.44 1.57 0.00 0.00 0.00 179.25 180.30 2kpo h LYS 68 N 0.52 0.00 0.47 0.00 2.10 -1.39 -1.51 116.57 116.76 2kpo h LYS 68 Ca 0.19 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 2kpo h LYS 68 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2kpo h LYS 68 CO -0.10 0.44 -0.23 0.93 -2.00 0.00 0.00 179.45 178.50 2kpo h GLU 69 N 0.00 -0.61 -0.48 0.07 5.08 -0.47 -1.33 114.58 116.84 2kpo h GLU 69 Ca -0.00 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2kpo h GLU 69 Cb 0.83 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 2kpo h GLU 69 CO 0.06 -0.35 0.13 -0.07 -1.00 0.00 0.00 179.01 177.78 2kpo h LEU 70 N -0.76 0.07 0.12 1.33 3.38 -1.04 0.15 115.31 118.55 2kpo h LEU 70 Ca -0.06 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2kpo h LEU 70 Cb 0.54 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2kpo h LEU 70 CO 0.11 0.07 -0.36 0.00 0.09 0.00 0.00 178.44 178.34 2kpo h ALA 71 N 1.35 -0.63 -0.02 1.53 0.00 -1.26 0.14 119.26 120.38 2kpo h ALA 71 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kpo h ALA 71 Cb 0.29 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2kpo h ALA 71 CO -0.28 -0.92 0.01 1.96 0.00 0.00 0.00 179.25 180.02 2kpo h GLN 72 N -0.59 0.02 0.00 0.00 4.20 -0.88 0.12 115.11 117.97 2kpo h GLN 72 Ca 0.03 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2kpo h GLN 72 Cb 0.63 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2kpo h GLN 72 CO -0.22 0.02 -0.09 0.87 -0.67 0.00 0.00 178.83 178.74 2kpo h LYS 73 N 0.02 0.00 -0.10 1.46 1.57 -0.59 -2.35 116.57 116.58 2kpo h LYS 73 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kpo h LYS 73 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kpo h LYS 73 CO -0.00 0.09 0.00 -1.33 -0.57 0.00 0.00 179.45 177.64 2kpo n MET 74 N -3.23 1.97 -3.06 3.15 2.81 0.49 -5.01 117.12 114.23 2kpo n MET 74 Ca 0.00 -1.83 -0.13 0.00 -1.81 0.00 0.00 57.70 53.94 2kpo n MET 74 Cb 0.35 -1.41 0.07 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.19 -3.50 -4.40 0.03 1.02 0.07 -5.03 120.64 110.02 2kpo n GLU 75 Ca 0.13 0.72 -0.23 0.00 -0.02 0.00 0.00 57.16 57.76 2kpo n GLU 75 Cb 0.52 -5.19 -0.13 0.00 -0.02 0.00 0.00 31.44 26.62 2kpo n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kpo s ILE 76 N -3.31 1.48 -0.38 -3.67 1.01 0.19 -5.03 121.20 111.48 2kpo s ILE 76 Ca 0.21 -1.27 -0.23 0.00 0.00 0.00 0.00 60.65 59.36 2kpo s ILE 76 Cb -0.03 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.12 2kpo s ILE 76 CO 0.61 0.02 0.78 -0.62 0.00 0.00 0.00 174.94 175.73 2kpo s ASP 77 N -1.47 6.51 0.27 3.58 -1.08 -1.26 -4.47 116.67 118.74 2kpo s ASP 77 Ca 0.05 0.23 0.06 0.00 -0.52 0.00 0.00 52.55 52.36 2kpo s ASP 77 Cb -0.09 -2.39 -0.06 0.00 -1.46 0.00 0.00 42.92 38.92 2kpo s ASP 77 CO 0.02 -0.77 -0.04 0.68 0.52 0.00 0.00 175.17 175.59 2kpo s VAL 78 N 3.13 1.44 -0.37 1.11 -7.23 -1.26 -2.66 120.40 114.57 2kpo s VAL 78 Ca 0.31 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2kpo s VAL 78 Cb -0.13 -2.43 0.12 0.00 0.56 0.00 0.00 36.38 34.50 2kpo s VAL 78 CO 0.18 -0.30 0.15 -0.60 -0.31 0.00 0.00 175.10 174.23 2kpo s ARG 79 N -3.77 1.03 -0.14 4.82 3.52 0.14 -4.90 118.95 119.65 2kpo s ARG 79 Ca 0.29 -1.55 -0.20 0.00 -0.13 0.00 0.00 55.73 54.14 2kpo s ARG 79 Cb 0.05 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 2kpo s ARG 79 CO 0.11 -1.06 0.55 0.95 -0.81 0.00 0.00 175.30 175.04 2kpo s THR 80 N 1.00 5.12 -0.00 4.11 -4.23 -1.26 -1.03 115.64 119.34 2kpo s THR 80 Ca 0.13 1.09 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 2kpo s THR 80 Cb -0.21 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.75 2kpo s THR 80 CO -0.12 0.25 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.06 2kpo s ARG 81 N 1.05 0.17 -0.25 3.99 1.81 -0.08 -4.97 118.95 120.68 2kpo s ARG 81 Ca 0.28 -0.06 -0.18 0.00 -1.72 0.00 0.00 55.73 54.06 2kpo s ARG 81 Cb -0.16 -0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.12 2kpo s ARG 81 CO 0.12 0.03 0.52 0.21 -0.68 0.00 0.00 175.30 175.49 2kpo s LYS 82 N 0.06 4.10 -0.05 3.54 2.20 -1.26 -1.64 119.74 126.69 2kpo s LYS 82 Ca -0.00 0.34 0.06 0.00 -0.36 0.00 0.00 55.97 56.01 2kpo s LYS 82 Cb -0.02 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2kpo s LYS 82 CO -0.00 -0.30 -0.24 0.14 -0.36 0.00 0.00 175.35 174.59 2kpo s VAL 83 N 2.14 1.93 -0.03 4.02 -7.23 0.14 -4.91 120.40 116.45 2kpo s VAL 83 Ca 0.22 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2kpo s VAL 83 Cb -0.16 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 2kpo s VAL 83 CO 0.09 0.54 -0.02 0.35 -0.31 0.00 0.00 175.10 175.75 2kpo n THR 84 N 2.95 0.21 -3.16 5.32 -2.24 -1.26 -3.87 114.28 112.22 2kpo n THR 84 Ca -0.17 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 2kpo n THR 84 Cb 0.52 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -4.09 6.79 0.29 3.42 0.01 -1.26 -4.99 113.70 113.87 2kpo s SER 85 Ca -0.04 0.95 0.04 0.00 1.31 0.00 0.00 55.95 58.20 2kpo s SER 85 Cb 0.01 -2.35 0.65 0.00 0.21 0.00 0.00 66.02 64.54 2kpo s SER 85 CO 0.09 -0.13 1.80 -0.65 0.41 0.00 0.00 173.24 174.77 2kpo h PRO 86 N 6.98 0.82 -0.76 12.44 0.11 -1.94 -1.64 132.00 148.02 2kpo h PRO 86 Ca -0.38 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.74 2kpo h PRO 86 Cb 1.17 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2kpo h PRO 86 CO 0.76 0.55 0.50 0.38 -0.21 0.00 0.00 178.00 179.97 2kpo h ASP 87 N 0.85 0.74 0.75 -2.05 2.03 -1.98 -1.79 116.42 114.96 2kpo h ASP 87 Ca 0.54 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.81 2kpo h ASP 87 Cb 0.72 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2kpo h ASP 87 CO -0.34 0.48 -0.46 -0.33 -1.03 0.00 0.00 179.24 177.57 2kpo h GLU 88 N 0.84 -1.09 -0.76 4.15 4.39 -1.71 -1.64 114.58 118.76 2kpo h GLU 88 Ca 0.32 0.07 0.12 0.00 0.34 0.00 0.00 59.36 60.21 2kpo h GLU 88 Cb 0.19 0.25 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 2kpo h GLU 88 CO -0.11 -0.73 0.36 0.00 -1.16 0.00 0.00 179.01 177.38 2kpo h ALA 89 N -0.99 1.07 -0.69 3.43 0.00 -1.51 -0.07 119.26 120.50 2kpo h ALA 89 Ca -0.10 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kpo h ALA 89 Cb 0.91 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2kpo h ALA 89 CO 0.10 -0.10 0.41 0.87 0.00 0.00 0.00 179.25 180.53 2kpo h LYS 90 N 0.57 0.74 -0.35 0.00 1.57 -1.20 -1.74 116.57 116.15 2kpo h LYS 90 Ca 0.39 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 2kpo h LYS 90 Cb 0.50 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2kpo h LYS 90 CO -0.33 0.49 -0.39 -0.09 -0.57 0.00 0.00 179.45 178.56 2kpo h ARG 91 N 0.77 0.89 -0.75 3.15 2.43 -0.25 -2.85 114.38 117.76 2kpo h ARG 91 Ca 0.30 -0.49 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 2kpo h ARG 91 Cb 0.13 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2kpo h ARG 91 CO -0.16 1.13 0.46 -1.49 -1.51 0.00 0.00 179.97 178.41 2kpo h TRP 92 N 0.70 0.86 -0.55 2.20 4.06 -0.65 0.10 115.95 122.67 2kpo h TRP 92 Ca 0.05 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.03 2kpo h TRP 92 Cb 0.99 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.84 2kpo h TRP 92 CO 0.07 0.47 0.35 0.82 -3.56 0.00 0.00 178.44 176.58 2kpo h ILE 93 N 0.88 1.15 0.50 1.49 2.04 -1.32 0.54 117.51 122.80 2kpo h ILE 93 Ca 0.31 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2kpo h ILE 93 Cb 0.08 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2kpo h ILE 93 CO -0.14 0.15 -0.25 0.50 0.00 0.00 0.00 178.15 178.41 2kpo h LYS 94 N 0.74 -0.66 -0.10 2.37 3.64 -1.13 -2.60 116.57 118.82 2kpo h LYS 94 Ca 0.20 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2kpo h LYS 94 Cb -0.06 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2kpo h LYS 94 CO -0.04 -0.44 -0.12 0.93 -2.27 0.00 0.00 179.45 177.50 2kpo h GLU 95 N -0.69 0.15 -0.65 1.90 4.39 -0.73 -0.90 114.58 118.06 2kpo h GLU 95 Ca -0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2kpo h GLU 95 Cb 0.53 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2kpo h GLU 95 CO 0.10 0.29 0.29 0.35 -1.16 0.00 0.00 179.01 178.88 2kpo h PHE 96 N 0.15 0.93 -0.42 4.33 3.04 -0.79 -0.79 116.94 123.39 2kpo h PHE 96 Ca 0.03 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 2kpo h PHE 96 Cb 0.32 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2kpo h PHE 96 CO 0.00 0.69 -0.11 1.03 -2.02 0.00 0.00 178.31 177.91 2kpo h SER 97 N 0.93 0.81 -0.93 0.41 0.87 -0.85 -3.04 113.55 111.75 2kpo h SER 97 Ca 0.22 -0.37 0.15 0.00 -1.23 0.00 0.00 61.79 60.57 2kpo h SER 97 Cb 0.12 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 61.78 2kpo h SER 97 CO -0.03 0.99 0.60 -0.33 -0.53 0.00 0.00 176.83 177.53 2kpo h GLU 98 N 0.63 0.72 -0.69 2.24 4.39 -0.50 -1.65 114.58 119.72 2kpo h GLU 98 Ca 0.10 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.85 2kpo h GLU 98 Cb 0.64 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 2kpo h GLU 98 CO 0.04 0.47 0.34 0.93 -1.16 0.00 0.00 179.01 179.64 2kpo h GLU 99 N 0.74 0.57 -5.68 2.33 4.39 -1.05 -3.47 114.58 112.42 2kpo h GLU 99 Ca 0.48 -0.03 -0.43 0.00 0.34 0.00 0.00 59.36 59.72 2kpo h GLU 99 Cb 0.74 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2kpo h GLU 99 CO -0.24 0.38 -0.67 0.41 -1.16 0.00 0.00 179.01 177.73 2kpo n GLY 100 N -1.30 -0.51 2.14 -3.84 0.00 -0.62 -0.52 105.19 100.55 2kpo n GLY 100 Ca 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.57 0.44 4.27 -0.02 0.00 -1.26 -3.92 105.19 103.12 2kpo n GLY 101 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kpo n GLY 101 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kpo n SER 102 N -0.07 0.00 0.28 1.61 2.88 0.33 -4.74 113.62 113.90 2kpo n SER 102 Ca -0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 2kpo n SER 102 Cb 0.07 0.00 0.95 0.00 -0.75 0.00 0.00 64.21 64.48 2kpo n SER 102 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kpo h LEU 103 N 0.00 0.00 0.00 2.46 3.38 -1.76 -2.45 115.31 116.94 2kpo h LEU 103 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kpo h LEU 103 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kpo h LEU 103 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 2kpo n GLU 104 N -3.39 0.00 -1.26 1.13 -0.58 -1.26 -3.25 120.64 112.03 2kpo n GLU 104 Ca -0.01 0.39 -0.35 0.00 -0.42 0.00 0.00 57.16 56.78 2kpo n GLU 104 Cb 0.25 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 2kpo n GLU 104 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kpo n HIS 105 N -1.68 2.07 -1.89 -0.32 1.44 -0.98 -4.90 115.22 108.96 2kpo n HIS 105 Ca 0.00 -2.86 -0.23 0.00 -2.01 0.00 0.00 57.72 52.62 2kpo n HIS 105 Cb 0.00 -2.36 -0.08 0.00 0.12 0.00 0.00 29.99 27.67 2kpo n HIS 105 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kpo s HIS 106 N 2.02 1.65 -0.11 -1.40 -3.43 -0.96 -4.39 115.29 108.68 2kpo s HIS 106 Ca 0.69 1.18 0.09 0.00 -0.80 0.00 0.00 55.06 56.22 2kpo s HIS 106 Cb 0.20 -3.75 -0.13 0.00 -1.43 0.00 0.00 32.58 27.48 2kpo s HIS 106 CO -0.05 -1.07 0.03 0.72 -2.00 0.00 0.00 174.74 172.36 2kpo n HIS 107 N 16.38 0.00 -5.00 0.38 8.25 -1.26 -4.97 115.22 129.01 2kpo n HIS 107 Ca 0.43 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.60 2kpo n HIS 107 Cb 0.47 -0.52 -0.17 0.00 1.12 0.00 0.00 29.99 30.89 2kpo n HIS 107 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpo s HIS 108 N -2.26 2.12 0.18 4.41 3.76 -1.26 -5.15 115.29 117.09 2kpo s HIS 108 Ca -0.06 -0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 54.03 2kpo s HIS 108 Cb 0.03 -1.44 0.04 0.00 1.11 0.00 0.00 32.58 32.32 2kpo s HIS 108 CO 0.43 -0.32 0.21 0.72 -0.85 0.00 0.00 174.74 174.93 2kpo n HIS 109 N 3.48 -3.77 1.40 1.40 -0.00 -1.26 -4.73 115.22 111.74 2kpo n HIS 109 Ca -0.20 -0.19 0.14 0.00 -0.00 0.00 0.00 57.72 57.47 2kpo n HIS 109 Cb 0.53 -0.18 0.44 0.00 -0.00 0.00 0.00 29.99 30.78 2kpo n HIS 109 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95