#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 3.94 -0.11 -0.89 1.02 -0.44 -5.04 118.68 117.16 2kpo s LEU 2 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2kpo s LEU 2 Cb 0.00 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.26 2kpo s LEU 2 CO 0.00 0.29 -0.09 -0.76 0.02 0.00 0.00 176.35 175.80 2kpo s LEU 3 N -0.30 1.33 0.17 1.79 1.43 -1.26 -0.44 118.68 121.40 2kpo s LEU 3 Ca 0.09 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2kpo s LEU 3 Cb -0.12 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2kpo s LEU 3 CO 0.01 -0.08 -0.14 -0.31 0.23 0.00 0.00 176.35 176.06 2kpo s TYR 4 N 1.48 1.57 -0.03 0.29 1.51 0.01 -3.75 117.35 118.44 2kpo s TYR 4 Ca 0.01 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2kpo s TYR 4 Cb -0.13 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 2kpo s TYR 4 CO -0.06 0.26 -0.02 0.08 -1.11 0.00 0.00 175.55 174.70 2kpo s VAL 5 N -2.77 0.28 -0.10 0.71 1.01 0.19 -0.32 120.40 119.40 2kpo s VAL 5 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.18 2kpo s VAL 5 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2kpo s VAL 5 CO 0.05 0.15 -0.23 -0.76 0.00 0.00 0.00 175.10 174.30 2kpo s LEU 6 N 0.75 2.07 -0.18 3.92 1.43 0.83 -1.26 118.68 126.24 2kpo s LEU 6 Ca -0.08 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2kpo s LEU 6 Cb -0.11 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2kpo s LEU 6 CO -0.01 0.15 -0.14 -0.51 0.23 0.00 0.00 176.35 176.07 2kpo s ILE 7 N 0.37 2.63 -0.44 -0.59 2.07 -0.78 -0.85 121.20 123.61 2kpo s ILE 7 Ca -0.18 -0.76 -0.08 0.00 -1.41 0.00 0.00 60.65 58.21 2kpo s ILE 7 Cb -0.18 -2.13 0.10 0.00 0.13 0.00 0.00 42.46 40.38 2kpo s ILE 7 CO 0.08 0.50 0.28 -0.63 -1.91 0.00 0.00 174.94 173.27 2kpo s ILE 8 N 1.13 4.11 0.12 2.00 1.01 0.93 -0.89 121.20 129.62 2kpo s ILE 8 Ca 0.01 -1.60 -0.25 0.00 0.00 0.00 0.00 60.65 58.81 2kpo s ILE 8 Cb -0.14 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.79 2kpo s ILE 8 CO -0.05 -0.62 0.70 -0.55 0.00 0.00 0.00 174.94 174.42 2kpo s SER 9 N 2.29 -0.48 0.00 3.58 0.15 -1.25 -1.27 113.70 116.72 2kpo s SER 9 Ca 0.04 -0.04 0.18 0.00 0.70 0.00 0.00 55.95 56.83 2kpo s SER 9 Cb -0.24 0.54 -0.16 0.00 -1.71 0.00 0.00 66.02 64.45 2kpo s SER 9 CO 0.00 -0.89 0.82 0.59 1.20 0.00 0.00 173.24 174.97 2kpo n ASN 10 N -0.35 1.07 -4.56 5.45 5.03 -1.26 -4.92 115.26 115.72 2kpo n ASN 10 Ca -0.14 -1.04 -0.42 0.00 0.87 0.00 0.00 54.58 53.86 2kpo n ASN 10 Cb 0.64 0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 40.26 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2kpo s ASP 11 N -2.62 6.36 0.14 6.41 1.01 -1.26 -4.92 116.67 121.79 2kpo s ASP 11 Ca 0.09 -0.09 -0.18 0.00 0.71 0.00 0.00 52.55 53.07 2kpo s ASP 11 Cb 0.14 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 2kpo s ASP 11 CO 0.70 -1.54 1.78 0.11 0.21 0.00 0.00 175.17 176.43 2kpo h LYS 12 N 9.63 0.34 -0.24 8.23 1.79 -1.99 -0.79 116.57 133.54 2kpo h LYS 12 Ca -0.26 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 2kpo h LYS 12 Cb 1.06 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2kpo h LYS 12 CO 1.20 0.22 -0.07 0.87 -1.08 0.00 0.00 179.45 180.60 2kpo h LYS 13 N 0.35 0.38 -0.44 3.15 1.79 -1.99 0.17 116.57 119.97 2kpo h LYS 13 Ca 0.11 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2kpo h LYS 13 Cb -0.02 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 2kpo h LYS 13 CO -0.04 0.46 -0.15 1.25 -1.08 0.00 0.00 179.45 179.89 2kpo h LEU 14 N 0.36 0.90 -0.55 2.94 6.46 -1.84 -2.30 115.31 121.28 2kpo h LEU 14 Ca 0.08 -0.38 -0.07 0.00 -0.12 0.00 0.00 57.88 57.39 2kpo h LEU 14 Cb 0.35 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2kpo h LEU 14 CO 0.02 1.08 0.08 0.40 -0.62 0.00 0.00 178.44 179.40 2kpo h ILE 15 N 0.72 1.26 0.11 4.05 2.04 -0.47 -2.74 117.51 122.49 2kpo h ILE 15 Ca 0.11 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2kpo h ILE 15 Cb 0.71 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2kpo h ILE 15 CO 0.05 0.36 -0.09 -0.33 0.00 0.00 0.00 178.15 178.14 2kpo h GLU 16 N 0.81 -0.21 -0.59 2.37 5.08 -0.60 -1.08 114.58 120.37 2kpo h GLU 16 Ca 0.17 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2kpo h GLU 16 Cb 0.42 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2kpo h GLU 16 CO 0.01 -0.14 0.39 0.93 -1.00 0.00 0.00 179.01 179.20 2kpo h GLU 17 N -0.21 0.61 -0.48 2.33 4.39 -1.43 -0.03 114.58 119.75 2kpo h GLU 17 Ca -0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2kpo h GLU 17 Cb 0.20 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2kpo h GLU 17 CO -0.01 0.40 0.24 0.00 -1.16 0.00 0.00 179.01 178.48 2kpo h ALA 18 N 1.67 0.62 -0.74 3.43 0.00 -1.14 -2.79 119.26 120.31 2kpo h ALA 18 Ca 0.25 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2kpo h ALA 18 Cb 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2kpo h ALA 18 CO -0.07 0.18 0.46 0.00 0.00 0.00 0.00 179.25 179.82 2kpo h ARG 19 N 0.64 0.84 0.05 0.00 3.08 0.25 -0.83 114.38 118.40 2kpo h ARG 19 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2kpo h ARG 19 Cb 0.11 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2kpo h ARG 19 CO -0.02 0.56 -0.21 0.87 -1.07 0.00 0.00 179.97 180.10 2kpo h LYS 20 N 0.87 -0.28 -0.13 0.04 6.56 -1.01 -1.73 116.57 120.88 2kpo h LYS 20 Ca 0.31 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.94 2kpo h LYS 20 Cb 0.09 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2kpo h LYS 20 CO -0.14 -0.19 0.09 0.52 -2.06 0.00 0.00 179.45 177.67 2kpo h MET 21 N -0.29 0.08 -0.13 3.15 2.86 -1.38 0.34 114.93 119.56 2kpo h MET 21 Ca -0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kpo h MET 21 Cb 0.29 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2kpo h MET 21 CO -0.11 0.05 0.07 0.00 1.06 0.00 0.00 176.91 177.98 2kpo h ALA 22 N 1.93 0.17 -0.08 6.32 0.00 -0.91 0.27 119.26 126.96 2kpo h ALA 22 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2kpo h ALA 22 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kpo h ALA 22 CO -0.01 -0.28 -0.48 0.93 0.00 0.00 0.00 179.25 179.42 2kpo h GLU 23 N 0.09 0.21 -0.15 0.00 5.08 -0.37 0.20 114.58 119.65 2kpo h GLU 23 Ca 0.05 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2kpo h GLU 23 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kpo h GLU 23 CO -0.01 0.64 -0.45 0.87 -1.00 0.00 0.00 179.01 179.07 2kpo h LYS 24 N 0.17 0.36 -0.02 2.33 1.79 -0.77 -2.93 116.57 117.49 2kpo h LYS 24 Ca 0.01 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2kpo h LYS 24 Cb 0.91 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2kpo h LYS 24 CO 0.07 0.74 -0.09 0.00 -1.08 0.00 0.00 179.45 179.09 2kpo n ALA 25 N -2.48 2.74 -1.70 3.86 0.00 0.93 -4.95 120.51 118.91 2kpo n ALA 25 Ca -0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 2kpo n ALA 25 Cb 0.52 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 0.19 -4.37 -4.91 0.00 5.03 0.27 -5.00 115.26 106.47 2kpo n ASN 26 Ca 0.16 0.20 -0.30 0.00 0.87 0.00 0.00 54.58 55.50 2kpo n ASN 26 Cb 0.41 -3.21 -0.04 0.00 -1.02 0.00 0.00 39.78 35.92 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 -3.22 4.31 -0.00 3.41 1.43 0.46 -4.99 118.68 120.07 2kpo s LEU 27 Ca 0.00 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 2kpo s LEU 27 Cb 0.00 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2kpo s LEU 27 CO 0.00 0.15 1.03 -0.70 0.23 0.00 0.00 176.35 177.06 2kpo s GLU 28 N -2.62 4.52 -0.03 1.70 2.56 -1.25 -4.42 118.70 119.15 2kpo s GLU 28 Ca 0.34 1.49 0.01 0.00 0.00 0.00 0.00 54.97 56.81 2kpo s GLU 28 Cb -0.13 -3.45 0.02 0.00 2.00 0.00 0.00 34.13 32.58 2kpo s GLU 28 CO 0.28 -0.12 -0.02 -1.17 -0.56 0.00 0.00 175.26 173.67 2kpo s LEU 29 N 1.15 1.23 0.05 2.70 0.20 -1.26 0.56 118.68 123.31 2kpo s LEU 29 Ca 0.53 -0.06 0.05 0.00 0.69 0.00 0.00 54.13 55.34 2kpo s LEU 29 Cb -0.22 -0.30 -0.02 0.00 -0.43 0.00 0.00 46.19 45.21 2kpo s LEU 29 CO 0.27 -0.08 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.97 2kpo s ARG 30 N 0.98 0.93 -0.19 1.98 1.81 -0.39 -5.00 118.95 119.06 2kpo s ARG 30 Ca -0.10 -0.84 -0.22 0.00 -1.72 0.00 0.00 55.73 52.85 2kpo s ARG 30 Cb -0.14 -0.96 -0.02 0.00 -0.45 0.00 0.00 34.95 33.38 2kpo s ARG 30 CO -0.01 0.23 0.66 0.95 -0.68 0.00 0.00 175.30 176.45 2kpo s THR 31 N -0.99 5.00 -0.12 0.02 -4.23 -1.26 -1.86 115.64 112.19 2kpo s THR 31 Ca 0.01 1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 61.73 2kpo s THR 31 Cb -0.09 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.74 2kpo s THR 31 CO 0.02 0.09 0.05 -0.69 -0.54 0.00 0.00 174.62 173.55 2kpo s VAL 32 N 1.97 4.70 -0.20 2.29 1.01 -0.06 -4.94 120.40 125.17 2kpo s VAL 32 Ca 0.30 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2kpo s VAL 32 Cb -0.16 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 2kpo s VAL 32 CO 0.11 0.57 -0.28 0.29 0.00 0.00 0.00 175.10 175.79 2kpo n LYS 33 N 2.51 0.45 -4.28 2.72 5.02 -1.26 -3.97 118.16 119.35 2kpo n LYS 33 Ca -0.18 0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 2kpo n LYS 33 Cb 0.54 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 2kpo n LYS 33 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kpo n THR 34 N -4.02 0.00 -0.15 -0.18 -2.24 -1.26 -4.94 114.28 101.49 2kpo n THR 34 Ca -0.36 -2.23 -0.03 0.00 -2.27 0.00 0.00 64.05 59.16 2kpo n THR 34 Cb 0.72 0.77 0.06 0.00 -2.10 0.00 0.00 70.33 69.78 2kpo n THR 34 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kpo h GLU 35 N 0.00 0.21 -0.51 -0.78 4.81 -1.99 -1.52 114.58 114.81 2kpo h GLU 35 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2kpo h GLU 35 Cb 1.14 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 2kpo h GLU 35 CO 0.49 0.14 0.34 0.22 -0.73 0.00 0.00 179.01 179.47 2kpo h ASP 36 N 0.22 0.59 -0.43 1.04 1.82 -1.99 -2.19 116.42 115.49 2kpo h ASP 36 Ca 0.24 -0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.91 2kpo h ASP 36 Cb 0.33 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 2kpo h ASP 36 CO -0.33 0.43 0.18 -0.33 -1.61 0.00 0.00 179.24 177.58 2kpo h GLU 37 N 0.70 0.36 0.10 0.28 4.39 -1.82 0.35 114.58 118.93 2kpo h GLU 37 Ca 0.19 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.88 2kpo h GLU 37 Cb -0.08 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 2kpo h GLU 37 CO -0.04 0.24 -0.22 1.25 -1.16 0.00 0.00 179.01 179.08 2kpo h LEU 38 N 0.37 -0.62 -0.78 1.33 7.12 -0.97 -1.57 115.31 120.20 2kpo h LEU 38 Ca 0.19 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.32 2kpo h LEU 38 Cb 0.14 0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 40.46 2kpo h LEU 38 CO -0.17 -0.30 0.49 0.50 -0.13 0.00 0.00 178.44 178.83 2kpo h LYS 39 N -0.40 0.91 -0.99 1.25 3.64 -1.20 -2.26 116.57 117.52 2kpo h LYS 39 Ca 0.03 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 2kpo h LYS 39 Cb 0.43 -0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 2kpo h LYS 39 CO -0.13 0.60 0.60 -0.22 -2.27 0.00 0.00 179.45 178.02 2kpo h LYS 40 N 0.93 0.78 0.00 1.90 3.64 0.44 0.06 116.57 124.32 2kpo h LYS 40 Ca 0.32 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 2kpo h LYS 40 Cb 0.06 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2kpo h LYS 40 CO -0.13 0.51 -1.04 1.88 -2.27 0.00 0.00 179.45 178.40 2kpo h TYR 41 N 0.80 0.00 0.00 1.91 0.05 -1.03 -3.26 116.97 115.44 2kpo h TYR 41 Ca 0.55 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.28 2kpo h TYR 41 Cb 0.78 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2kpo h TYR 41 CO -0.01 0.98 -0.23 -0.07 -1.05 0.00 0.00 178.16 177.78 2kpo h LEU 42 N 0.00 0.00 -0.91 3.88 3.38 -0.47 -2.83 115.31 118.36 2kpo h LEU 42 Ca -0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2kpo h LEU 42 Cb 1.78 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.44 2kpo h LEU 42 CO 0.12 0.23 0.53 -0.33 0.09 0.00 0.00 178.44 179.07 2kpo h GLU 43 N 0.00 0.76 -0.16 1.13 5.08 -1.17 -0.76 114.58 119.47 2kpo h GLU 43 Ca -0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2kpo h GLU 43 Cb 0.42 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kpo h GLU 43 CO 0.03 0.50 -0.37 0.93 -1.00 0.00 0.00 179.01 179.10 2kpo h GLU 44 N 0.78 0.53 0.00 2.33 3.07 -1.69 -3.29 114.58 116.31 2kpo h GLU 44 Ca 0.48 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 2kpo h GLU 44 Cb 0.59 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2kpo h GLU 44 CO -0.32 0.97 -0.07 0.74 -1.40 0.00 0.00 179.01 178.94 2kpo h PHE 45 N 0.16 0.00 0.00 4.33 0.05 -1.13 -0.39 116.94 119.95 2kpo h PHE 45 Ca -0.00 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 2kpo h PHE 45 Cb 0.98 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.93 2kpo h PHE 45 CO 0.10 0.07 -0.03 0.00 -0.18 0.00 0.00 178.31 178.26 2kpo h ARG 46 N 0.00 0.00 0.82 1.51 3.08 -1.25 -2.88 114.38 115.66 2kpo h ARG 46 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2kpo h ARG 46 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 2kpo h ARG 46 CO 0.01 0.03 -0.39 0.87 -1.07 0.00 0.00 179.97 179.42 2kpo h LYS 47 N 0.00 -1.06 -1.33 0.04 1.57 -1.22 -3.11 116.57 111.48 2kpo h LYS 47 Ca -0.00 0.07 -0.45 0.00 -1.87 0.00 0.00 60.65 58.40 2kpo h LYS 47 Cb 0.36 0.24 -0.19 0.00 0.08 0.00 0.00 32.23 32.71 2kpo h LYS 47 CO 0.00 -0.70 0.59 0.39 -0.57 0.00 0.00 179.45 179.16 2kpo n GLU 48 N -4.96 2.13 0.00 3.15 4.71 -1.20 -4.68 120.64 119.78 2kpo n GLU 48 Ca -0.14 -2.20 0.03 0.00 -0.01 0.00 0.00 57.16 54.85 2kpo n GLU 48 Cb 0.43 -1.86 0.19 0.00 -1.01 0.00 0.00 31.44 29.19 2kpo n GLU 48 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kpo n SER 49 N -0.13 0.00 -0.02 1.62 2.88 -1.09 -3.21 113.62 113.67 2kpo n SER 49 Ca 0.42 -0.28 -0.08 0.00 -1.33 0.00 0.00 58.87 57.60 2kpo n SER 49 Cb 0.62 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 2kpo n SER 49 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kpo h GLN 50 N 0.00 -0.07 -0.01 -1.46 4.20 -1.88 -3.39 115.11 112.49 2kpo h GLN 50 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kpo h GLN 50 Cb 0.00 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2kpo h GLN 50 CO 0.00 0.39 -0.37 0.09 -0.67 0.00 0.00 178.83 178.27 2kpo n ASN 51 N -4.77 1.89 -4.84 1.46 3.02 -1.21 -5.06 115.26 105.75 2kpo n ASN 51 Ca -0.06 -3.71 -0.37 0.00 -0.03 0.00 0.00 54.58 50.41 2kpo n ASN 51 Cb 0.24 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 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 -3.15 5.00 -0.11 2.41 2.07 -1.20 -1.33 121.20 124.90 2kpo s ILE 52 Ca 0.37 0.77 0.00 0.00 -1.41 0.00 0.00 60.65 60.38 2kpo s ILE 52 Cb 0.35 -3.71 0.02 0.00 0.13 0.00 0.00 42.46 39.25 2kpo s ILE 52 CO -0.04 0.46 -0.09 -0.54 -1.91 0.00 0.00 174.94 172.82 2kpo s LYS 53 N -1.41 1.62 -0.18 3.50 -0.14 0.41 -4.67 119.74 118.87 2kpo s LYS 53 Ca 0.28 -0.31 -0.03 0.00 -1.36 0.00 0.00 55.97 54.56 2kpo s LYS 53 Cb -0.16 -1.59 -0.01 0.00 -1.68 0.00 0.00 37.83 34.39 2kpo s LYS 53 CO 0.16 -0.21 -0.06 0.08 -0.76 0.00 0.00 175.35 174.56 2kpo s VAL 54 N 1.49 3.42 -0.20 3.17 1.01 -0.93 -0.81 120.40 127.55 2kpo s VAL 54 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 2kpo s VAL 54 Cb -0.13 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2kpo s VAL 54 CO -0.06 0.46 0.23 -0.22 0.00 0.00 0.00 175.10 175.51 2kpo s LEU 55 N 0.95 4.18 -0.13 3.92 2.96 0.56 0.55 118.68 131.67 2kpo s LEU 55 Ca -0.01 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2kpo s LEU 55 Cb -0.15 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2kpo s LEU 55 CO 0.00 0.08 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.27 2kpo s ILE 56 N 0.75 1.99 -0.26 6.68 1.01 -0.05 -0.12 121.20 131.20 2kpo s ILE 56 Ca 0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2kpo s ILE 56 Cb -0.13 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2kpo s ILE 56 CO 0.03 0.54 -0.01 -0.76 0.00 0.00 0.00 174.94 174.74 2kpo s LEU 57 N 0.78 3.36 0.05 2.97 2.01 -0.03 -0.39 118.68 127.43 2kpo s LEU 57 Ca -0.08 -0.75 0.05 0.00 0.01 0.00 0.00 54.13 53.36 2kpo s LEU 57 Cb -0.16 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.26 2kpo s LEU 57 CO -0.01 -0.13 -0.10 0.68 1.01 0.00 0.00 176.35 177.80 2kpo s VAL 58 N 1.40 3.38 -0.01 -1.59 -7.23 -0.35 -0.05 120.40 115.96 2kpo s VAL 58 Ca 0.02 -1.05 0.11 0.00 -1.81 0.00 0.00 61.98 59.25 2kpo s VAL 58 Cb -0.16 -2.51 -0.14 0.00 0.56 0.00 0.00 36.38 34.12 2kpo s VAL 58 CO -0.02 0.27 1.11 0.77 -0.31 0.00 0.00 175.10 176.92 2kpo h SER 59 N 4.15 0.00 -2.69 4.85 4.64 -1.32 0.31 113.55 123.49 2kpo h SER 59 Ca -0.48 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.21 2kpo h SER 59 Cb 1.16 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 2kpo h SER 59 CO 0.52 0.83 -0.78 0.20 -0.87 0.00 0.00 176.83 176.72 2kpo s ASN 60 N -6.38 3.58 0.22 4.97 0.01 -1.26 -4.76 114.94 111.33 2kpo s ASN 60 Ca -0.00 -0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 51.21 2kpo s ASN 60 Cb 0.09 -0.32 0.21 0.00 0.41 0.00 0.00 41.25 41.64 2kpo s ASN 60 CO 0.80 0.08 1.59 -2.24 -1.51 0.00 0.00 177.10 175.82 2kpo h ASP 61 N 2.71 0.62 0.03 -1.22 2.03 -1.99 -1.69 116.42 116.91 2kpo h ASP 61 Ca -0.43 -0.27 -0.00 0.00 -0.73 0.00 0.00 57.03 55.59 2kpo h ASP 61 Cb 1.23 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2kpo h ASP 61 CO 0.54 0.94 -0.02 -0.08 -1.03 0.00 0.00 179.24 179.60 2kpo h GLU 62 N 0.49 -0.05 -0.55 4.15 4.57 -2.00 -1.66 114.58 119.54 2kpo h GLU 62 Ca 0.04 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2kpo h GLU 62 Cb 0.89 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 2kpo h GLU 62 CO 0.08 -0.00 0.37 0.93 -1.18 0.00 0.00 179.01 179.20 2kpo h GLU 63 N -0.08 0.54 0.22 1.92 3.07 -1.97 0.41 114.58 118.70 2kpo h GLU 63 Ca -0.00 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2kpo h GLU 63 Cb 0.07 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 2kpo h GLU 63 CO 0.01 0.36 -0.29 1.25 -1.40 0.00 0.00 179.01 178.94 2kpo h LEU 64 N 0.56 -0.79 -0.17 1.33 5.85 -0.78 0.10 115.31 121.40 2kpo h LEU 64 Ca 0.23 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2kpo h LEU 64 Cb 0.21 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2kpo h LEU 64 CO -0.06 -0.40 0.11 -0.78 -0.34 0.00 0.00 178.44 176.97 2kpo h ASP 65 N -0.57 0.20 -0.73 1.25 1.82 -0.70 -2.91 116.42 114.80 2kpo h ASP 65 Ca 0.00 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 2kpo h ASP 65 Cb 0.55 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.48 2kpo h ASP 65 CO -0.10 0.16 0.25 0.11 -1.61 0.00 0.00 179.24 178.05 2kpo h LYS 66 N 0.23 1.11 0.02 0.28 1.79 -0.86 -0.03 116.57 119.12 2kpo h LYS 66 Ca 0.06 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2kpo h LYS 66 Cb -0.01 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 2kpo h LYS 66 CO -0.01 0.94 -0.04 0.00 -1.08 0.00 0.00 179.45 179.26 2kpo h ALA 67 N 1.12 -0.05 -0.31 3.86 0.00 -0.68 -0.54 119.26 122.66 2kpo h ALA 67 Ca 0.24 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2kpo h ALA 67 Cb 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kpo h ALA 67 CO -0.01 -0.54 -0.37 1.57 0.00 0.00 0.00 179.25 179.90 2kpo h LYS 68 N -0.07 0.71 0.03 0.00 2.10 -1.47 -2.75 116.57 115.11 2kpo h LYS 68 Ca 0.01 -0.35 0.03 0.00 -2.00 0.00 0.00 60.65 58.33 2kpo h LYS 68 Cb 0.08 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.38 2kpo h LYS 68 CO -0.02 0.97 -0.22 1.49 -2.00 0.00 0.00 179.45 179.66 2kpo h GLU 69 N 0.59 -0.36 -0.15 0.07 4.22 -0.71 0.23 114.58 118.47 2kpo h GLU 69 Ca 0.06 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2kpo h GLU 69 Cb 0.90 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2kpo h GLU 69 CO 0.08 -0.24 0.10 -0.07 -2.18 0.00 0.00 179.01 176.70 2kpo h LEU 70 N -0.37 0.18 -0.98 1.64 3.38 -1.14 -2.63 115.31 115.38 2kpo h LEU 70 Ca 0.05 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2kpo h LEU 70 Cb 0.43 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2kpo h LEU 70 CO -0.18 0.13 0.63 0.00 0.09 0.00 0.00 178.44 179.11 2kpo h ALA 71 N 1.06 1.37 -0.72 1.53 0.00 -1.22 0.26 119.26 121.54 2kpo h ALA 71 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kpo h ALA 71 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2kpo h ALA 71 CO -0.01 0.42 0.24 1.96 0.00 0.00 0.00 179.25 181.85 2kpo h GLN 72 N 1.15 1.10 -0.10 0.00 4.20 -0.76 0.14 115.11 120.84 2kpo h GLN 72 Ca 0.43 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 2kpo h GLN 72 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2kpo h GLN 72 CO -0.17 0.92 -0.65 0.87 -0.67 0.00 0.00 178.83 179.13 2kpo h LYS 73 N 1.06 0.37 0.00 1.46 1.57 -1.00 -2.87 116.57 117.15 2kpo h LYS 73 Ca 0.23 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kpo h LYS 73 Cb 0.27 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2kpo h LYS 73 CO -0.01 0.89 0.00 -1.33 -0.57 0.00 0.00 179.45 178.43 2kpo n MET 74 N -3.87 0.07 -2.88 3.15 2.81 0.01 -4.96 117.12 111.46 2kpo n MET 74 Ca -0.03 0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.78 2kpo n MET 74 Cb 0.65 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.46 -1.68 -4.30 0.03 1.02 0.35 -4.97 120.64 109.63 2kpo n GLU 75 Ca 0.08 0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 57.84 2kpo n GLU 75 Cb 0.30 -4.97 -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 -3.26 0.85 -0.45 -3.67 1.01 -0.45 -5.02 121.20 110.21 2kpo s ILE 76 Ca 0.31 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 2kpo s ILE 76 Cb -0.04 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.68 2kpo s ILE 76 CO 0.59 0.00 1.13 -1.81 0.00 0.00 0.00 174.94 174.85 2kpo s ASP 77 N -0.88 6.69 0.25 3.58 1.11 -1.26 -4.55 116.67 121.60 2kpo s ASP 77 Ca 0.00 0.58 0.10 0.00 0.18 0.00 0.00 52.55 53.42 2kpo s ASP 77 Cb -0.07 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 2kpo s ASP 77 CO 0.01 -1.18 -0.18 0.68 1.18 0.00 0.00 175.17 175.68 2kpo s VAL 78 N 4.29 2.19 -0.50 -1.27 -7.23 -1.26 -2.20 120.40 114.43 2kpo s VAL 78 Ca 0.47 -2.31 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2kpo s VAL 78 Cb -0.08 -2.19 0.14 0.00 0.56 0.00 0.00 36.38 34.81 2kpo s VAL 78 CO 0.28 -0.46 0.28 -0.13 -0.31 0.00 0.00 175.10 174.77 2kpo s ARG 79 N -3.51 1.65 -0.37 4.82 0.52 0.19 -4.93 118.95 117.32 2kpo s ARG 79 Ca 0.26 -2.38 -0.18 0.00 -0.52 0.00 0.00 55.73 52.91 2kpo s ARG 79 Cb -0.04 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.67 2kpo s ARG 79 CO 0.12 -1.17 0.48 0.99 0.02 0.00 0.00 175.30 175.74 2kpo s THR 80 N -0.10 5.04 0.13 0.02 2.01 -1.26 -0.88 115.64 120.60 2kpo s THR 80 Ca 0.19 0.11 0.11 0.00 0.31 0.00 0.00 61.69 62.41 2kpo s THR 80 Cb -0.21 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2kpo s THR 80 CO -0.03 -0.28 -0.27 -0.13 -0.69 0.00 0.00 174.62 173.23 2kpo s ARG 81 N 2.31 1.42 -0.17 4.92 1.81 0.47 -4.97 118.95 124.74 2kpo s ARG 81 Ca 0.16 -1.34 -0.15 0.00 -1.72 0.00 0.00 55.73 52.68 2kpo s ARG 81 Cb -0.16 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 2kpo s ARG 81 CO 0.14 0.45 0.37 0.21 -0.68 0.00 0.00 175.30 175.79 2kpo s LYS 82 N -2.02 4.23 -0.06 3.54 2.20 -1.26 -1.21 119.74 125.16 2kpo s LYS 82 Ca 0.14 0.20 0.06 0.00 -0.36 0.00 0.00 55.97 56.01 2kpo s LYS 82 Cb -0.10 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2kpo s LYS 82 CO 0.06 0.09 -0.25 0.14 -0.36 0.00 0.00 175.35 175.03 2kpo s VAL 83 N 0.91 2.07 -0.45 4.02 -7.23 0.11 -4.90 120.40 114.93 2kpo s VAL 83 Ca 0.19 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 2kpo s VAL 83 Cb -0.14 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.10 2kpo s VAL 83 CO 0.07 0.57 0.76 0.35 -0.31 0.00 0.00 175.10 176.54 2kpo n THR 84 N 3.04 0.30 -3.79 5.32 -2.24 -1.26 -4.04 114.28 111.60 2kpo n THR 84 Ca -0.18 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 60.83 2kpo n THR 84 Cb 0.52 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.53 -0.14 0.28 3.42 0.01 -1.26 -5.07 113.70 110.42 2kpo s SER 85 Ca 0.06 0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2kpo s SER 85 Cb 0.04 0.31 0.39 0.00 0.21 0.00 0.00 66.02 66.97 2kpo s SER 85 CO 0.05 -0.39 1.94 1.55 0.41 0.00 0.00 173.24 176.80 2kpo h PRO 86 N 4.16 1.12 -0.49 12.44 0.13 -1.91 -1.81 132.00 145.63 2kpo h PRO 86 Ca -0.30 -0.08 0.13 0.00 -0.87 0.00 0.00 66.00 64.89 2kpo h PRO 86 Cb 1.18 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2kpo h PRO 86 CO 0.39 0.76 0.35 -0.44 -0.23 0.00 0.00 178.00 178.84 2kpo h ASP 87 N 1.15 0.04 0.70 1.44 3.32 -1.97 -0.52 116.42 120.57 2kpo h ASP 87 Ca 0.30 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2kpo h ASP 87 Cb -0.09 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.46 2kpo h ASP 87 CO -0.06 0.02 -0.34 -0.33 -1.72 0.00 0.00 179.24 176.82 2kpo h GLU 88 N 0.05 -0.91 -0.84 3.56 4.39 -1.75 -2.10 114.58 116.97 2kpo h GLU 88 Ca 0.23 0.06 0.13 0.00 0.34 0.00 0.00 59.36 60.13 2kpo h GLU 88 Cb 0.87 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 2kpo h GLU 88 CO -0.01 -0.59 0.45 0.00 -1.16 0.00 0.00 179.01 177.70 2kpo h ALA 89 N -1.12 1.24 -0.09 3.43 0.00 -1.39 -0.09 119.26 121.24 2kpo h ALA 89 Ca -0.10 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kpo h ALA 89 Cb 0.74 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2kpo h ALA 89 CO 0.16 -0.03 -0.13 0.87 0.00 0.00 0.00 179.25 180.11 2kpo h LYS 90 N 0.67 -0.17 0.23 0.00 1.57 -1.15 -2.16 116.57 115.56 2kpo h LYS 90 Ca 0.44 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2kpo h LYS 90 Cb 0.56 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2kpo h LYS 90 CO -0.33 -0.12 -0.11 -0.09 -0.57 0.00 0.00 179.45 178.24 2kpo h ARG 91 N -0.18 -0.30 -0.88 3.15 2.43 -0.57 -2.91 114.38 115.12 2kpo h ARG 91 Ca 0.08 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.39 2kpo h ARG 91 Cb 0.29 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 2kpo h ARG 91 CO -0.20 -0.07 0.57 -1.49 -1.51 0.00 0.00 179.97 177.27 2kpo h TRP 92 N -0.49 0.86 -0.49 2.20 4.06 -0.99 0.18 115.95 121.29 2kpo h TRP 92 Ca -0.03 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 2kpo h TRP 92 Cb 0.37 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 2kpo h TRP 92 CO -0.01 0.36 0.17 0.82 -3.56 0.00 0.00 178.44 176.22 2kpo h ILE 93 N 0.77 1.22 0.37 1.49 2.04 -1.37 -0.09 117.51 121.94 2kpo h ILE 93 Ca 0.42 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2kpo h ILE 93 Cb 0.56 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2kpo h ILE 93 CO -0.19 0.26 -0.18 0.50 0.00 0.00 0.00 178.15 178.54 2kpo h LYS 94 N 0.65 -0.49 -0.69 2.37 3.64 -0.75 -0.83 116.57 120.47 2kpo h LYS 94 Ca 0.16 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.72 2kpo h LYS 94 Cb 0.23 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 2kpo h LYS 94 CO -0.01 -0.27 0.14 0.93 -2.27 0.00 0.00 179.45 177.96 2kpo h GLU 95 N -0.58 0.23 -0.45 1.90 4.39 -0.68 0.25 114.58 119.64 2kpo h GLU 95 Ca -0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2kpo h GLU 95 Cb 0.43 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2kpo h GLU 95 CO 0.08 0.16 0.25 0.35 -1.16 0.00 0.00 179.01 178.69 2kpo h PHE 96 N 0.24 0.62 0.00 4.33 3.04 -0.89 -1.45 116.94 122.82 2kpo h PHE 96 Ca 0.38 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.24 2kpo h PHE 96 Cb 0.63 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 2kpo h PHE 96 CO -0.28 0.46 -0.35 1.03 -2.02 0.00 0.00 178.31 177.15 2kpo h SER 97 N 0.59 0.00 0.71 0.41 0.87 0.17 -1.07 113.55 115.23 2kpo h SER 97 Ca 0.16 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 2kpo h SER 97 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2kpo h SER 97 CO -0.03 0.35 -0.65 -0.33 -0.53 0.00 0.00 176.83 175.65 2kpo h GLU 98 N 0.00 0.00 0.00 2.24 4.39 -0.18 -3.35 114.58 117.68 2kpo h GLU 98 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kpo h GLU 98 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kpo h GLU 98 CO 0.05 0.65 -0.05 0.93 -1.16 0.00 0.00 179.01 179.43 2kpo h GLU 99 N 0.00 0.00 0.00 2.33 4.39 -0.86 -3.48 114.58 116.96 2kpo h GLU 99 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kpo h GLU 99 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2kpo h GLU 99 CO 0.08 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 2kpo n GLY 100 N 1.79 0.45 5.00 -3.84 0.00 -0.44 -4.13 105.19 104.01 2kpo n GLY 100 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.75 1.46 3.15 -0.02 0.00 -1.26 -4.63 105.19 102.13 2kpo n GLY 101 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2kpo n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kpo s SER 102 N 0.00 -1.06 -0.06 1.61 0.15 -1.26 -5.05 113.70 108.03 2kpo s SER 102 Ca 0.00 0.54 0.05 0.00 0.70 0.00 0.00 55.95 57.24 2kpo s SER 102 Cb 0.00 1.84 -0.07 0.00 -1.71 0.00 0.00 66.02 66.08 2kpo s SER 102 CO 0.00 -0.20 0.01 0.18 1.20 0.00 0.00 173.24 174.43 2kpo n LEU 103 N 5.42 0.44 -4.71 3.45 4.77 -1.26 -4.92 117.00 120.18 2kpo n LEU 103 Ca -0.01 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 2kpo n LEU 103 Cb 0.53 0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.84 2kpo n LEU 103 CO -0.04 0.22 0.68 -1.61 -1.33 0.00 0.00 177.39 175.32 2kpo s GLU 104 N -2.15 1.54 0.22 3.23 0.41 -1.26 -4.92 118.70 115.77 2kpo s GLU 104 Ca -0.04 1.28 -0.32 0.00 -0.41 0.00 0.00 54.97 55.48 2kpo s GLU 104 Cb 0.02 -1.81 -0.14 0.00 -1.78 0.00 0.00 34.13 30.42 2kpo s GLU 104 CO 0.24 -2.18 1.36 -2.39 -0.49 0.00 0.00 175.26 171.81 2kpo n HIS 105 N -3.90 1.99 -1.78 1.61 1.44 -1.26 -4.94 115.22 108.38 2kpo n HIS 105 Ca 0.10 0.48 -0.40 0.00 -2.01 0.00 0.00 57.72 55.89 2kpo n HIS 105 Cb 0.53 -2.43 0.01 0.00 0.12 0.00 0.00 29.99 28.23 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 -0.06 2.46 -0.23 -1.40 -3.43 -1.26 -5.03 115.29 106.34 2kpo s HIS 106 Ca 0.69 1.23 -0.07 0.00 -0.80 0.00 0.00 55.06 56.12 2kpo s HIS 106 Cb -0.69 -3.96 0.11 0.00 -1.43 0.00 0.00 32.58 26.61 2kpo s HIS 106 CO 0.50 -3.01 0.48 -3.38 -2.00 0.00 0.00 174.74 167.33 2kpo s HIS 107 N -1.18 -0.97 0.45 0.38 -3.43 -1.26 -5.15 115.29 104.13 2kpo s HIS 107 Ca 0.60 1.66 -0.24 0.00 -0.80 0.00 0.00 55.06 56.27 2kpo s HIS 107 Cb -0.45 0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 31.04 2kpo s HIS 107 CO 0.58 -0.57 1.31 -1.58 -2.00 0.00 0.00 174.74 172.49 2kpo s HIS 108 N 2.69 2.64 -0.10 0.38 5.65 -1.26 -4.50 115.29 120.79 2kpo s HIS 108 Ca -0.00 1.40 -0.07 0.00 0.25 0.00 0.00 55.06 56.64 2kpo s HIS 108 Cb -0.12 -3.70 0.03 0.00 -1.18 0.00 0.00 32.58 27.61 2kpo s HIS 108 CO -0.15 -2.33 0.14 1.58 -0.65 0.00 0.00 174.74 173.33 2kpo n HIS 109 N -0.29 -2.53 -0.70 3.88 -0.00 -1.26 -5.33 115.22 108.99 2kpo n HIS 109 Ca 0.06 1.47 0.00 0.00 -0.00 0.00 0.00 57.72 59.25 2kpo n HIS 109 Cb 0.44 -2.87 0.00 0.00 -0.00 0.00 0.00 29.99 27.57 2kpo n HIS 109 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95