#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 3.40 -0.19 -0.89 1.02 0.46 -5.02 118.68 117.46 2kpo s LEU 2 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.17 2kpo s LEU 2 Cb 0.00 -1.79 0.05 0.00 0.02 0.00 0.00 46.19 44.47 2kpo s LEU 2 CO 0.00 0.30 -0.07 -0.76 0.02 0.00 0.00 176.35 175.85 2kpo s LEU 3 N -0.44 1.99 0.20 1.79 1.43 -1.26 -0.39 118.68 122.00 2kpo s LEU 3 Ca 0.07 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.43 2kpo s LEU 3 Cb -0.12 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 2kpo s LEU 3 CO 0.02 -0.18 -0.09 -0.31 0.23 0.00 0.00 176.35 176.02 2kpo s TYR 4 N 1.52 2.62 -0.06 0.29 1.51 0.06 -3.40 117.35 119.88 2kpo s TYR 4 Ca -0.01 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 2kpo s TYR 4 Cb -0.16 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 2kpo s TYR 4 CO -0.08 0.54 -0.08 0.08 -1.11 0.00 0.00 175.55 174.90 2kpo s VAL 5 N -1.86 0.88 -0.19 0.71 1.01 0.02 -0.80 120.40 120.16 2kpo s VAL 5 Ca 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2kpo s VAL 5 Cb -0.08 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2kpo s VAL 5 CO 0.16 0.31 0.01 -0.76 0.00 0.00 0.00 175.10 174.82 2kpo s LEU 6 N 0.93 3.38 -0.30 3.92 1.43 0.11 -0.49 118.68 127.65 2kpo s LEU 6 Ca -0.10 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2kpo s LEU 6 Cb -0.15 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2kpo s LEU 6 CO 0.01 0.10 0.01 -0.51 0.23 0.00 0.00 176.35 176.18 2kpo s ILE 7 N 0.80 3.03 -0.49 -0.59 2.07 -0.66 -0.98 121.20 124.38 2kpo s ILE 7 Ca 0.01 -1.39 -0.16 0.00 -1.41 0.00 0.00 60.65 57.70 2kpo s ILE 7 Cb -0.14 -2.75 0.08 0.00 0.13 0.00 0.00 42.46 39.78 2kpo s ILE 7 CO 0.02 -0.13 0.44 -0.63 -1.91 0.00 0.00 174.94 172.74 2kpo s ILE 8 N 1.25 5.19 0.10 2.00 1.01 0.64 -1.52 121.20 129.87 2kpo s ILE 8 Ca -0.05 -1.10 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 2kpo s ILE 8 Cb -0.20 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.13 2kpo s ILE 8 CO -0.01 -0.67 0.51 -0.55 0.00 0.00 0.00 174.94 174.22 2kpo s SER 9 N 2.83 -0.42 0.00 3.58 0.15 -1.26 -2.54 113.70 116.05 2kpo s SER 9 Ca 0.05 -0.01 0.12 0.00 0.70 0.00 0.00 55.95 56.81 2kpo s SER 9 Cb -0.25 0.52 0.30 0.00 -1.71 0.00 0.00 66.02 64.88 2kpo s SER 9 CO 0.06 -0.83 1.22 0.59 1.20 0.00 0.00 173.24 175.49 2kpo n ASN 10 N 0.01 2.88 -4.28 5.45 4.13 -1.26 -4.90 115.26 117.29 2kpo n ASN 10 Ca -0.17 -1.92 -0.34 0.00 1.68 0.00 0.00 54.58 53.84 2kpo n ASN 10 Cb 0.63 -0.22 -0.15 0.00 -1.54 0.00 0.00 39.78 38.50 2kpo n ASN 10 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kpo s ASP 11 N -1.01 3.82 0.36 6.41 3.68 -1.26 -5.01 116.67 123.66 2kpo s ASP 11 Ca 0.24 -0.45 0.19 0.00 2.13 0.00 0.00 52.55 54.67 2kpo s ASP 11 Cb 0.13 -1.61 0.54 0.00 -1.45 0.00 0.00 42.92 40.53 2kpo s ASP 11 CO 0.18 0.06 1.66 0.11 0.13 0.00 0.00 175.17 177.31 2kpo h LYS 12 N 7.48 0.00 -0.22 4.34 1.79 -1.99 -2.75 116.57 125.21 2kpo h LYS 12 Ca -0.35 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.04 2kpo h LYS 12 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2kpo h LYS 12 CO 0.59 0.38 -0.15 0.87 -1.08 0.00 0.00 179.45 180.05 2kpo h LYS 13 N 0.00 0.50 -0.91 3.15 6.56 -1.99 -0.61 116.57 123.27 2kpo h LYS 13 Ca -0.00 -0.24 0.05 0.00 -1.06 0.00 0.00 60.65 59.40 2kpo h LYS 13 Cb 1.02 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.62 2kpo h LYS 13 CO 0.05 0.80 0.58 1.25 -2.06 0.00 0.00 179.45 180.07 2kpo h LEU 14 N 0.20 0.94 -0.47 2.94 6.46 -1.95 -0.80 115.31 122.63 2kpo h LEU 14 Ca 0.04 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2kpo h LEU 14 Cb 0.67 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 2kpo h LEU 14 CO 0.04 0.62 0.25 0.40 -0.62 0.00 0.00 178.44 179.13 2kpo h ILE 15 N 1.08 1.17 0.07 4.05 2.04 -1.28 -1.18 117.51 123.47 2kpo h ILE 15 Ca 0.38 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2kpo h ILE 15 Cb 0.11 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2kpo h ILE 15 CO -0.15 0.18 -0.10 -0.33 0.00 0.00 0.00 178.15 177.75 2kpo h GLU 16 N 0.61 -0.20 -0.89 2.37 4.39 -0.55 -0.36 114.58 119.95 2kpo h GLU 16 Ca 0.16 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.98 2kpo h GLU 16 Cb 0.06 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 2kpo h GLU 16 CO -0.03 -0.13 0.53 0.93 -1.16 0.00 0.00 179.01 179.15 2kpo h GLU 17 N -0.21 0.85 -0.40 2.33 4.39 -1.06 -1.49 114.58 118.99 2kpo h GLU 17 Ca 0.01 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2kpo h GLU 17 Cb 0.21 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kpo h GLU 17 CO -0.05 0.56 0.08 0.00 -1.16 0.00 0.00 179.01 178.45 2kpo h ALA 18 N 1.48 0.53 -0.22 3.43 0.00 -0.86 -3.15 119.26 120.47 2kpo h ALA 18 Ca 0.43 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2kpo h ALA 18 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kpo h ALA 18 CO -0.25 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.34 2kpo h ARG 19 N 0.50 0.24 -0.67 0.00 3.08 -0.40 -1.91 114.38 115.22 2kpo h ARG 19 Ca 0.12 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.30 2kpo h ARG 19 Cb 0.34 -0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.21 2kpo h ARG 19 CO 0.00 0.16 -0.05 0.87 -1.07 0.00 0.00 179.97 179.88 2kpo h LYS 20 N 0.25 0.07 -0.26 0.04 1.57 -1.26 0.27 116.57 117.25 2kpo h LYS 20 Ca 0.09 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2kpo h LYS 20 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2kpo h LYS 20 CO -0.05 0.05 0.03 0.52 -0.57 0.00 0.00 179.45 179.43 2kpo h MET 21 N 0.07 0.44 -0.30 3.15 2.86 -1.49 -2.88 114.93 116.79 2kpo h MET 21 Ca 0.35 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 2kpo h MET 21 Cb 0.58 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2kpo h MET 21 CO -0.62 0.58 0.20 0.00 1.06 0.00 0.00 176.91 178.13 2kpo h ALA 22 N 0.84 1.80 -0.32 6.32 0.00 -0.27 -0.73 119.26 126.91 2kpo h ALA 22 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2kpo h ALA 22 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kpo h ALA 22 CO 0.01 0.18 -0.35 0.93 0.00 0.00 0.00 179.25 180.02 2kpo h GLU 23 N 0.39 0.74 -0.29 0.00 5.08 -0.43 0.61 114.58 120.68 2kpo h GLU 23 Ca 0.11 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 2kpo h GLU 23 Cb -0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2kpo h GLU 23 CO -0.02 0.98 -0.16 0.87 -1.00 0.00 0.00 179.01 179.68 2kpo h LYS 24 N 0.62 0.62 0.00 2.33 6.56 -1.14 -3.14 116.57 122.42 2kpo h LYS 24 Ca 0.06 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 2kpo h LYS 24 Cb 0.89 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2kpo h LYS 24 CO 0.08 0.86 0.00 0.00 -2.06 0.00 0.00 179.45 178.33 2kpo n ALA 25 N -2.44 2.30 -3.16 3.86 0.00 -0.36 -4.94 120.51 115.77 2kpo n ALA 25 Ca -0.03 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 2kpo n ALA 25 Cb 0.38 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.92 -5.55 -4.82 0.00 3.02 0.20 -5.01 115.26 101.18 2kpo n ASN 26 Ca 0.06 -0.35 -0.37 0.00 -0.03 0.00 0.00 54.58 53.89 2kpo n ASN 26 Cb 0.39 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 35.22 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kpo s LEU 27 N -5.98 4.40 -0.52 3.41 1.43 -0.17 -5.02 118.68 116.22 2kpo s LEU 27 Ca 0.38 0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 53.94 2kpo s LEU 27 Cb -0.17 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2kpo s LEU 27 CO 0.47 0.28 2.01 -1.61 0.23 0.00 0.00 176.35 177.73 2kpo s GLU 28 N -0.66 2.61 -0.30 1.70 0.41 -1.22 -4.72 118.70 116.52 2kpo s GLU 28 Ca 0.20 1.00 -0.14 0.00 -0.41 0.00 0.00 54.97 55.62 2kpo s GLU 28 Cb -0.15 -4.41 -0.03 0.00 -1.78 0.00 0.00 34.13 27.76 2kpo s GLU 28 CO 0.09 -2.72 0.34 -1.17 -0.49 0.00 0.00 175.26 171.31 2kpo s LEU 29 N 9.55 4.20 -0.12 1.80 0.20 -1.26 -0.80 118.68 132.25 2kpo s LEU 29 Ca 0.78 0.03 -0.02 0.00 0.69 0.00 0.00 54.13 55.61 2kpo s LEU 29 Cb -0.16 -2.34 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2kpo s LEU 29 CO 0.25 -0.23 -0.04 -0.13 -0.29 0.00 0.00 176.35 175.90 2kpo s ARG 30 N 2.00 3.27 0.01 1.98 1.81 0.36 -4.99 118.95 123.40 2kpo s ARG 30 Ca 0.12 -0.52 -0.22 0.00 -1.72 0.00 0.00 55.73 53.40 2kpo s ARG 30 Cb -0.16 -2.79 -0.05 0.00 -0.45 0.00 0.00 34.95 31.50 2kpo s ARG 30 CO 0.11 0.44 0.66 0.95 -0.68 0.00 0.00 175.30 176.78 2kpo s THR 31 N -0.20 4.84 -0.19 0.02 -4.23 -1.26 -1.65 115.64 112.96 2kpo s THR 31 Ca 0.03 1.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.95 2kpo s THR 31 Cb -0.13 -4.00 0.04 0.00 1.34 0.00 0.00 72.50 69.74 2kpo s THR 31 CO 0.02 0.40 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.68 2kpo s VAL 32 N -0.13 1.81 -0.21 2.29 1.01 -0.57 -4.92 120.40 119.67 2kpo s VAL 32 Ca 0.34 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2kpo s VAL 32 Cb -0.19 -1.79 -0.19 0.00 0.00 0.00 0.00 36.38 34.20 2kpo s VAL 32 CO 0.19 0.28 0.04 0.29 0.00 0.00 0.00 175.10 175.90 2kpo n LYS 33 N 4.65 0.65 -4.36 2.72 5.02 -1.26 -3.98 118.16 121.60 2kpo n LYS 33 Ca -0.17 0.30 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 2kpo n LYS 33 Cb 0.47 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.50 2.99 0.27 -0.18 -4.23 -1.26 -4.99 115.64 105.76 2kpo s THR 34 Ca -0.30 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 2kpo s THR 34 Cb 0.09 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.64 2kpo s THR 34 CO 0.63 -0.31 1.83 -0.08 -0.54 0.00 0.00 174.62 176.15 2kpo h GLU 35 N 2.31 0.95 -0.80 3.99 4.81 -2.01 -1.95 114.58 121.89 2kpo h GLU 35 Ca -0.43 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2kpo h GLU 35 Cb 1.24 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2kpo h GLU 35 CO 0.58 0.63 0.40 0.22 -0.73 0.00 0.00 179.01 180.11 2kpo h ASP 36 N 0.98 1.02 -0.76 1.04 1.82 -1.99 -2.33 116.42 116.19 2kpo h ASP 36 Ca 0.48 -0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.97 2kpo h ASP 36 Cb 0.45 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 2kpo h ASP 36 CO -0.26 0.84 0.30 -0.33 -1.61 0.00 0.00 179.24 178.19 2kpo h GLU 37 N 1.12 1.15 -0.24 0.28 5.08 -1.77 0.22 114.58 120.42 2kpo h GLU 37 Ca 0.28 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2kpo h GLU 37 Cb 0.08 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 2kpo h GLU 37 CO -0.04 0.93 -0.24 1.25 -1.00 0.00 0.00 179.01 179.91 2kpo h LEU 38 N 1.12 -0.78 -1.05 1.33 7.12 -1.08 -0.05 115.31 121.92 2kpo h LEU 38 Ca 0.26 0.14 0.05 0.00 0.13 0.00 0.00 57.88 58.45 2kpo h LEU 38 Cb 0.22 0.37 -0.06 0.00 -0.53 0.00 0.00 40.66 40.65 2kpo h LEU 38 CO -0.02 -0.28 0.64 0.50 -0.13 0.00 0.00 178.44 179.15 2kpo h LYS 39 N -0.25 1.16 -0.44 1.25 3.64 -1.03 -1.45 116.57 119.45 2kpo h LYS 39 Ca 0.14 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2kpo h LYS 39 Cb 0.46 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 2kpo h LYS 39 CO -0.39 0.77 0.17 -0.22 -2.27 0.00 0.00 179.45 177.51 2kpo h LYS 40 N 1.19 0.34 -0.04 1.90 3.64 0.77 -2.28 116.57 122.09 2kpo h LYS 40 Ca 0.40 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.60 2kpo h LYS 40 Cb 0.07 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2kpo h LYS 40 CO -0.14 0.23 -0.67 1.88 -2.27 0.00 0.00 179.45 178.48 2kpo h TYR 41 N 0.36 0.27 -0.66 1.91 0.05 -0.72 -2.87 116.97 115.30 2kpo h TYR 41 Ca 0.20 -0.11 0.07 0.00 0.05 0.00 0.00 58.73 58.94 2kpo h TYR 41 Cb 0.17 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 2kpo h TYR 41 CO -0.14 0.81 0.43 -0.07 -1.05 0.00 0.00 178.16 178.14 2kpo h LEU 42 N 0.14 0.55 -0.82 3.88 3.38 -0.86 0.12 115.31 121.69 2kpo h LEU 42 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2kpo h LEU 42 Cb 1.20 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2kpo h LEU 42 CO 0.10 0.35 0.36 -0.33 0.09 0.00 0.00 178.44 179.01 2kpo h GLU 43 N 0.62 1.21 -0.43 1.13 4.39 -1.20 -0.09 114.58 120.22 2kpo h GLU 43 Ca 0.29 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2kpo h GLU 43 Cb 0.33 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2kpo h GLU 43 CO -0.09 0.96 -0.08 1.49 -1.16 0.00 0.00 179.01 180.13 2kpo h GLU 44 N 1.19 0.74 -0.30 2.33 4.81 -1.00 -3.18 114.58 119.17 2kpo h GLU 44 Ca 0.28 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 2kpo h GLU 44 Cb 0.18 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2kpo h GLU 44 CO -0.03 0.80 -0.34 0.74 -0.73 0.00 0.00 179.01 179.45 2kpo h PHE 45 N 0.68 0.92 -0.10 0.92 0.05 -0.43 -3.13 116.94 115.84 2kpo h PHE 45 Ca 0.12 -0.29 0.03 0.00 3.82 0.00 0.00 57.97 61.65 2kpo h PHE 45 Cb 0.53 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.29 2kpo h PHE 45 CO 0.03 1.06 0.08 0.00 -0.18 0.00 0.00 178.31 179.30 2kpo h ARG 46 N 0.51 0.00 -0.97 1.51 3.08 -1.00 0.18 114.38 117.69 2kpo h ARG 46 Ca 0.04 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.20 2kpo h ARG 46 Cb 0.92 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.90 2kpo h ARG 46 CO 0.08 0.00 0.62 0.87 -1.07 0.00 0.00 179.97 180.47 2kpo h LYS 47 N 0.00 0.96 -0.31 0.04 1.57 -1.56 -2.28 116.57 114.99 2kpo h LYS 47 Ca 0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kpo h LYS 47 Cb 0.21 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2kpo h LYS 47 CO -0.00 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 179.91 2kpo n GLU 48 N -4.56 3.00 -0.18 3.15 -0.58 0.28 -4.68 120.64 117.06 2kpo n GLU 48 Ca 0.17 -2.61 0.30 0.00 -0.42 0.00 0.00 57.16 54.59 2kpo n GLU 48 Cb 0.31 -1.69 0.70 0.00 -0.57 0.00 0.00 31.44 30.20 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 2.00 0.00 -0.77 1.62 0.87 -0.17 0.16 113.55 117.26 2kpo h SER 49 Ca 0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 2kpo h SER 49 Cb 1.25 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.10 2kpo h SER 49 CO 0.16 0.00 0.26 1.56 -0.53 0.00 0.00 176.83 178.29 2kpo h GLN 50 N 0.00 0.36 0.00 2.24 1.08 -1.83 -3.31 115.11 113.64 2kpo h GLN 50 Ca 0.44 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 2kpo h GLN 50 Cb 1.99 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2kpo h GLN 50 CO -0.00 0.24 -0.42 0.09 -0.95 0.00 0.00 178.83 177.78 2kpo n ASN 51 N -5.07 0.25 -4.84 1.46 3.02 0.40 -5.10 115.26 105.39 2kpo n ASN 51 Ca 0.15 -2.06 -0.36 0.00 -0.03 0.00 0.00 54.58 52.28 2kpo n ASN 51 Cb 0.47 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.30 5.21 0.05 2.41 2.07 -0.32 -0.40 121.20 129.92 2kpo s ILE 52 Ca 0.03 0.04 0.09 0.00 -1.41 0.00 0.00 60.65 59.40 2kpo s ILE 52 Cb 0.03 -3.28 -0.03 0.00 0.13 0.00 0.00 42.46 39.31 2kpo s ILE 52 CO 0.00 0.57 -0.25 -0.54 -1.91 0.00 0.00 174.94 172.81 2kpo s LYS 53 N -1.14 1.66 -0.06 3.50 1.02 0.48 -4.90 119.74 120.30 2kpo s LYS 53 Ca 0.16 -1.10 0.03 0.00 0.02 0.00 0.00 55.97 55.08 2kpo s LYS 53 Cb -0.12 -1.86 0.01 0.00 -0.52 0.00 0.00 37.83 35.34 2kpo s LYS 53 CO 0.06 0.47 -0.14 0.08 -0.92 0.00 0.00 175.35 174.90 2kpo s VAL 54 N -0.83 1.27 -0.11 3.17 1.01 -1.23 -0.76 120.40 122.91 2kpo s VAL 54 Ca 0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2kpo s VAL 54 Cb -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2kpo s VAL 54 CO 0.02 0.38 0.04 -0.22 0.00 0.00 0.00 175.10 175.32 2kpo s LEU 55 N 0.47 3.77 -0.09 3.92 2.96 0.02 -0.59 118.68 129.13 2kpo s LEU 55 Ca -0.12 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2kpo s LEU 55 Cb -0.15 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.67 2kpo s LEU 55 CO 0.04 0.34 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.68 2kpo s ILE 56 N -0.61 1.07 -0.18 6.68 1.01 0.42 0.04 121.20 129.62 2kpo s ILE 56 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 2kpo s ILE 56 Cb -0.12 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2kpo s ILE 56 CO 0.02 0.36 -0.04 -0.76 0.00 0.00 0.00 174.94 174.52 2kpo s LEU 57 N 1.26 3.05 0.19 2.97 2.01 -0.15 -0.48 118.68 127.52 2kpo s LEU 57 Ca -0.03 -0.26 0.10 0.00 0.01 0.00 0.00 54.13 53.94 2kpo s LEU 57 Cb -0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.26 2kpo s LEU 57 CO -0.03 0.08 -0.21 0.68 1.01 0.00 0.00 176.35 177.88 2kpo s VAL 58 N 0.90 2.08 -0.01 -1.59 -7.23 -0.05 -0.26 120.40 114.24 2kpo s VAL 58 Ca -0.01 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 2kpo s VAL 58 Cb -0.15 -1.99 -0.34 0.00 0.56 0.00 0.00 36.38 34.47 2kpo s VAL 58 CO 0.01 -0.25 0.93 -1.28 -0.31 0.00 0.00 175.10 174.21 2kpo h SER 59 N 3.14 0.68 -3.75 4.85 0.87 -1.68 0.50 113.55 118.15 2kpo h SER 59 Ca -0.44 -0.93 -0.39 0.00 -1.23 0.00 0.00 61.79 58.80 2kpo h SER 59 Cb 1.21 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.81 2kpo h SER 59 CO 0.51 1.59 -0.67 0.20 -0.53 0.00 0.00 176.83 177.92 2kpo s ASN 60 N -7.32 1.96 0.48 6.23 0.01 -1.26 -4.64 114.94 110.39 2kpo s ASN 60 Ca -0.11 -1.18 0.23 0.00 -0.71 0.00 0.00 52.86 51.09 2kpo s ASN 60 Cb 0.03 -0.02 1.20 0.00 0.41 0.00 0.00 41.25 42.87 2kpo s ASN 60 CO 0.89 -0.45 1.98 0.44 -1.51 0.00 0.00 177.10 178.45 2kpo h ASP 61 N 2.50 0.00 -0.17 -1.22 3.32 -1.98 -0.30 116.42 118.57 2kpo h ASP 61 Ca -0.38 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 2kpo h ASP 61 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2kpo h ASP 61 CO 0.65 0.19 0.01 -0.33 -1.72 0.00 0.00 179.24 178.03 2kpo h GLU 62 N 0.00 0.29 -0.73 3.56 3.07 -1.99 0.70 114.58 119.48 2kpo h GLU 62 Ca -0.00 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2kpo h GLU 62 Cb 0.45 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 2kpo h GLU 62 CO 0.02 0.49 0.44 0.93 -1.40 0.00 0.00 179.01 179.50 2kpo h GLU 63 N 0.05 0.82 -0.13 2.33 4.39 -1.84 -2.13 114.58 118.08 2kpo h GLU 63 Ca 0.05 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2kpo h GLU 63 Cb 0.35 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2kpo h GLU 63 CO 0.01 0.54 -0.09 1.25 -1.16 0.00 0.00 179.01 179.56 2kpo h LEU 64 N 0.85 -0.28 0.03 1.33 5.85 -0.87 -0.97 115.31 121.25 2kpo h LEU 64 Ca 0.31 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.10 2kpo h LEU 64 Cb 0.09 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2kpo h LEU 64 CO -0.14 -0.12 -0.09 -0.78 -0.34 0.00 0.00 178.44 176.98 2kpo h ASP 65 N -0.09 -0.24 -0.55 1.25 1.82 -0.51 -2.43 116.42 115.66 2kpo h ASP 65 Ca 0.08 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.68 2kpo h ASP 65 Cb 0.21 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2kpo h ASP 65 CO -0.19 -0.13 0.06 0.11 -1.61 0.00 0.00 179.24 177.49 2kpo h LYS 66 N -0.16 0.93 -0.08 0.28 1.79 -1.33 0.20 116.57 118.20 2kpo h LYS 66 Ca 0.02 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 2kpo h LYS 66 Cb 0.19 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 2kpo h LYS 66 CO -0.06 0.91 -0.13 0.00 -1.08 0.00 0.00 179.45 179.09 2kpo h ALA 67 N 0.98 -0.09 -0.19 3.86 0.00 -1.03 -0.52 119.26 122.27 2kpo h ALA 67 Ca 0.16 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2kpo h ALA 67 Cb 0.45 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kpo h ALA 67 CO 0.02 -0.60 -0.54 1.57 0.00 0.00 0.00 179.25 179.69 2kpo h LYS 68 N -0.18 0.58 -0.07 0.00 2.10 -1.41 -2.73 116.57 114.86 2kpo h LYS 68 Ca 0.07 -0.36 0.02 0.00 -2.00 0.00 0.00 60.65 58.38 2kpo h LYS 68 Cb 0.28 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2kpo h LYS 68 CO -0.18 0.97 -0.07 1.49 -2.00 0.00 0.00 179.45 179.66 2kpo h GLU 69 N 0.44 -0.09 0.04 0.07 4.22 -0.63 -0.16 114.58 118.48 2kpo h GLU 69 Ca 0.01 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.46 2kpo h GLU 69 Cb 1.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2kpo h GLU 69 CO 0.10 -0.06 -0.06 -0.07 -2.18 0.00 0.00 179.01 176.74 2kpo h LEU 70 N -0.09 -0.17 -0.53 1.64 3.38 -1.14 -2.36 115.31 116.04 2kpo h LEU 70 Ca 0.05 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2kpo h LEU 70 Cb 0.17 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2kpo h LEU 70 CO -0.12 -0.10 0.15 0.00 0.09 0.00 0.00 178.44 178.46 2kpo h ALA 71 N 0.82 0.63 -0.32 1.53 0.00 -1.21 0.18 119.26 120.89 2kpo h ALA 71 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2kpo h ALA 71 Cb 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2kpo h ALA 71 CO -0.03 -0.26 0.14 1.96 0.00 0.00 0.00 179.25 181.06 2kpo h GLN 72 N 0.31 0.29 0.00 0.00 4.20 -0.93 0.24 115.11 119.22 2kpo h GLN 72 Ca 0.26 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 2kpo h GLN 72 Cb 0.33 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2kpo h GLN 72 CO -0.30 0.19 -0.13 0.87 -0.67 0.00 0.00 178.83 178.79 2kpo h LYS 73 N 0.30 0.00 -0.01 1.46 1.57 -0.84 -1.10 116.57 117.95 2kpo h LYS 73 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kpo h LYS 73 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kpo h LYS 73 CO -0.11 0.13 -0.19 -1.33 -0.57 0.00 0.00 179.45 177.38 2kpo n MET 74 N -3.57 1.36 -1.93 3.15 2.81 -0.01 -4.96 117.12 113.96 2kpo n MET 74 Ca -0.01 -0.93 -0.15 0.00 -1.81 0.00 0.00 57.70 54.80 2kpo n MET 74 Cb 0.26 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 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 -0.01 -1.11 -3.79 0.03 1.02 0.65 -5.00 120.64 112.43 2kpo n GLU 75 Ca 0.14 0.84 -0.36 0.00 -0.02 0.00 0.00 57.16 57.76 2kpo n GLU 75 Cb 0.41 -5.08 -0.10 0.00 -0.02 0.00 0.00 31.44 26.65 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 -2.66 5.01 -0.52 -3.67 1.01 -0.05 -5.00 121.20 115.32 2kpo s ILE 76 Ca 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 2kpo s ILE 76 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.17 2kpo s ILE 76 CO 0.00 0.38 1.38 -1.81 0.00 0.00 0.00 174.94 174.89 2kpo s ASP 77 N 0.93 6.24 0.11 3.58 1.01 -1.26 -4.38 116.67 122.89 2kpo s ASP 77 Ca 0.06 0.42 0.10 0.00 0.71 0.00 0.00 52.55 53.84 2kpo s ASP 77 Cb -0.13 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2kpo s ASP 77 CO 0.03 -1.59 -0.26 0.68 0.21 0.00 0.00 175.17 174.24 2kpo s VAL 78 N 5.72 2.15 -0.73 -1.27 -7.23 -1.26 -3.55 120.40 114.23 2kpo s VAL 78 Ca 0.54 -1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 58.91 2kpo s VAL 78 Cb -0.11 -1.89 0.17 0.00 0.56 0.00 0.00 36.38 35.11 2kpo s VAL 78 CO 0.27 0.13 0.72 -0.13 -0.31 0.00 0.00 175.10 175.78 2kpo s ARG 79 N -1.85 3.36 -0.33 4.82 0.52 0.24 -4.98 118.95 120.73 2kpo s ARG 79 Ca 0.12 -2.04 -0.25 0.00 -0.52 0.00 0.00 55.73 53.04 2kpo s ARG 79 Cb -0.10 -4.42 0.01 0.00 0.52 0.00 0.00 34.95 30.96 2kpo s ARG 79 CO 0.05 -1.38 0.86 0.95 0.02 0.00 0.00 175.30 175.80 2kpo s THR 80 N 1.12 4.69 0.09 0.02 -4.23 -1.26 -0.44 115.64 115.62 2kpo s THR 80 Ca 0.14 1.21 0.06 0.00 -1.18 0.00 0.00 61.69 61.92 2kpo s THR 80 Cb -0.17 -4.24 -0.03 0.00 1.34 0.00 0.00 72.50 69.40 2kpo s THR 80 CO -0.04 -0.39 -0.15 -0.13 -0.54 0.00 0.00 174.62 173.37 2kpo s ARG 81 N 3.21 0.92 -0.14 3.99 1.81 0.36 -4.99 118.95 124.10 2kpo s ARG 81 Ca 0.35 -1.05 -0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2kpo s ARG 81 Cb -0.13 -0.95 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 2kpo s ARG 81 CO 0.15 0.21 0.02 0.21 -0.68 0.00 0.00 175.30 175.21 2kpo s LYS 82 N -1.97 3.60 -0.02 3.54 2.20 -1.26 -0.87 119.74 124.96 2kpo s LYS 82 Ca 0.02 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2kpo s LYS 82 Cb -0.09 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 2kpo s LYS 82 CO 0.03 0.41 -0.07 0.14 -0.36 0.00 0.00 175.35 175.50 2kpo s VAL 83 N -0.06 0.61 -0.10 4.02 -7.23 0.17 -4.90 120.40 112.91 2kpo s VAL 83 Ca 0.05 -0.27 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 2kpo s VAL 83 Cb -0.12 -0.56 -0.08 0.00 0.56 0.00 0.00 36.38 36.18 2kpo s VAL 83 CO 0.02 0.20 0.16 0.35 -0.31 0.00 0.00 175.10 175.52 2kpo n THR 84 N 3.32 0.00 -4.88 5.32 -2.24 -1.26 -4.33 114.28 110.22 2kpo n THR 84 Ca -0.18 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.06 2kpo n THR 84 Cb 0.55 0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.24 3.99 0.25 3.42 0.01 -1.26 -5.04 113.70 112.84 2kpo s SER 85 Ca -0.01 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 2kpo s SER 85 Cb 0.04 -1.02 0.48 0.00 0.21 0.00 0.00 66.02 65.73 2kpo s SER 85 CO 0.23 0.30 1.77 -0.65 0.41 0.00 0.00 173.24 175.30 2kpo h PRO 86 N 5.68 0.62 0.00 12.44 0.11 -1.94 -1.18 132.00 147.72 2kpo h PRO 86 Ca -0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2kpo h PRO 86 Cb 1.17 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2kpo h PRO 86 CO 0.51 0.41 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.24 2kpo h ASP 87 N 0.63 0.00 0.49 -2.05 3.32 -1.96 -2.47 116.42 114.38 2kpo h ASP 87 Ca 0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 2kpo h ASP 87 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2kpo h ASP 87 CO -0.34 0.03 -0.24 -0.33 -1.72 0.00 0.00 179.24 176.65 2kpo h GLU 88 N 0.00 -0.63 -0.73 3.56 4.39 -1.64 -2.31 114.58 117.23 2kpo h GLU 88 Ca -0.00 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.82 2kpo h GLU 88 Cb 0.09 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 2kpo h GLU 88 CO 0.00 -0.36 0.39 0.00 -1.16 0.00 0.00 179.01 177.89 2kpo h ALA 89 N -0.36 1.00 -0.58 3.43 0.00 -1.51 -1.22 119.26 120.02 2kpo h ALA 89 Ca -0.07 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2kpo h ALA 89 Cb 0.57 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2kpo h ALA 89 CO 0.11 0.03 0.18 0.87 0.00 0.00 0.00 179.25 180.44 2kpo h LYS 90 N 0.69 0.33 0.16 0.00 1.57 -1.42 -0.48 116.57 117.40 2kpo h LYS 90 Ca 0.34 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 2kpo h LYS 90 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2kpo h LYS 90 CO -0.23 0.22 -0.07 -0.09 -0.57 0.00 0.00 179.45 178.70 2kpo h ARG 91 N 0.34 -0.20 -0.84 3.15 2.43 -0.74 -2.86 114.38 115.66 2kpo h ARG 91 Ca 0.30 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.60 2kpo h ARG 91 Cb 0.39 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 2kpo h ARG 91 CO -0.33 -0.02 0.54 -1.49 -1.51 0.00 0.00 179.97 177.16 2kpo h TRP 92 N -0.34 0.78 -0.67 2.20 4.06 -0.76 0.25 115.95 121.47 2kpo h TRP 92 Ca -0.02 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.97 2kpo h TRP 92 Cb 0.27 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 2kpo h TRP 92 CO -0.03 0.33 0.43 0.82 -3.56 0.00 0.00 178.44 176.43 2kpo h ILE 93 N 0.69 1.13 -0.20 1.49 2.04 -0.98 -0.09 117.51 121.60 2kpo h ILE 93 Ca 0.40 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 2kpo h ILE 93 Cb 0.60 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2kpo h ILE 93 CO -0.17 0.16 -0.07 0.50 0.00 0.00 0.00 178.15 178.57 2kpo h LYS 94 N 0.86 0.39 -0.90 2.37 3.64 -0.67 -0.71 116.57 121.54 2kpo h LYS 94 Ca 0.25 -0.16 0.16 0.00 -1.27 0.00 0.00 60.65 59.64 2kpo h LYS 94 Cb -0.05 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.66 2kpo h LYS 94 CO -0.08 0.66 0.49 0.93 -2.27 0.00 0.00 179.45 179.19 2kpo h GLU 95 N 0.10 0.64 -0.13 1.90 4.39 -0.35 -0.28 114.58 120.84 2kpo h GLU 95 Ca 0.05 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 2kpo h GLU 95 Cb 0.53 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kpo h GLU 95 CO 0.02 0.42 -0.49 0.35 -1.16 0.00 0.00 179.01 178.16 2kpo h PHE 96 N 0.66 0.75 -0.31 4.33 3.04 -0.97 -3.24 116.94 121.20 2kpo h PHE 96 Ca 0.50 -0.31 0.03 0.00 3.98 0.00 0.00 57.97 62.17 2kpo h PHE 96 Cb 0.75 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 2kpo h PHE 96 CO -0.07 1.09 0.21 1.03 -2.02 0.00 0.00 178.31 178.55 2kpo h SER 97 N 0.20 0.28 0.14 0.41 0.87 -0.09 -2.13 113.55 113.23 2kpo h SER 97 Ca -0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2kpo h SER 97 Cb 1.12 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2kpo h SER 97 CO 0.10 0.19 0.00 -0.33 -0.53 0.00 0.00 176.83 176.27 2kpo h GLU 98 N 0.32 0.00 -0.46 2.24 4.39 -1.12 -2.33 114.58 117.63 2kpo h GLU 98 Ca 0.13 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2kpo h GLU 98 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2kpo h GLU 98 CO -0.03 0.00 0.13 0.93 -1.16 0.00 0.00 179.01 178.89 2kpo h GLU 99 N 0.00 0.67 0.00 2.33 5.08 -1.54 -3.46 114.58 117.66 2kpo h GLU 99 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kpo h GLU 99 Cb 0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2kpo h GLU 99 CO 0.00 0.60 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 2kpo n GLY 100 N -1.02 1.31 0.00 -3.84 0.00 -0.88 -4.78 105.19 95.98 2kpo n GLY 100 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.96 1.60 -0.02 0.00 -1.26 -4.81 105.19 101.66 2kpo n GLY 101 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.53 2kpo n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kpo n SER 102 N 0.00 4.76 0.00 1.61 3.41 -1.26 -4.48 113.62 117.65 2kpo n SER 102 Ca 0.00 -2.44 -0.12 0.00 -0.26 0.00 0.00 58.87 56.06 2kpo n SER 102 Cb 0.00 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 2kpo n SER 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kpo h LEU 103 N 4.12 0.09 -8.03 1.04 3.38 -1.87 -3.35 115.31 110.70 2kpo h LEU 103 Ca 0.00 -0.08 -0.68 0.00 0.09 0.00 0.00 57.88 57.20 2kpo h LEU 103 Cb 1.45 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 42.00 2kpo h LEU 103 CO 0.23 0.15 0.70 -1.61 0.09 0.00 0.00 178.44 178.00 2kpo s GLU 104 N -5.86 3.48 0.18 1.13 0.41 -1.26 -5.03 118.70 111.74 2kpo s GLU 104 Ca -0.13 -1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 52.52 2kpo s GLU 104 Cb 0.06 -4.73 -0.08 0.00 -1.78 0.00 0.00 34.13 27.60 2kpo s GLU 104 CO 0.68 -1.74 1.08 -1.01 -0.49 0.00 0.00 175.26 173.77 2kpo s HIS 105 N 2.81 3.63 -0.15 1.61 3.76 -1.26 -5.05 115.29 120.65 2kpo s HIS 105 Ca 0.29 1.63 -0.03 0.00 -0.15 0.00 0.00 55.06 56.81 2kpo s HIS 105 Cb -0.08 -3.24 -0.02 0.00 1.11 0.00 0.00 32.58 30.34 2kpo s HIS 105 CO -0.05 -0.48 -0.07 -1.01 -0.85 0.00 0.00 174.74 172.28 2kpo s HIS 106 N -0.27 2.95 0.00 1.40 3.76 -1.26 -5.00 115.29 116.87 2kpo s HIS 106 Ca 0.49 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 2kpo s HIS 106 Cb -0.29 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.41 2kpo s HIS 106 CO 0.34 -0.12 2.20 -2.39 -0.85 0.00 0.00 174.74 173.92 2kpo n HIS 107 N 3.61 0.00 -1.97 1.40 1.44 -1.26 -4.92 115.22 113.52 2kpo n HIS 107 Ca -0.18 -1.02 -0.41 0.00 -2.01 0.00 0.00 57.72 54.10 2kpo n HIS 107 Cb 0.52 -0.73 -0.02 0.00 0.12 0.00 0.00 29.99 29.88 2kpo n HIS 107 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kpo s HIS 108 N 0.42 2.97 0.13 -1.40 -3.43 -1.26 -4.92 115.29 107.80 2kpo s HIS 108 Ca 0.15 0.99 0.14 0.00 -0.80 0.00 0.00 55.06 55.55 2kpo s HIS 108 Cb 0.07 -3.86 0.36 0.00 -1.43 0.00 0.00 32.58 27.72 2kpo s HIS 108 CO 0.00 -2.81 1.59 0.45 -2.00 0.00 0.00 174.74 171.96 2kpo h HIS 109 N 4.95 0.00 0.00 0.38 3.86 -2.08 -3.56 115.15 118.69 2kpo h HIS 109 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2kpo h HIS 109 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2kpo h HIS 109 CO 0.60 0.55 0.00 1.58 0.86 0.00 0.00 177.93 181.52