#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 4.10 -0.10 -0.89 1.02 -0.94 -5.03 118.68 116.84 2kpo s LEU 2 Ca 0.00 0.64 -0.01 0.00 0.02 0.00 0.00 54.13 54.79 2kpo s LEU 2 Cb 0.00 -2.95 0.03 0.00 0.02 0.00 0.00 46.19 43.29 2kpo s LEU 2 CO 0.00 -0.50 -0.05 -0.76 0.02 0.00 0.00 176.35 175.06 2kpo s LEU 3 N 2.72 1.02 0.17 1.79 1.43 -1.26 -0.70 118.68 123.85 2kpo s LEU 3 Ca 0.29 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 2kpo s LEU 3 Cb -0.15 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2kpo s LEU 3 CO 0.11 -0.14 -0.14 -0.31 0.23 0.00 0.00 176.35 176.09 2kpo s TYR 4 N 1.79 1.60 -0.09 0.29 1.51 -0.49 -4.06 117.35 117.89 2kpo s TYR 4 Ca 0.05 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2kpo s TYR 4 Cb -0.13 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 2kpo s TYR 4 CO -0.07 0.27 -0.10 0.08 -1.11 0.00 0.00 175.55 174.61 2kpo s VAL 5 N -2.70 1.12 -0.24 0.71 1.01 -0.80 -0.21 120.40 119.28 2kpo s VAL 5 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2kpo s VAL 5 Cb -0.02 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2kpo s VAL 5 CO 0.05 0.37 0.04 -0.76 0.00 0.00 0.00 175.10 174.79 2kpo s LEU 6 N 1.17 3.28 -0.11 3.92 1.43 0.93 -0.48 118.68 128.82 2kpo s LEU 6 Ca -0.05 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2kpo s LEU 6 Cb -0.14 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2kpo s LEU 6 CO -0.02 -0.03 -0.10 -0.51 0.23 0.00 0.00 176.35 175.91 2kpo s ILE 7 N 1.57 3.36 -0.26 -0.59 2.07 -0.64 -0.79 121.20 125.92 2kpo s ILE 7 Ca 0.06 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 2kpo s ILE 7 Cb -0.15 -2.40 0.06 0.00 0.13 0.00 0.00 42.46 40.10 2kpo s ILE 7 CO 0.02 0.54 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.88 2kpo s ILE 8 N -0.01 1.96 0.30 2.00 1.01 0.12 -1.19 121.20 125.39 2kpo s ILE 8 Ca -0.02 -1.56 -0.20 0.00 0.00 0.00 0.00 60.65 58.87 2kpo s ILE 8 Cb -0.14 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.20 2kpo s ILE 8 CO 0.04 -0.11 0.72 -0.55 0.00 0.00 0.00 174.94 175.04 2kpo s SER 9 N 1.18 -0.20 -0.13 3.58 0.15 -1.26 -3.40 113.70 113.63 2kpo s SER 9 Ca -0.06 -0.72 0.04 0.00 0.70 0.00 0.00 55.95 55.91 2kpo s SER 9 Cb -0.20 0.75 -0.11 0.00 -1.71 0.00 0.00 66.02 64.75 2kpo s SER 9 CO -0.06 -1.40 -0.06 0.59 1.20 0.00 0.00 173.24 173.51 2kpo n ASN 10 N -0.63 2.69 -4.66 5.45 4.13 -1.26 -4.97 115.26 116.01 2kpo n ASN 10 Ca -0.05 -0.05 -0.40 0.00 1.68 0.00 0.00 54.58 55.76 2kpo n ASN 10 Cb 0.59 0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.94 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 -4.96 6.76 0.12 6.41 1.01 -1.26 -4.93 116.67 119.83 2kpo s ASP 11 Ca -0.14 0.93 0.14 0.00 0.71 0.00 0.00 52.55 54.20 2kpo s ASP 11 Cb 0.04 -2.38 0.64 0.00 1.01 0.00 0.00 42.92 42.23 2kpo s ASP 11 CO 0.37 -0.32 1.43 0.29 0.21 0.00 0.00 175.17 177.15 2kpo n LYS 12 N 5.15 0.07 -0.02 8.23 4.76 -1.26 -2.13 118.16 132.96 2kpo n LYS 12 Ca 0.01 0.43 -0.12 0.00 -2.87 0.00 0.00 58.31 55.76 2kpo n LYS 12 Cb 0.49 -1.67 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 2kpo n LYS 12 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kpo h LYS 13 N 0.00 0.14 -0.25 1.97 6.56 -1.99 0.61 116.57 123.61 2kpo h LYS 13 Ca 0.00 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 2kpo h LYS 13 Cb 0.16 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2kpo h LYS 13 CO 0.00 0.44 0.03 1.25 -2.06 0.00 0.00 179.45 179.11 2kpo h LEU 14 N -0.17 0.41 0.09 2.94 6.46 -1.82 -2.81 115.31 120.42 2kpo h LEU 14 Ca 0.02 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2kpo h LEU 14 Cb 0.38 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2kpo h LEU 14 CO 0.01 0.58 -0.05 0.40 -0.62 0.00 0.00 178.44 178.76 2kpo h ILE 15 N 0.23 1.02 -0.43 4.05 2.04 -1.48 -2.20 117.51 120.74 2kpo h ILE 15 Ca 0.08 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 2kpo h ILE 15 Cb 0.35 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2kpo h ILE 15 CO 0.01 0.10 -0.15 -0.33 0.00 0.00 0.00 178.15 177.78 2kpo h GLU 16 N -0.32 0.80 -0.28 2.37 5.08 -0.94 0.15 114.58 121.44 2kpo h GLU 16 Ca -0.01 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2kpo h GLU 16 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2kpo h GLU 16 CO 0.02 0.90 -0.17 0.93 -1.00 0.00 0.00 179.01 179.69 2kpo h GLU 17 N 0.72 0.50 -0.45 2.33 5.08 -1.53 -1.15 114.58 120.08 2kpo h GLU 17 Ca 0.11 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2kpo h GLU 17 Cb 0.65 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2kpo h GLU 17 CO 0.05 0.66 0.18 0.00 -1.00 0.00 0.00 179.01 178.89 2kpo h ALA 18 N 1.37 0.58 -0.57 3.43 0.00 -0.78 -2.44 119.26 120.85 2kpo h ALA 18 Ca 0.08 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2kpo h ALA 18 Cb 0.56 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2kpo h ALA 18 CO 0.04 0.19 0.27 0.00 0.00 0.00 0.00 179.25 179.75 2kpo h ARG 19 N 0.58 0.50 -0.58 0.00 3.08 -0.63 0.29 114.38 117.62 2kpo h ARG 19 Ca 0.15 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.24 2kpo h ARG 19 Cb 0.19 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 2kpo h ARG 19 CO -0.01 0.33 0.26 0.87 -1.07 0.00 0.00 179.97 180.34 2kpo h LYS 20 N 0.52 0.46 -0.32 0.04 1.57 -1.02 -1.06 116.57 116.76 2kpo h LYS 20 Ca 0.26 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 2kpo h LYS 20 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2kpo h LYS 20 CO -0.20 0.30 -0.24 0.52 -0.57 0.00 0.00 179.45 179.26 2kpo h MET 21 N 0.47 0.63 -0.42 3.15 2.86 -0.98 -2.70 114.93 117.94 2kpo h MET 21 Ca 0.28 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2kpo h MET 21 Cb 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2kpo h MET 21 CO -0.24 0.81 0.28 0.00 1.06 0.00 0.00 176.91 178.82 2kpo h ALA 22 N 1.19 1.74 -0.32 6.32 0.00 0.07 0.71 119.26 128.96 2kpo h ALA 22 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2kpo h ALA 22 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kpo h ALA 22 CO 0.05 0.23 -0.22 0.93 0.00 0.00 0.00 179.25 180.24 2kpo h GLU 23 N 0.53 0.71 -0.53 0.00 4.39 -0.96 0.35 114.58 119.07 2kpo h GLU 23 Ca 0.16 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2kpo h GLU 23 Cb -0.01 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2kpo h GLU 23 CO -0.04 0.95 0.34 0.87 -1.16 0.00 0.00 179.01 179.97 2kpo h LYS 24 N 0.47 0.71 0.00 2.33 6.56 -1.07 -2.29 116.57 123.29 2kpo h LYS 24 Ca 0.06 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2kpo h LYS 24 Cb 0.77 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2kpo h LYS 24 CO 0.06 0.49 0.00 0.00 -2.06 0.00 0.00 179.45 177.94 2kpo n ALA 25 N -2.26 2.25 -1.90 3.86 0.00 0.17 -4.91 120.51 117.72 2kpo n ALA 25 Ca 0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 2kpo n ALA 25 Cb 0.04 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.63 -5.37 -4.86 0.00 5.03 0.10 -4.98 115.26 103.54 2kpo n ASN 26 Ca 0.06 0.26 -0.37 0.00 0.87 0.00 0.00 54.58 55.40 2kpo n ASN 26 Cb 0.34 -4.49 -0.06 0.00 -1.02 0.00 0.00 39.78 34.55 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 -4.82 4.42 -0.39 3.41 1.43 0.08 -4.99 118.68 117.82 2kpo s LEU 27 Ca 0.00 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 53.51 2kpo s LEU 27 Cb 0.00 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2kpo s LEU 27 CO 0.00 0.34 1.40 -1.61 0.23 0.00 0.00 176.35 176.72 2kpo s GLU 28 N -1.19 3.62 -0.24 1.70 2.02 -1.26 -4.57 118.70 118.78 2kpo s GLU 28 Ca 0.21 1.00 -0.12 0.00 0.02 0.00 0.00 54.97 56.08 2kpo s GLU 28 Cb -0.14 -4.01 -0.05 0.00 0.10 0.00 0.00 34.13 30.04 2kpo s GLU 28 CO 0.10 -1.50 0.25 -1.17 0.02 0.00 0.00 175.26 172.96 2kpo s LEU 29 N 5.29 4.09 -0.07 1.80 0.20 -1.26 -1.91 118.68 126.83 2kpo s LEU 29 Ca 0.61 0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.64 2kpo s LEU 29 Cb -0.14 -2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 43.35 2kpo s LEU 29 CO 0.31 -0.02 -0.10 -0.13 -0.29 0.00 0.00 176.35 176.12 2kpo s ARG 30 N 1.40 2.72 -0.22 1.98 1.81 0.37 -4.99 118.95 122.02 2kpo s ARG 30 Ca 0.11 -0.60 -0.14 0.00 -1.72 0.00 0.00 55.73 53.38 2kpo s ARG 30 Cb -0.15 -2.53 -0.04 0.00 -0.45 0.00 0.00 34.95 31.78 2kpo s ARG 30 CO 0.07 0.62 0.32 0.95 -0.68 0.00 0.00 175.30 176.58 2kpo s THR 31 N -0.70 5.25 -0.14 0.02 -4.23 -1.26 -1.62 115.64 112.95 2kpo s THR 31 Ca 0.11 0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 61.06 2kpo s THR 31 Cb -0.11 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 2kpo s THR 31 CO 0.01 0.27 0.11 -0.69 -0.54 0.00 0.00 174.62 173.79 2kpo s VAL 32 N 1.29 5.26 -0.22 2.29 1.01 -0.33 -4.95 120.40 124.75 2kpo s VAL 32 Ca 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2kpo s VAL 32 Cb -0.14 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 2kpo s VAL 32 CO 0.07 0.56 -0.21 0.29 0.00 0.00 0.00 175.10 175.80 2kpo n LYS 33 N 2.56 0.53 -4.28 2.72 5.02 -1.26 -4.53 118.16 118.91 2kpo n LYS 33 Ca -0.18 0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 2kpo n LYS 33 Cb 0.54 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.43 0.71 0.58 -0.18 -4.23 -1.26 -5.00 115.64 103.83 2kpo s THR 34 Ca -0.30 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.48 2kpo s THR 34 Cb 0.08 -2.33 0.35 0.00 1.34 0.00 0.00 72.50 71.94 2kpo s THR 34 CO 0.48 -0.29 2.15 -0.08 -0.54 0.00 0.00 174.62 176.34 2kpo h GLU 35 N 2.55 0.00 -0.05 3.99 4.22 -2.00 -0.63 114.58 122.66 2kpo h GLU 35 Ca -0.37 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 58.85 2kpo h GLU 35 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2kpo h GLU 35 CO 0.62 0.00 -0.80 0.22 -2.18 0.00 0.00 179.01 176.87 2kpo h ASP 36 N 0.00 0.80 -0.38 1.04 3.58 -2.00 -3.04 116.42 116.43 2kpo h ASP 36 Ca 0.06 -0.70 0.02 0.00 0.42 0.00 0.00 57.03 56.83 2kpo h ASP 36 Cb 0.32 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2kpo h ASP 36 CO -0.00 1.39 0.21 -0.33 -2.88 0.00 0.00 179.24 177.63 2kpo h GLU 37 N 0.28 0.42 -0.53 0.28 4.39 -1.60 -1.08 114.58 116.75 2kpo h GLU 37 Ca -0.09 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.70 2kpo h GLU 37 Cb 1.46 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.92 2kpo h GLU 37 CO 0.16 0.28 -0.08 1.25 -1.16 0.00 0.00 179.01 179.46 2kpo h LEU 38 N 0.43 -0.39 0.06 1.33 7.12 -1.23 -0.57 115.31 122.08 2kpo h LEU 38 Ca 0.15 0.15 0.02 0.00 0.13 0.00 0.00 57.88 58.33 2kpo h LEU 38 Cb 0.02 0.29 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 2kpo h LEU 38 CO -0.08 -0.14 -0.26 0.50 -0.13 0.00 0.00 178.44 178.33 2kpo h LYS 39 N 0.04 -0.42 -0.95 1.25 3.64 -1.34 -2.07 116.57 116.72 2kpo h LYS 39 Ca 0.26 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.81 2kpo h LYS 39 Cb 0.40 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 2kpo h LYS 39 CO -0.51 -0.28 0.57 -0.22 -2.27 0.00 0.00 179.45 176.74 2kpo h LYS 40 N -0.44 0.81 -0.52 1.90 3.64 -0.01 0.72 116.57 122.67 2kpo h LYS 40 Ca 0.05 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2kpo h LYS 40 Cb 0.49 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2kpo h LYS 40 CO -0.19 0.54 -0.12 1.88 -2.27 0.00 0.00 179.45 179.29 2kpo h TYR 41 N 0.83 1.11 -0.72 1.91 0.05 -0.97 -2.85 116.97 116.34 2kpo h TYR 41 Ca 0.50 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 59.01 2kpo h TYR 41 Cb 0.61 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 2kpo h TYR 41 CO -0.03 1.04 0.28 -0.07 -1.05 0.00 0.00 178.16 178.33 2kpo h LEU 42 N 0.88 0.98 -1.87 3.88 3.38 -0.33 -1.94 115.31 120.29 2kpo h LEU 42 Ca 0.14 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2kpo h LEU 42 Cb 0.68 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2kpo h LEU 42 CO 0.05 0.88 0.18 -0.33 0.09 0.00 0.00 178.44 179.30 2kpo h GLU 43 N 1.04 0.16 -0.09 1.13 5.08 -0.75 0.88 114.58 122.03 2kpo h GLU 43 Ca 0.24 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2kpo h GLU 43 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kpo h GLU 43 CO -0.02 0.11 -0.57 1.49 -1.00 0.00 0.00 179.01 179.02 2kpo h GLU 44 N 0.17 0.28 0.05 2.33 4.57 -1.15 -3.33 114.58 117.50 2kpo h GLU 44 Ca 0.11 -0.18 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 2kpo h GLU 44 Cb 0.24 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2kpo h GLU 44 CO -0.02 0.77 -1.24 0.74 -1.18 0.00 0.00 179.01 178.09 2kpo h PHE 45 N 0.21 0.18 -0.21 0.92 0.05 -0.43 -3.33 116.94 114.34 2kpo h PHE 45 Ca -0.00 -0.13 0.06 0.00 3.82 0.00 0.00 57.97 61.72 2kpo h PHE 45 Cb 1.06 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 39.00 2kpo h PHE 45 CO 0.02 1.12 0.29 0.00 -0.18 0.00 0.00 178.31 179.57 2kpo h ARG 46 N 0.03 0.00 -1.05 1.51 3.08 -1.17 -1.81 114.38 114.97 2kpo h ARG 46 Ca -0.11 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.22 2kpo h ARG 46 Cb 1.89 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.87 2kpo h ARG 46 CO 0.14 0.00 0.71 0.87 -1.07 0.00 0.00 179.97 180.63 2kpo h LYS 47 N 0.00 0.20 -0.35 0.04 1.57 -1.77 -1.99 116.57 114.28 2kpo h LYS 47 Ca 0.10 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.60 2kpo h LYS 47 Cb 0.68 -0.04 -0.29 0.00 0.08 0.00 0.00 32.23 32.65 2kpo h LYS 47 CO -0.00 0.13 -0.82 0.39 -0.57 0.00 0.00 179.45 178.58 2kpo n GLU 48 N -4.42 2.09 0.19 3.15 -0.58 -0.68 -4.84 120.64 115.54 2kpo n GLU 48 Ca 0.24 -3.45 0.07 0.00 -0.42 0.00 0.00 57.16 53.60 2kpo n GLU 48 Cb 0.99 -1.59 0.39 0.00 -0.57 0.00 0.00 31.44 30.66 2kpo n GLU 48 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2kpo h SER 49 N 1.73 0.00 0.23 1.62 0.02 -1.41 -1.58 113.55 114.17 2kpo h SER 49 Ca 0.07 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2kpo h SER 49 Cb 1.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 2kpo h SER 49 CO 0.32 0.00 -0.32 1.56 -1.14 0.00 0.00 176.83 177.25 2kpo h GLN 50 N 0.00 -0.59 0.00 3.45 4.20 -1.88 -3.37 115.11 116.92 2kpo h GLN 50 Ca 0.00 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2kpo h GLN 50 Cb 0.69 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.48 2kpo h GLN 50 CO 0.00 -0.40 -0.59 0.09 -0.67 0.00 0.00 178.83 177.27 2kpo n ASN 51 N -5.43 1.25 -4.73 1.46 3.02 -0.64 -5.06 115.26 105.13 2kpo n ASN 51 Ca -0.08 -2.75 -0.35 0.00 -0.03 0.00 0.00 54.58 51.36 2kpo n ASN 51 Cb 0.33 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.46 4.81 -0.05 2.41 2.07 -0.93 -2.21 121.20 125.84 2kpo s ILE 52 Ca 0.28 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.49 2kpo s ILE 52 Cb 0.28 -3.09 0.01 0.00 0.13 0.00 0.00 42.46 39.80 2kpo s ILE 52 CO -0.07 0.57 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.88 2kpo s LYS 53 N -0.59 1.46 -0.16 3.50 1.02 0.12 -4.27 119.74 120.82 2kpo s LYS 53 Ca 0.11 -0.36 0.01 0.00 0.02 0.00 0.00 55.97 55.75 2kpo s LYS 53 Cb -0.12 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 2kpo s LYS 53 CO 0.02 0.03 -0.18 0.08 -0.92 0.00 0.00 175.35 174.39 2kpo s VAL 54 N 0.60 2.43 -0.29 3.17 1.01 -0.86 -1.40 120.40 125.07 2kpo s VAL 54 Ca -0.12 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2kpo s VAL 54 Cb -0.14 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2kpo s VAL 54 CO 0.03 0.52 0.61 -0.22 0.00 0.00 0.00 175.10 176.04 2kpo s LEU 55 N 0.90 4.12 -0.25 3.92 2.96 0.71 -0.15 118.68 130.88 2kpo s LEU 55 Ca -0.04 0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 2kpo s LEU 55 Cb -0.15 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.76 2kpo s LEU 55 CO -0.02 -0.43 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.94 2kpo s ILE 56 N 2.53 3.40 -0.31 6.68 1.01 0.23 -0.05 121.20 134.69 2kpo s ILE 56 Ca 0.25 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 2kpo s ILE 56 Cb -0.15 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2kpo s ILE 56 CO 0.11 0.25 0.18 -0.76 0.00 0.00 0.00 174.94 174.71 2kpo s LEU 57 N 1.44 4.18 0.18 2.97 2.01 0.03 -0.54 118.68 128.95 2kpo s LEU 57 Ca 0.03 -0.43 0.09 0.00 0.01 0.00 0.00 54.13 53.83 2kpo s LEU 57 Cb -0.16 -2.05 -0.04 0.00 0.01 0.00 0.00 46.19 43.95 2kpo s LEU 57 CO -0.02 -0.18 -0.10 0.68 1.01 0.00 0.00 176.35 177.73 2kpo s VAL 58 N 1.66 3.15 -0.12 -1.59 -7.23 -0.61 -0.70 120.40 114.96 2kpo s VAL 58 Ca 0.05 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 2kpo s VAL 58 Cb -0.17 -2.56 -0.26 0.00 0.56 0.00 0.00 36.38 33.95 2kpo s VAL 58 CO 0.08 -0.10 0.67 0.77 -0.31 0.00 0.00 175.10 176.20 2kpo h SER 59 N 2.95 0.19 -1.78 4.85 4.64 -1.72 0.18 113.55 122.85 2kpo h SER 59 Ca -0.47 -0.88 -0.59 0.00 -0.47 0.00 0.00 61.79 59.38 2kpo h SER 59 Cb 1.20 -0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 2kpo h SER 59 CO 0.54 1.29 -0.59 0.20 -0.87 0.00 0.00 176.83 177.40 2kpo s ASN 60 N -6.66 4.13 0.47 4.97 0.01 -1.26 -4.57 114.94 112.02 2kpo s ASN 60 Ca -0.19 -1.12 0.25 0.00 -0.71 0.00 0.00 52.86 51.09 2kpo s ASN 60 Cb 0.01 -0.47 1.10 0.00 0.41 0.00 0.00 41.25 42.30 2kpo s ASN 60 CO 0.72 -0.36 1.91 -2.24 -1.51 0.00 0.00 177.10 175.62 2kpo h ASP 61 N 1.73 0.00 0.27 -1.22 2.03 -1.98 -2.49 116.42 114.74 2kpo h ASP 61 Ca -0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.86 2kpo h ASP 61 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2kpo h ASP 61 CO 0.71 0.20 -0.13 -0.08 -1.03 0.00 0.00 179.24 178.91 2kpo h GLU 62 N 0.00 -0.34 -0.13 4.15 4.57 -1.99 0.45 114.58 121.28 2kpo h GLU 62 Ca -0.00 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2kpo h GLU 62 Cb 0.61 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2kpo h GLU 62 CO 0.03 -0.23 -0.29 1.05 -1.18 0.00 0.00 179.01 178.39 2kpo h GLU 63 N -0.36 0.25 -0.34 1.92 9.09 -1.97 -2.25 114.58 120.91 2kpo h GLU 63 Ca -0.04 -0.09 0.06 0.00 0.05 0.00 0.00 59.36 59.34 2kpo h GLU 63 Cb 0.28 -0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 27.31 2kpo h GLU 63 CO 0.06 0.52 0.02 1.25 0.05 0.00 0.00 179.01 180.91 2kpo h LEU 64 N 0.22 -0.09 0.65 3.06 5.85 -1.12 0.13 115.31 124.01 2kpo h LEU 64 Ca 0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2kpo h LEU 64 Cb 0.64 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2kpo h LEU 64 CO 0.05 -0.01 -0.33 -0.78 -0.34 0.00 0.00 178.44 177.02 2kpo h ASP 65 N 0.12 -0.80 -0.28 1.25 1.82 -0.54 -2.87 116.42 115.11 2kpo h ASP 65 Ca 0.17 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 2kpo h ASP 65 Cb 0.22 0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 2kpo h ASP 65 CO -0.26 -0.55 0.08 0.11 -1.61 0.00 0.00 179.24 177.01 2kpo h LYS 66 N -0.90 0.53 0.34 0.28 1.79 -1.33 -1.06 116.57 116.22 2kpo h LYS 66 Ca -0.09 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 2kpo h LYS 66 Cb 0.70 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2kpo h LYS 66 CO 0.13 0.49 -0.20 0.00 -1.08 0.00 0.00 179.45 178.78 2kpo h ALA 67 N 1.58 -0.52 -0.11 3.86 0.00 -0.64 0.47 119.26 123.91 2kpo h ALA 67 Ca 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2kpo h ALA 67 Cb 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kpo h ALA 67 CO -0.00 -0.80 -0.40 1.57 0.00 0.00 0.00 179.25 179.62 2kpo h LYS 68 N -0.52 0.25 0.26 0.00 2.10 -1.41 -2.53 116.57 114.71 2kpo h LYS 68 Ca -0.04 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.48 2kpo h LYS 68 Cb 0.43 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2kpo h LYS 68 CO 0.04 0.62 -0.12 1.49 -2.00 0.00 0.00 179.45 179.48 2kpo h GLU 69 N 0.21 -0.33 -0.66 0.07 4.22 -0.88 -1.13 114.58 116.07 2kpo h GLU 69 Ca 0.02 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 2kpo h GLU 69 Cb 0.81 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2kpo h GLU 69 CO 0.06 -0.18 0.31 -0.07 -2.18 0.00 0.00 179.01 176.95 2kpo h LEU 70 N -0.39 0.87 -1.09 1.64 3.38 -0.92 -1.43 115.31 117.36 2kpo h LEU 70 Ca -0.04 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2kpo h LEU 70 Cb 0.30 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2kpo h LEU 70 CO 0.06 0.76 0.62 0.00 0.09 0.00 0.00 178.44 179.97 2kpo h ALA 71 N 1.14 1.41 -0.15 1.53 0.00 -1.33 -1.56 119.26 120.31 2kpo h ALA 71 Ca 0.22 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2kpo h ALA 71 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2kpo h ALA 71 CO -0.03 0.48 -0.52 1.96 0.00 0.00 0.00 179.25 181.15 2kpo h GLN 72 N 1.16 0.41 -0.43 0.00 4.20 -0.89 0.33 115.11 119.90 2kpo h GLN 72 Ca 0.38 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2kpo h GLN 72 Cb 0.05 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2kpo h GLN 72 CO -0.12 0.83 0.18 0.87 -0.67 0.00 0.00 178.83 179.92 2kpo h LYS 73 N 0.32 0.60 -0.12 1.46 1.57 -0.29 -3.11 116.57 116.99 2kpo h LYS 73 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kpo h LYS 73 Cb 1.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2kpo h LYS 73 CO 0.09 0.49 0.00 -1.33 -0.57 0.00 0.00 179.45 178.12 2kpo n MET 74 N -4.38 2.61 -3.26 3.15 2.81 -0.86 -5.05 117.12 112.14 2kpo n MET 74 Ca 0.03 -2.04 -0.19 0.00 -1.81 0.00 0.00 57.70 53.69 2kpo n MET 74 Cb 0.14 -1.28 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.44 -1.90 -4.38 0.03 1.02 -0.04 -4.99 120.64 109.95 2kpo n GLU 75 Ca 0.09 1.56 -0.22 0.00 -0.02 0.00 0.00 57.16 58.57 2kpo n GLU 75 Cb 0.46 -4.01 -0.16 0.00 -0.02 0.00 0.00 31.44 27.71 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 -2.41 0.81 -0.70 -3.67 1.01 -0.34 -4.94 121.20 110.97 2kpo s ILE 76 Ca 0.20 -0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 2kpo s ILE 76 Cb -0.04 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2kpo s ILE 76 CO 0.82 0.27 1.43 -0.62 0.00 0.00 0.00 174.94 176.84 2kpo s ASP 77 N 0.60 5.95 0.20 3.58 2.15 -1.26 -4.70 116.67 123.19 2kpo s ASP 77 Ca -0.10 -0.21 0.11 0.00 0.43 0.00 0.00 52.55 52.77 2kpo s ASP 77 Cb -0.13 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2kpo s ASP 77 CO 0.01 -1.96 -0.18 0.68 -0.17 0.00 0.00 175.17 173.56 2kpo s VAL 78 N 6.55 2.69 -0.50 1.11 -7.23 -1.26 -2.03 120.40 119.73 2kpo s VAL 78 Ca 0.44 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2kpo s VAL 78 Cb -0.09 -2.33 0.13 0.00 0.56 0.00 0.00 36.38 34.65 2kpo s VAL 78 CO 0.17 -0.16 0.29 -0.13 -0.31 0.00 0.00 175.10 174.96 2kpo s ARG 79 N -2.88 2.19 -0.27 4.82 3.00 0.79 -4.92 118.95 121.69 2kpo s ARG 79 Ca 0.24 -2.19 -0.16 0.00 0.00 0.00 0.00 55.73 53.63 2kpo s ARG 79 Cb -0.08 -3.59 -0.04 0.00 0.00 0.00 0.00 34.95 31.25 2kpo s ARG 79 CO 0.13 -1.11 0.40 0.99 0.00 0.00 0.00 175.30 175.71 2kpo s THR 80 N 0.50 5.15 -0.05 0.02 2.01 -1.26 -0.60 115.64 121.42 2kpo s THR 80 Ca 0.13 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2kpo s THR 80 Cb -0.22 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2kpo s THR 80 CO -0.04 0.14 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.77 2kpo s ARG 81 N 2.11 1.57 -0.34 4.92 1.81 0.30 -4.96 118.95 124.37 2kpo s ARG 81 Ca 0.16 -0.48 -0.24 0.00 -1.72 0.00 0.00 55.73 53.45 2kpo s ARG 81 Cb -0.16 -1.36 0.01 0.00 -0.45 0.00 0.00 34.95 32.99 2kpo s ARG 81 CO 0.10 0.14 0.84 0.21 -0.68 0.00 0.00 175.30 175.91 2kpo s LYS 82 N 0.27 3.89 -0.01 3.54 2.20 -1.26 -1.57 119.74 126.80 2kpo s LYS 82 Ca -0.07 0.55 0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2kpo s LYS 82 Cb -0.12 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2kpo s LYS 82 CO 0.02 -0.80 -0.07 0.14 -0.36 0.00 0.00 175.35 174.28 2kpo s VAL 83 N 3.16 0.58 -0.03 4.02 -7.23 0.62 -4.93 120.40 116.58 2kpo s VAL 83 Ca 0.34 -0.30 0.10 0.00 -1.81 0.00 0.00 61.98 60.31 2kpo s VAL 83 Cb -0.13 -0.50 -0.14 0.00 0.56 0.00 0.00 36.38 36.16 2kpo s VAL 83 CO 0.15 0.17 0.17 0.35 -0.31 0.00 0.00 175.10 175.63 2kpo n THR 84 N 2.99 0.16 -3.37 5.32 -2.24 -1.26 -4.17 114.28 111.71 2kpo n THR 84 Ca -0.14 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 2kpo n THR 84 Cb 0.57 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 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 -3.40 6.91 0.23 3.42 0.01 -1.26 -5.00 113.70 114.62 2kpo s SER 85 Ca -0.04 1.09 -0.08 0.00 1.31 0.00 0.00 55.95 58.23 2kpo s SER 85 Cb 0.05 -2.31 0.24 0.00 0.21 0.00 0.00 66.02 64.21 2kpo s SER 85 CO 0.40 0.26 1.88 1.55 0.41 0.00 0.00 173.24 177.74 2kpo h PRO 86 N 4.91 1.02 -0.99 12.44 0.13 -1.94 -2.50 132.00 145.08 2kpo h PRO 86 Ca -0.49 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 64.64 2kpo h PRO 86 Cb 1.21 -0.23 -0.07 0.00 0.13 0.00 0.00 31.00 32.04 2kpo h PRO 86 CO 0.64 0.68 0.63 0.22 -0.23 0.00 0.00 178.00 179.94 2kpo h ASP 87 N 1.05 1.01 0.37 1.44 3.58 -1.95 -1.49 116.42 120.44 2kpo h ASP 87 Ca 0.33 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 2kpo h ASP 87 Cb -0.02 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.83 2kpo h ASP 87 CO -0.11 0.64 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.39 2kpo h GLU 88 N 1.15 -0.48 -0.42 0.28 4.39 -1.87 0.55 114.58 118.18 2kpo h GLU 88 Ca 0.43 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.24 2kpo h GLU 88 Cb 0.17 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 2kpo h GLU 88 CO -0.18 -0.32 -0.07 0.00 -1.16 0.00 0.00 179.01 177.28 2kpo h ALA 89 N 0.14 0.31 -0.64 3.43 0.00 -1.23 0.21 119.26 121.48 2kpo h ALA 89 Ca -0.05 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2kpo h ALA 89 Cb 0.38 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2kpo h ALA 89 CO 0.08 -0.44 0.34 0.87 0.00 0.00 0.00 179.25 180.10 2kpo h LYS 90 N 0.03 0.60 0.21 0.00 1.57 -1.19 -1.95 116.57 115.84 2kpo h LYS 90 Ca 0.20 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2kpo h LYS 90 Cb 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2kpo h LYS 90 CO -0.41 0.40 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.68 2kpo h ARG 91 N 0.62 -0.27 -0.17 3.15 2.43 0.45 -2.70 114.38 117.89 2kpo h ARG 91 Ca 0.29 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 2kpo h ARG 91 Cb 0.21 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2kpo h ARG 91 CO -0.20 -0.09 -0.33 -1.49 -1.51 0.00 0.00 179.97 176.35 2kpo h TRP 92 N -0.40 0.39 -0.68 2.20 4.06 -0.53 0.24 115.95 121.23 2kpo h TRP 92 Ca -0.03 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 2kpo h TRP 92 Cb 0.30 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 2kpo h TRP 92 CO -0.03 0.64 0.40 0.82 -3.56 0.00 0.00 178.44 176.71 2kpo h ILE 93 N 0.30 1.20 -0.29 1.49 2.04 -1.38 0.09 117.51 120.96 2kpo h ILE 93 Ca 0.04 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2kpo h ILE 93 Cb 0.73 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2kpo h ILE 93 CO 0.06 0.21 0.04 0.50 0.00 0.00 0.00 178.15 178.96 2kpo h LYS 94 N 0.93 0.48 -0.98 2.37 3.64 -1.02 -2.36 116.57 119.63 2kpo h LYS 94 Ca 0.24 -0.13 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 2kpo h LYS 94 Cb -0.01 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.67 2kpo h LYS 94 CO -0.04 0.59 0.61 0.93 -2.27 0.00 0.00 179.45 179.27 2kpo h GLU 95 N 0.30 0.90 -0.25 1.90 4.39 -0.28 0.26 114.58 121.80 2kpo h GLU 95 Ca 0.09 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2kpo h GLU 95 Cb 0.35 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2kpo h GLU 95 CO 0.01 0.59 -0.18 0.35 -1.16 0.00 0.00 179.01 178.62 2kpo h PHE 96 N 0.93 0.48 -0.07 4.33 3.04 -0.82 0.70 116.94 125.53 2kpo h PHE 96 Ca 0.50 -0.08 -0.19 0.00 3.98 0.00 0.00 57.97 62.18 2kpo h PHE 96 Cb 0.55 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 2kpo h PHE 96 CO -0.01 0.60 -0.76 1.03 -2.02 0.00 0.00 178.31 177.15 2kpo h SER 97 N 0.40 0.52 -0.85 0.41 0.87 -0.44 -1.69 113.55 112.78 2kpo h SER 97 Ca 0.07 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 2kpo h SER 97 Cb 0.55 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2kpo h SER 97 CO 0.04 1.10 0.41 -0.33 -0.53 0.00 0.00 176.83 177.52 2kpo h GLU 98 N 0.29 1.23 -0.90 2.24 4.39 -0.27 -2.32 114.58 119.24 2kpo h GLU 98 Ca -0.04 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.53 2kpo h GLU 98 Cb 1.35 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 2kpo h GLU 98 CO 0.13 0.95 0.57 1.49 -1.16 0.00 0.00 179.01 180.99 2kpo h GLU 99 N 1.22 1.03 0.00 2.33 4.22 -0.68 -3.46 114.58 119.23 2kpo h GLU 99 Ca 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.67 2kpo h GLU 99 Cb 0.13 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kpo h GLU 99 CO -0.04 0.68 0.00 0.41 -2.18 0.00 0.00 179.01 177.89 2kpo n GLY 100 N -1.34 0.13 1.78 1.92 0.00 -0.65 -1.51 105.19 105.52 2kpo n GLY 100 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.27 0.56 3.56 -0.02 0.00 -1.26 -4.88 105.19 102.87 2kpo n GLY 101 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2kpo n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kpo s SER 102 N -2.92 5.22 0.16 1.61 0.01 -0.57 -4.67 113.70 112.54 2kpo s SER 102 Ca 0.00 -0.59 0.26 0.00 1.31 0.00 0.00 55.95 56.93 2kpo s SER 102 Cb 0.00 -2.56 0.72 0.00 0.21 0.00 0.00 66.02 64.39 2kpo s SER 102 CO 0.00 -2.65 1.67 0.18 0.41 0.00 0.00 173.24 172.85 2kpo n LEU 103 N 13.61 0.71 -4.81 2.44 4.77 -1.26 -4.72 117.00 127.75 2kpo n LEU 103 Ca 0.37 0.47 -0.32 0.00 -0.03 0.00 0.00 56.01 56.50 2kpo n LEU 103 Cb 0.48 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2kpo n LEU 103 CO 0.61 -0.13 0.71 -1.61 -1.33 0.00 0.00 177.39 175.65 2kpo s GLU 104 N -3.11 3.10 0.60 3.23 2.02 -1.26 -4.46 118.70 118.82 2kpo s GLU 104 Ca 0.10 1.09 0.00 0.00 0.02 0.00 0.00 54.97 56.18 2kpo s GLU 104 Cb 0.13 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.36 2kpo s GLU 104 CO 0.63 -0.98 0.00 1.58 0.02 0.00 0.00 175.26 176.50 2kpo n HIS 105 N -2.60 0.00 0.00 1.61 -0.00 -1.19 -4.81 115.22 108.23 2kpo n HIS 105 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2kpo n HIS 105 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2kpo n HIS 105 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kpo n HIS 106 N 0.00 0.00 -3.90 1.57 -0.00 -1.26 -2.62 115.22 109.00 2kpo n HIS 106 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 2kpo n HIS 106 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 2kpo n HIS 106 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpo s HIS 107 N 0.00 2.95 -1.21 1.57 5.65 -1.26 -4.81 115.29 118.18 2kpo s HIS 107 Ca 0.00 -2.59 0.00 0.00 0.25 0.00 0.00 55.06 52.72 2kpo s HIS 107 Cb 0.00 -2.47 0.00 0.00 -1.18 0.00 0.00 32.58 28.93 2kpo s HIS 107 CO 0.00 -0.90 0.00 0.72 -0.65 0.00 0.00 174.74 173.91 2kpo n HIS 108 N 4.27 -0.44 -4.37 3.88 8.25 -1.26 -4.92 115.22 120.64 2kpo n HIS 108 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 2kpo n HIS 108 Cb 0.40 -2.37 -0.11 0.00 1.12 0.00 0.00 29.99 29.04 2kpo n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kpo s HIS 109 N -1.96 2.71 -2.47 4.41 5.65 -1.08 -5.13 115.29 117.42 2kpo s HIS 109 Ca 0.00 -0.17 0.28 0.00 0.25 0.00 0.00 55.06 55.43 2kpo s HIS 109 Cb 0.00 -1.46 1.10 0.00 -1.18 0.00 0.00 32.58 31.04 2kpo s HIS 109 CO 0.00 0.38 1.77 0.72 -0.65 0.00 0.00 174.74 176.96