#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 3.90 -0.14 -0.89 1.02 0.44 -4.97 118.68 118.04 2kpo s LEU 2 Ca 0.00 1.50 -0.00 0.00 0.02 0.00 0.00 54.13 55.64 2kpo s LEU 2 Cb 0.00 -3.53 0.03 0.00 0.02 0.00 0.00 46.19 42.71 2kpo s LEU 2 CO 0.00 -1.19 -0.08 -0.76 0.02 0.00 0.00 176.35 174.34 2kpo s LEU 3 N 4.90 1.44 0.27 1.79 1.43 -1.26 -0.73 118.68 126.51 2kpo s LEU 3 Ca 0.66 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 2kpo s LEU 3 Cb -0.22 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2kpo s LEU 3 CO 0.27 -0.13 -0.17 -0.31 0.23 0.00 0.00 176.35 176.24 2kpo s TYR 4 N 1.64 2.14 -0.10 0.29 1.51 -0.76 -3.96 117.35 118.11 2kpo s TYR 4 Ca 0.03 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2kpo s TYR 4 Cb -0.14 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.74 2kpo s TYR 4 CO -0.08 0.59 -0.14 0.08 -1.11 0.00 0.00 175.55 174.89 2kpo s VAL 5 N -2.66 1.38 -0.19 0.71 1.01 -0.14 -0.64 120.40 119.87 2kpo s VAL 5 Ca 0.28 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2kpo s VAL 5 Cb -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 2kpo s VAL 5 CO 0.13 0.42 -0.05 -0.76 0.00 0.00 0.00 175.10 174.84 2kpo s LEU 6 N 0.93 3.01 -0.11 3.92 1.43 0.32 -0.89 118.68 127.30 2kpo s LEU 6 Ca -0.08 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2kpo s LEU 6 Cb -0.15 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2kpo s LEU 6 CO -0.00 0.06 -0.19 -0.51 0.23 0.00 0.00 176.35 175.94 2kpo s ILE 7 N 0.99 2.51 -0.35 -0.59 2.07 -0.90 -0.56 121.20 124.36 2kpo s ILE 7 Ca 0.00 -0.86 -0.00 0.00 -1.41 0.00 0.00 60.65 58.38 2kpo s ILE 7 Cb -0.15 -2.01 0.09 0.00 0.13 0.00 0.00 42.46 40.52 2kpo s ILE 7 CO 0.01 0.54 0.08 -0.63 -1.91 0.00 0.00 174.94 173.03 2kpo s ILE 8 N 0.35 2.87 0.13 2.00 1.01 0.37 -0.57 121.20 127.35 2kpo s ILE 8 Ca -0.15 -1.91 -0.25 0.00 0.00 0.00 0.00 60.65 58.35 2kpo s ILE 8 Cb -0.17 -2.89 0.07 0.00 0.01 0.00 0.00 42.46 39.48 2kpo s ILE 8 CO 0.07 -0.45 0.73 -0.55 0.00 0.00 0.00 174.94 174.74 2kpo s SER 9 N 1.38 -0.44 0.00 3.58 0.15 -1.26 -2.63 113.70 114.48 2kpo s SER 9 Ca 0.04 -0.11 0.17 0.00 0.70 0.00 0.00 55.95 56.75 2kpo s SER 9 Cb -0.21 0.54 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 2kpo s SER 9 CO -0.04 -0.91 0.97 0.59 1.20 0.00 0.00 173.24 175.05 2kpo n ASN 10 N -0.36 2.12 -4.55 5.45 3.02 -1.26 -4.93 115.26 114.76 2kpo n ASN 10 Ca -0.12 -1.56 -0.43 0.00 -0.03 0.00 0.00 54.58 52.44 2kpo n ASN 10 Cb 0.63 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.92 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kpo s ASP 11 N -1.57 6.45 0.09 6.41 1.11 -1.26 -4.94 116.67 122.96 2kpo s ASP 11 Ca 0.17 -0.03 -0.19 0.00 0.18 0.00 0.00 52.55 52.68 2kpo s ASP 11 Cb 0.14 -2.45 -0.08 0.00 1.07 0.00 0.00 42.92 41.59 2kpo s ASP 11 CO 0.28 -1.13 1.60 0.11 1.18 0.00 0.00 175.17 177.21 2kpo h LYS 12 N 9.18 0.35 -0.95 8.23 6.56 -1.99 -0.95 116.57 136.99 2kpo h LYS 12 Ca -0.25 -0.08 0.08 0.00 -1.06 0.00 0.00 60.65 59.35 2kpo h LYS 12 Cb 1.07 -0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 32.62 2kpo h LYS 12 CO 1.05 0.45 0.61 0.87 -2.06 0.00 0.00 179.45 180.38 2kpo h LYS 13 N 0.19 1.01 -0.36 3.15 1.79 -1.99 0.38 116.57 120.74 2kpo h LYS 13 Ca 0.07 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2kpo h LYS 13 Cb 0.24 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2kpo h LYS 13 CO -0.00 0.67 0.10 1.25 -1.08 0.00 0.00 179.45 180.38 2kpo h LEU 14 N 1.04 0.55 -0.34 2.94 6.46 -1.86 -0.47 115.31 123.62 2kpo h LEU 14 Ca 0.43 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2kpo h LEU 14 Cb 0.29 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2kpo h LEU 14 CO -0.18 0.63 0.16 0.40 -0.62 0.00 0.00 178.44 178.82 2kpo h ILE 15 N 0.44 1.17 -0.30 4.05 2.04 -0.46 -1.27 117.51 123.19 2kpo h ILE 15 Ca 0.12 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2kpo h ILE 15 Cb 0.29 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2kpo h ILE 15 CO -0.00 0.18 -0.06 -0.33 0.00 0.00 0.00 178.15 177.94 2kpo h GLU 16 N 0.41 0.56 -0.99 2.37 5.08 -0.89 0.52 114.58 121.64 2kpo h GLU 16 Ca 0.12 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2kpo h GLU 16 Cb 0.14 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2kpo h GLU 16 CO -0.01 0.74 0.63 0.93 -1.00 0.00 0.00 179.01 180.30 2kpo h GLU 17 N 0.33 1.07 -0.45 2.33 4.39 -1.06 -0.53 114.58 120.66 2kpo h GLU 17 Ca 0.08 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2kpo h GLU 17 Cb 0.53 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2kpo h GLU 17 CO 0.03 0.71 0.10 0.00 -1.16 0.00 0.00 179.01 178.69 2kpo h ALA 18 N 1.48 0.59 -0.38 3.43 0.00 -0.89 -2.38 119.26 121.10 2kpo h ALA 18 Ca 0.45 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2kpo h ALA 18 Cb 0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2kpo h ALA 18 CO -0.20 0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.44 2kpo h ARG 19 N 0.59 0.25 -0.94 0.00 3.08 -0.22 0.86 114.38 118.01 2kpo h ARG 19 Ca 0.14 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.23 2kpo h ARG 19 Cb 0.33 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 2kpo h ARG 19 CO 0.00 0.17 0.61 0.87 -1.07 0.00 0.00 179.97 180.55 2kpo h LYS 20 N 0.26 1.09 -0.07 0.04 1.57 -1.00 -1.73 116.57 116.73 2kpo h LYS 20 Ca 0.18 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.68 2kpo h LYS 20 Cb 0.18 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2kpo h LYS 20 CO -0.20 0.72 -0.83 0.52 -0.57 0.00 0.00 179.45 179.09 2kpo h MET 21 N 1.12 0.56 -0.78 3.15 2.86 -0.91 -2.78 114.93 118.14 2kpo h MET 21 Ca 0.39 -0.50 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2kpo h MET 21 Cb 0.12 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 2kpo h MET 21 CO -0.14 1.13 0.47 0.00 1.06 0.00 0.00 176.91 179.43 2kpo h ALA 22 N 0.72 1.07 -0.62 6.32 0.00 -0.35 0.08 119.26 126.48 2kpo h ALA 22 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kpo h ALA 22 Cb 1.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kpo h ALA 22 CO 0.15 0.19 0.41 0.93 0.00 0.00 0.00 179.25 180.93 2kpo h GLU 23 N 0.86 0.80 -0.98 0.00 4.39 -1.31 0.28 114.58 118.63 2kpo h GLU 23 Ca 0.34 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.03 2kpo h GLU 23 Cb 0.17 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 2kpo h GLU 23 CO -0.17 0.53 0.64 0.87 -1.16 0.00 0.00 179.01 179.72 2kpo h LYS 24 N 0.82 1.21 -0.09 2.33 1.79 -1.04 -2.17 116.57 119.43 2kpo h LYS 24 Ca 0.23 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2kpo h LYS 24 Cb -0.08 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.30 2kpo h LYS 24 CO -0.06 0.80 0.00 0.00 -1.08 0.00 0.00 179.45 179.11 2kpo n ALA 25 N -2.38 2.55 -1.18 3.86 0.00 -0.07 -4.92 120.51 118.37 2kpo n ALA 25 Ca 0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2kpo n ALA 25 Cb 0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2kpo n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kpo n ASN 26 N 0.25 -4.88 -4.90 0.00 2.85 0.68 -4.94 115.26 104.32 2kpo n ASN 26 Ca 0.18 0.15 -0.30 0.00 -0.11 0.00 0.00 54.58 54.49 2kpo n ASN 26 Cb 0.34 -2.91 -0.04 0.00 1.24 0.00 0.00 39.78 38.41 2kpo n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kpo s LEU 27 N -1.37 4.16 -0.19 1.20 1.43 0.53 -4.97 118.68 119.47 2kpo s LEU 27 Ca 0.00 0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 53.67 2kpo s LEU 27 Cb 0.00 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2kpo s LEU 27 CO 0.00 -0.08 0.29 -0.70 0.23 0.00 0.00 176.35 176.09 2kpo s GLU 28 N -3.09 4.19 -0.14 1.70 2.12 -1.25 -4.14 118.70 118.08 2kpo s GLU 28 Ca 0.44 0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.76 2kpo s GLU 28 Cb -0.11 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2kpo s GLU 28 CO 0.26 0.11 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.91 2kpo s LEU 29 N 0.87 3.42 -0.08 2.70 0.20 -1.26 -0.96 118.68 123.57 2kpo s LEU 29 Ca 0.15 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.98 2kpo s LEU 29 Cb -0.14 -1.82 -0.00 0.00 -0.43 0.00 0.00 46.19 43.80 2kpo s LEU 29 CO 0.05 0.22 -0.22 -0.13 -0.29 0.00 0.00 176.35 175.97 2kpo s ARG 30 N 0.07 2.66 -0.30 1.98 1.81 -0.06 -4.99 118.95 120.12 2kpo s ARG 30 Ca 0.01 -0.82 -0.28 0.00 -1.72 0.00 0.00 55.73 52.93 2kpo s ARG 30 Cb -0.13 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.28 2kpo s ARG 30 CO 0.02 0.23 1.02 0.95 -0.68 0.00 0.00 175.30 176.84 2kpo s THR 31 N 0.20 4.59 -0.37 0.02 -4.23 -1.26 -2.12 115.64 112.48 2kpo s THR 31 Ca -0.13 1.71 -0.21 0.00 -1.18 0.00 0.00 61.69 61.88 2kpo s THR 31 Cb -0.16 -4.35 0.01 0.00 1.34 0.00 0.00 72.50 69.34 2kpo s THR 31 CO 0.06 -0.38 0.66 -0.69 -0.54 0.00 0.00 174.62 173.73 2kpo s VAL 32 N 3.44 4.86 -0.06 2.29 1.01 0.26 -4.94 120.40 127.26 2kpo s VAL 32 Ca 0.43 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 2kpo s VAL 32 Cb -0.13 -4.11 -0.30 0.00 0.00 0.00 0.00 36.38 31.84 2kpo s VAL 32 CO 0.13 -0.37 0.62 0.11 0.00 0.00 0.00 175.10 175.59 2kpo h LYS 33 N 8.52 0.37 -4.60 2.72 1.57 -1.93 -3.40 116.57 119.82 2kpo h LYS 33 Ca -0.26 -0.64 -0.26 0.00 -1.87 0.00 0.00 60.65 57.62 2kpo h LYS 33 Cb 1.11 0.24 -0.15 0.00 0.08 0.00 0.00 32.23 33.51 2kpo h LYS 33 CO 0.85 1.31 -0.58 0.95 -0.57 0.00 0.00 179.45 181.41 2kpo s THR 34 N -2.57 0.00 0.27 -0.16 -4.23 -1.26 -5.00 115.64 102.69 2kpo s THR 34 Ca -0.17 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 2kpo s THR 34 Cb 0.06 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.66 2kpo s THR 34 CO 0.84 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 176.65 2kpo h GLU 35 N 2.54 0.81 -0.70 3.99 4.81 -1.99 -0.59 114.58 123.46 2kpo h GLU 35 Ca -0.34 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2kpo h GLU 35 Cb 1.25 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 2kpo h GLU 35 CO 0.50 0.54 0.43 0.22 -0.73 0.00 0.00 179.01 179.97 2kpo h ASP 36 N 0.84 0.70 0.03 1.04 1.82 -1.99 -0.70 116.42 118.16 2kpo h ASP 36 Ca 0.47 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.12 2kpo h ASP 36 Cb 0.52 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 2kpo h ASP 36 CO -0.29 0.48 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.43 2kpo h GLU 37 N 0.83 -0.11 -0.32 0.28 4.39 -1.60 0.21 114.58 118.26 2kpo h GLU 37 Ca 0.28 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.06 2kpo h GLU 37 Cb 0.04 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.64 2kpo h GLU 37 CO -0.12 -0.07 -0.21 1.25 -1.16 0.00 0.00 179.01 178.70 2kpo h LEU 38 N -0.12 -0.70 -0.12 1.33 7.12 -0.74 -0.28 115.31 121.81 2kpo h LEU 38 Ca 0.01 0.14 0.03 0.00 0.13 0.00 0.00 57.88 58.20 2kpo h LEU 38 Cb 0.13 0.36 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2kpo h LEU 38 CO -0.04 -0.25 -0.05 0.50 -0.13 0.00 0.00 178.44 178.48 2kpo h LYS 39 N -0.17 -0.03 -0.52 1.25 3.64 -1.01 -1.91 116.57 117.81 2kpo h LYS 39 Ca 0.17 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 2kpo h LYS 39 Cb 0.43 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2kpo h LYS 39 CO -0.43 -0.02 0.36 -0.22 -2.27 0.00 0.00 179.45 176.87 2kpo h LYS 40 N -0.04 0.22 -0.01 1.90 3.11 0.45 0.13 116.57 122.33 2kpo h LYS 40 Ca 0.07 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 2kpo h LYS 40 Cb 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 2kpo h LYS 40 CO -0.14 0.14 -0.26 1.88 -2.81 0.00 0.00 179.45 178.26 2kpo h TYR 41 N 0.22 0.28 -0.62 1.91 0.05 -0.83 -3.24 116.97 114.74 2kpo h TYR 41 Ca 0.25 -0.14 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2kpo h TYR 41 Cb 0.67 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 2kpo h TYR 41 CO -0.00 0.93 0.36 -0.07 -1.05 0.00 0.00 178.16 178.33 2kpo h LEU 42 N -0.45 0.55 -1.59 3.88 3.38 -0.33 -0.66 115.31 120.09 2kpo h LEU 42 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kpo h LEU 42 Cb 0.99 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2kpo h LEU 42 CO 0.05 0.37 0.08 -0.33 0.09 0.00 0.00 178.44 178.70 2kpo h GLU 43 N 0.68 0.34 -0.12 1.13 5.08 -0.95 0.21 114.58 120.96 2kpo h GLU 43 Ca 0.26 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2kpo h GLU 43 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kpo h GLU 43 CO -0.14 0.30 -0.23 1.49 -1.00 0.00 0.00 179.01 179.44 2kpo h GLU 44 N 0.34 0.37 0.00 2.33 4.57 -1.41 -3.20 114.58 117.58 2kpo h GLU 44 Ca 0.09 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2kpo h GLU 44 Cb 0.10 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2kpo h GLU 44 CO -0.01 0.83 -0.09 0.74 -1.18 0.00 0.00 179.01 179.30 2kpo h PHE 45 N -0.05 0.00 -0.08 0.92 0.05 -0.40 -1.76 116.94 115.62 2kpo h PHE 45 Ca 0.01 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.82 2kpo h PHE 45 Cb 0.81 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.76 2kpo h PHE 45 CO 0.10 0.09 0.11 0.00 -0.18 0.00 0.00 178.31 178.43 2kpo h ARG 46 N 0.00 0.00 -0.25 1.51 3.08 -0.60 0.29 114.38 118.42 2kpo h ARG 46 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2kpo h ARG 46 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2kpo h ARG 46 CO 0.01 0.00 -0.20 0.87 -1.07 0.00 0.00 179.97 179.58 2kpo h LYS 47 N 0.00 0.44 -0.71 0.04 1.57 -1.43 -2.89 116.57 113.59 2kpo h LYS 47 Ca 0.04 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 58.44 2kpo h LYS 47 Cb 0.26 -0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.39 2kpo h LYS 47 CO -0.00 0.63 0.27 0.39 -0.57 0.00 0.00 179.45 180.17 2kpo n GLU 48 N -4.16 3.38 0.00 3.15 -0.58 0.07 -4.73 120.64 117.76 2kpo n GLU 48 Ca -0.00 -3.08 0.00 0.00 -0.42 0.00 0.00 57.16 53.66 2kpo n GLU 48 Cb 0.37 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 2kpo n GLU 48 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2kpo n SER 49 N -0.37 0.51 -0.08 1.62 3.41 -1.05 -3.10 113.62 114.57 2kpo n SER 49 Ca 0.41 -0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 58.01 2kpo n SER 49 Cb 1.37 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 65.00 2kpo n SER 49 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2kpo h GLN 50 N 0.61 0.00 -0.97 4.33 1.08 -1.88 -3.43 115.11 114.86 2kpo h GLN 50 Ca 0.00 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.81 2kpo h GLN 50 Cb 0.24 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.26 2kpo h GLN 50 CO 0.00 0.75 -1.07 0.09 -0.95 0.00 0.00 178.83 177.65 2kpo n ASN 51 N -4.56 2.31 -4.27 1.46 3.02 -1.18 -5.09 115.26 106.95 2kpo n ASN 51 Ca -0.18 -2.84 -0.29 0.00 -0.03 0.00 0.00 54.58 51.25 2kpo n ASN 51 Cb 0.48 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 39.00 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 -3.81 1.85 0.01 2.41 2.07 -1.23 -0.42 121.20 122.08 2kpo s ILE 52 Ca 0.33 -1.04 0.02 0.00 -1.41 0.00 0.00 60.65 58.54 2kpo s ILE 52 Cb 0.42 -1.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.45 2kpo s ILE 52 CO -0.02 0.49 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.91 2kpo s LYS 53 N -0.64 0.40 -0.05 3.50 1.02 0.09 -4.56 119.74 119.50 2kpo s LYS 53 Ca 0.09 -0.34 0.05 0.00 0.02 0.00 0.00 55.97 55.79 2kpo s LYS 53 Cb -0.09 -0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 2kpo s LYS 53 CO -0.01 0.08 -0.22 0.08 -0.92 0.00 0.00 175.35 174.36 2kpo s VAL 54 N -0.51 1.85 -0.27 3.17 1.01 -0.39 -1.83 120.40 123.42 2kpo s VAL 54 Ca -0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 2kpo s VAL 54 Cb -0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2kpo s VAL 54 CO -0.00 0.52 0.27 -0.22 0.00 0.00 0.00 175.10 175.66 2kpo s LEU 55 N -0.08 4.04 -0.27 3.92 2.96 0.18 -0.99 118.68 128.44 2kpo s LEU 55 Ca -0.04 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2kpo s LEU 55 Cb -0.13 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2kpo s LEU 55 CO 0.03 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.37 2kpo s ILE 56 N 1.83 3.65 -0.34 6.68 1.01 0.02 -0.52 121.20 133.53 2kpo s ILE 56 Ca 0.11 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2kpo s ILE 56 Cb -0.16 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 2kpo s ILE 56 CO 0.10 0.16 0.24 -0.76 0.00 0.00 0.00 174.94 174.69 2kpo s LEU 57 N 1.46 4.53 0.13 2.97 2.01 0.27 -0.86 118.68 129.19 2kpo s LEU 57 Ca 0.03 -0.44 0.06 0.00 0.01 0.00 0.00 54.13 53.79 2kpo s LEU 57 Cb -0.17 -2.14 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 2kpo s LEU 57 CO 0.00 -0.24 -0.00 0.68 1.01 0.00 0.00 176.35 177.80 2kpo s VAL 58 N 1.72 3.85 -0.09 -1.59 -7.23 0.19 -0.48 120.40 116.77 2kpo s VAL 58 Ca 0.06 -1.20 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 2kpo s VAL 58 Cb -0.17 -2.88 -0.11 0.00 0.56 0.00 0.00 36.38 33.78 2kpo s VAL 58 CO 0.10 0.01 0.46 0.77 -0.31 0.00 0.00 175.10 176.14 2kpo h SER 59 N 3.10 -0.10 -2.11 4.85 4.64 -1.72 -0.43 113.55 121.77 2kpo h SER 59 Ca -0.48 -0.32 -0.55 0.00 -0.47 0.00 0.00 61.79 59.98 2kpo h SER 59 Cb 1.18 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 2kpo h SER 59 CO 0.58 0.53 -0.60 0.20 -0.87 0.00 0.00 176.83 176.67 2kpo s ASN 60 N -5.62 4.74 0.46 4.97 0.01 -1.26 -4.58 114.94 113.66 2kpo s ASN 60 Ca -0.08 -0.62 0.15 0.00 -0.71 0.00 0.00 52.86 51.59 2kpo s ASN 60 Cb -0.01 -0.90 1.06 0.00 0.41 0.00 0.00 41.25 41.81 2kpo s ASN 60 CO 0.30 -0.09 2.03 0.44 -1.51 0.00 0.00 177.10 178.27 2kpo h ASP 61 N 1.73 0.01 0.21 -1.22 3.32 -1.98 0.22 116.42 118.70 2kpo h ASP 61 Ca -0.45 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 2kpo h ASP 61 Cb 1.25 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kpo h ASP 61 CO 0.61 0.14 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.09 2kpo h GLU 62 N 0.01 -0.27 -0.86 3.56 4.81 -1.99 -0.30 114.58 119.54 2kpo h GLU 62 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2kpo h GLU 62 Cb 0.24 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 2kpo h GLU 62 CO 0.02 -0.14 0.56 0.93 -0.73 0.00 0.00 179.01 179.64 2kpo h GLU 63 N -0.33 0.91 -0.00 1.92 4.39 -1.81 -0.82 114.58 118.83 2kpo h GLU 63 Ca -0.03 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2kpo h GLU 63 Cb 0.26 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2kpo h GLU 63 CO 0.05 0.60 -0.11 1.25 -1.16 0.00 0.00 179.01 179.64 2kpo h LEU 64 N 0.94 -0.31 -0.47 1.33 5.85 -0.61 -1.48 115.31 120.56 2kpo h LEU 64 Ca 0.37 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.08 2kpo h LEU 64 Cb 0.25 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2kpo h LEU 64 CO -0.14 -0.15 0.04 -0.78 -0.34 0.00 0.00 178.44 177.07 2kpo h ASP 65 N -0.18 0.77 -0.69 1.25 -0.00 -0.44 -2.49 116.42 114.65 2kpo h ASP 65 Ca 0.04 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.03 56.78 2kpo h ASP 65 Cb 0.23 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 39.32 2kpo h ASP 65 CO -0.11 0.86 0.40 0.11 -0.00 0.00 0.00 179.24 180.51 2kpo h LYS 66 N 0.66 0.94 0.23 0.28 1.79 -1.09 -0.12 116.57 119.26 2kpo h LYS 66 Ca 0.14 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2kpo h LYS 66 Cb 0.44 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2kpo h LYS 66 CO 0.02 0.68 -0.11 0.00 -1.08 0.00 0.00 179.45 178.96 2kpo h ALA 67 N 1.21 -0.31 -0.23 3.86 0.00 -1.14 -2.62 119.26 120.02 2kpo h ALA 67 Ca 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2kpo h ALA 67 Cb -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kpo h ALA 67 CO -0.04 -0.65 -0.16 1.57 0.00 0.00 0.00 179.25 179.97 2kpo h LYS 68 N -0.36 0.40 0.37 0.00 2.10 -1.34 -2.33 116.57 115.42 2kpo h LYS 68 Ca -0.03 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2kpo h LYS 68 Cb 0.27 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 2kpo h LYS 68 CO 0.05 0.55 -0.38 0.93 -2.00 0.00 0.00 179.45 178.60 2kpo h GLU 69 N 0.37 -0.75 -0.92 0.07 5.08 -0.88 0.67 114.58 118.21 2kpo h GLU 69 Ca 0.07 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2kpo h GLU 69 Cb 0.50 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2kpo h GLU 69 CO 0.03 -0.50 0.58 -0.07 -1.00 0.00 0.00 179.01 178.05 2kpo h LEU 70 N -0.78 0.93 -0.32 1.33 3.38 -1.35 -0.75 115.31 117.73 2kpo h LEU 70 Ca -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2kpo h LEU 70 Cb 0.70 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2kpo h LEU 70 CO -0.07 0.60 0.09 0.00 0.09 0.00 0.00 178.44 179.14 2kpo h ALA 71 N 1.42 0.43 -0.04 1.53 0.00 -1.21 -1.92 119.26 119.47 2kpo h ALA 71 Ca 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2kpo h ALA 71 Cb 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kpo h ALA 71 CO -0.17 0.08 0.01 1.96 0.00 0.00 0.00 179.25 181.14 2kpo h GLN 72 N 0.37 0.06 0.00 0.00 4.20 -0.47 0.33 115.11 119.61 2kpo h GLN 72 Ca 0.10 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2kpo h GLN 72 Cb 0.28 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2kpo h GLN 72 CO -0.00 0.25 -0.25 0.87 -0.67 0.00 0.00 178.83 179.03 2kpo h LYS 73 N -0.13 0.00 -0.03 1.46 1.57 -1.16 -1.63 116.57 116.66 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kpo h LYS 73 CO -0.00 0.25 -0.10 -1.33 -0.57 0.00 0.00 179.45 177.70 2kpo n MET 74 N -3.86 2.05 -2.96 3.15 2.81 -0.72 -5.04 117.12 112.55 2kpo n MET 74 Ca -0.02 -1.71 -0.12 0.00 -1.81 0.00 0.00 57.70 54.05 2kpo n MET 74 Cb 0.34 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.41 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 1.04 -2.27 -4.29 0.03 1.02 0.93 -5.04 120.64 112.06 2kpo n GLU 75 Ca 0.13 1.99 -0.19 0.00 -0.02 0.00 0.00 57.16 59.07 2kpo n GLU 75 Cb 0.56 -5.19 -0.13 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.48 0.95 -0.75 -3.67 1.01 0.18 -5.01 121.20 111.44 2kpo s ILE 76 Ca 0.25 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 2kpo s ILE 76 Cb -0.06 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.58 2kpo s ILE 76 CO 0.78 -0.04 1.18 -1.81 0.00 0.00 0.00 174.94 175.05 2kpo s ASP 77 N -1.10 6.22 0.13 3.58 1.01 -1.26 -4.73 116.67 120.52 2kpo s ASP 77 Ca -0.00 -0.81 0.06 0.00 0.71 0.00 0.00 52.55 52.51 2kpo s ASP 77 Cb -0.08 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2kpo s ASP 77 CO 0.01 -1.63 -0.14 0.68 0.21 0.00 0.00 175.17 174.30 2kpo s VAL 78 N 4.93 1.38 -0.25 -1.27 -7.23 -1.26 -1.27 120.40 115.44 2kpo s VAL 78 Ca 0.31 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 2kpo s VAL 78 Cb -0.10 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.30 2kpo s VAL 78 CO 0.10 -0.43 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.21 2kpo s ARG 79 N -2.76 2.34 -0.35 4.82 0.52 -0.16 -4.96 118.95 118.39 2kpo s ARG 79 Ca 0.10 -1.27 -0.14 0.00 -0.52 0.00 0.00 55.73 53.90 2kpo s ARG 79 Cb -0.04 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 2kpo s ARG 79 CO 0.03 -0.52 0.32 0.95 0.02 0.00 0.00 175.30 176.10 2kpo s THR 80 N 1.13 5.21 -0.01 0.02 -4.23 -1.26 -0.80 115.64 115.71 2kpo s THR 80 Ca -0.07 -0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.37 2kpo s THR 80 Cb -0.19 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.82 2kpo s THR 80 CO -0.06 -0.11 -0.22 -0.13 -0.54 0.00 0.00 174.62 173.56 2kpo s ARG 81 N 1.89 1.76 -0.23 3.99 1.81 -0.04 -5.00 118.95 123.13 2kpo s ARG 81 Ca 0.09 -0.82 -0.14 0.00 -1.72 0.00 0.00 55.73 53.14 2kpo s ARG 81 Cb -0.17 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 2kpo s ARG 81 CO 0.11 0.47 0.31 0.21 -0.68 0.00 0.00 175.30 175.72 2kpo s LYS 82 N -0.62 4.11 -0.04 3.54 2.20 -1.26 -0.64 119.74 127.03 2kpo s LYS 82 Ca 0.09 0.01 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2kpo s LYS 82 Cb -0.09 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2kpo s LYS 82 CO -0.00 -0.04 -0.14 0.14 -0.36 0.00 0.00 175.35 174.94 2kpo s VAL 83 N 1.34 1.19 -0.18 4.02 -7.23 -0.17 -4.92 120.40 114.45 2kpo s VAL 83 Ca 0.14 -0.58 0.08 0.00 -1.81 0.00 0.00 61.98 59.82 2kpo s VAL 83 Cb -0.14 -1.03 0.17 0.00 0.56 0.00 0.00 36.38 35.93 2kpo s VAL 83 CO 0.07 0.35 1.11 0.35 -0.31 0.00 0.00 175.10 176.68 2kpo n THR 84 N 3.23 1.37 -3.74 5.32 -2.24 -1.26 -4.46 114.28 112.50 2kpo n THR 84 Ca -0.18 -1.44 -0.13 0.00 -2.27 0.00 0.00 64.05 60.02 2kpo n THR 84 Cb 0.53 0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.63 -0.33 0.10 3.42 0.01 -1.26 -5.09 113.70 108.92 2kpo s SER 85 Ca 0.16 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 57.66 2kpo s SER 85 Cb 0.13 0.61 -0.11 0.00 0.21 0.00 0.00 66.02 66.86 2kpo s SER 85 CO 0.04 -0.25 1.62 -0.65 0.41 0.00 0.00 173.24 174.41 2kpo h PRO 86 N 4.91 -0.58 -0.36 12.44 0.11 -1.95 -2.67 132.00 143.89 2kpo h PRO 86 Ca -0.28 0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.98 2kpo h PRO 86 Cb 1.18 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2kpo h PRO 86 CO 0.32 -0.39 0.28 -0.44 -0.21 0.00 0.00 178.00 177.56 2kpo h ASP 87 N -0.61 0.00 0.81 -2.05 3.32 -1.98 0.12 116.42 116.03 2kpo h ASP 87 Ca 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2kpo h ASP 87 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.15 2kpo h ASP 87 CO -0.13 0.00 -0.39 -0.33 -1.72 0.00 0.00 179.24 176.67 2kpo h GLU 88 N 0.00 -1.05 -0.92 3.56 4.39 -1.91 -0.79 114.58 117.86 2kpo h GLU 88 Ca 0.17 0.07 0.06 0.00 0.34 0.00 0.00 59.36 60.00 2kpo h GLU 88 Cb 0.74 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.56 2kpo h GLU 88 CO -0.00 -0.69 0.59 0.00 -1.16 0.00 0.00 179.01 177.75 2kpo h ALA 89 N -1.15 1.26 -0.36 3.43 0.00 -1.24 -0.72 119.26 120.48 2kpo h ALA 89 Ca -0.11 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kpo h ALA 89 Cb 0.84 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2kpo h ALA 89 CO 0.18 0.38 -0.07 0.87 0.00 0.00 0.00 179.25 180.61 2kpo h LYS 90 N 1.09 0.02 -0.14 0.00 1.57 -0.75 -1.09 116.57 117.27 2kpo h LYS 90 Ca 0.39 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2kpo h LYS 90 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2kpo h LYS 90 CO -0.16 0.01 0.04 -0.09 -0.57 0.00 0.00 179.45 178.68 2kpo h ARG 91 N 0.02 0.22 -0.93 3.15 2.43 -0.46 -2.90 114.38 115.91 2kpo h ARG 91 Ca 0.17 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2kpo h ARG 91 Cb 0.26 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 2kpo h ARG 91 CO -0.35 0.36 0.60 -1.49 -1.51 0.00 0.00 179.97 177.57 2kpo h TRP 92 N 0.03 1.03 -0.63 2.20 4.06 -0.77 0.29 115.95 122.16 2kpo h TRP 92 Ca 0.04 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.02 2kpo h TRP 92 Cb 0.23 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 2kpo h TRP 92 CO 0.00 0.48 0.40 0.82 -3.56 0.00 0.00 178.44 176.58 2kpo h ILE 93 N 0.96 1.18 0.25 1.49 2.04 -1.17 -0.91 117.51 121.36 2kpo h ILE 93 Ca 0.43 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2kpo h ILE 93 Cb 0.37 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2kpo h ILE 93 CO -0.19 0.18 -0.12 0.50 0.00 0.00 0.00 178.15 178.52 2kpo h LYS 94 N 0.86 -0.33 -0.53 2.37 3.64 -0.74 -2.42 116.57 119.42 2kpo h LYS 94 Ca 0.23 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 2kpo h LYS 94 Cb -0.06 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 2kpo h LYS 94 CO -0.05 -0.17 0.09 0.93 -2.27 0.00 0.00 179.45 177.99 2kpo h GLU 95 N -0.40 0.22 -0.50 1.90 4.39 -0.38 -0.89 114.58 118.92 2kpo h GLU 95 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kpo h GLU 95 Cb 0.31 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2kpo h GLU 95 CO 0.06 0.14 0.27 0.35 -1.16 0.00 0.00 179.01 178.68 2kpo h PHE 96 N 0.23 0.69 -0.29 4.33 3.04 -1.15 -0.70 116.94 123.09 2kpo h PHE 96 Ca 0.27 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 2kpo h PHE 96 Cb 0.39 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 2kpo h PHE 96 CO -0.25 0.51 0.02 1.03 -2.02 0.00 0.00 178.31 177.61 2kpo h SER 97 N 0.67 0.49 0.54 0.41 0.87 -0.90 0.40 113.55 116.04 2kpo h SER 97 Ca 0.18 -0.29 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2kpo h SER 97 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2kpo h SER 97 CO -0.03 0.65 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.34 2kpo h GLU 98 N 0.30 0.00 0.03 2.24 5.08 -1.09 -2.61 114.58 118.54 2kpo h GLU 98 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2kpo h GLU 98 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kpo h GLU 98 CO 0.01 0.25 -0.01 1.49 -1.00 0.00 0.00 179.01 179.75 2kpo h GLU 99 N 0.00 -0.04 0.00 2.33 4.22 -0.90 -3.48 114.58 116.71 2kpo h GLU 99 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2kpo h GLU 99 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kpo h GLU 99 CO 0.03 0.51 0.00 0.41 -2.18 0.00 0.00 179.01 177.78 2kpo n GLY 100 N 0.44 2.08 3.67 1.92 0.00 0.11 -4.90 105.19 108.51 2kpo n GLY 100 Ca -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 2kpo n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kpo s GLY 101 N 0.00 -0.32 -0.56 -0.02 0.00 -1.26 -4.92 107.32 100.24 2kpo s GLY 101 Ca 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.18 2kpo s GLY 101 CO 0.00 0.12 0.39 -1.35 0.00 0.00 0.00 173.10 172.25 2kpo s SER 102 N -2.84 5.43 -0.09 1.64 1.04 -1.26 -4.87 113.70 112.75 2kpo s SER 102 Ca 0.12 -2.48 0.11 0.00 0.48 0.00 0.00 55.95 54.18 2kpo s SER 102 Cb 0.01 -1.90 -0.24 0.00 0.10 0.00 0.00 66.02 63.99 2kpo s SER 102 CO -0.01 -0.48 0.49 0.18 0.98 0.00 0.00 173.24 174.39 2kpo n LEU 103 N 4.03 0.94 -4.56 2.42 4.77 -1.26 -4.74 117.00 118.60 2kpo n LEU 103 Ca 0.03 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 56.06 2kpo n LEU 103 Cb 0.40 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2kpo n LEU 103 CO 0.35 0.47 1.34 -1.83 -1.33 0.00 0.00 177.39 176.39 2kpo s GLU 104 N -2.57 2.37 -0.37 3.23 -1.05 -1.26 -4.94 118.70 114.12 2kpo s GLU 104 Ca -0.08 -0.32 -0.19 0.00 -0.15 0.00 0.00 54.97 54.23 2kpo s GLU 104 Cb 0.07 -5.05 0.00 0.00 -0.44 0.00 0.00 34.13 28.72 2kpo s GLU 104 CO 0.81 -3.68 0.58 -1.01 0.95 0.00 0.00 175.26 172.92 2kpo s HIS 105 N 11.08 3.15 -0.05 4.83 3.76 -1.26 -5.02 115.29 131.78 2kpo s HIS 105 Ca 0.73 0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 55.55 2kpo s HIS 105 Cb -0.07 -3.07 -0.07 0.00 1.11 0.00 0.00 32.58 30.48 2kpo s HIS 105 CO 0.03 -0.63 1.95 -1.58 -0.85 0.00 0.00 174.74 173.67 2kpo s HIS 106 N 2.58 1.40 -0.06 1.40 2.46 -1.26 -4.99 115.29 116.82 2kpo s HIS 106 Ca 0.21 -0.11 -0.08 0.00 0.47 0.00 0.00 55.06 55.56 2kpo s HIS 106 Cb -0.15 -4.12 0.02 0.00 -0.13 0.00 0.00 32.58 28.19 2kpo s HIS 106 CO 0.15 -4.87 0.20 -1.01 -2.47 0.00 0.00 174.74 166.74 2kpo s HIS 107 N 5.24 -0.18 0.06 3.88 3.76 -1.26 -5.14 115.29 121.65 2kpo s HIS 107 Ca 0.88 0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 55.91 2kpo s HIS 107 Cb -0.38 0.06 -0.07 0.00 1.11 0.00 0.00 32.58 33.30 2kpo s HIS 107 CO 0.38 -0.16 1.44 -1.58 -0.85 0.00 0.00 174.74 173.97 2kpo s HIS 108 N -0.23 2.95 -0.11 1.40 2.46 -1.26 -4.93 115.29 115.57 2kpo s HIS 108 Ca -0.03 0.79 -0.29 0.00 0.47 0.00 0.00 55.06 56.00 2kpo s HIS 108 Cb -0.03 -3.72 -0.06 0.00 -0.13 0.00 0.00 32.58 28.64 2kpo s HIS 108 CO 0.01 -2.65 1.96 -1.58 -2.47 0.00 0.00 174.74 170.01 2kpo s HIS 109 N 1.90 1.45 -2.22 3.88 2.46 -1.26 -5.32 115.29 116.18 2kpo s HIS 109 Ca 0.66 0.11 0.30 0.00 0.47 0.00 0.00 55.06 56.60 2kpo s HIS 109 Cb -0.35 -4.07 1.53 0.00 -0.13 0.00 0.00 32.58 29.55 2kpo s HIS 109 CO 0.29 -4.45 2.01 1.58 -2.47 0.00 0.00 174.74 171.70