#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 4.27 -0.11 -0.89 1.02 0.11 -4.98 118.68 118.10 2kpo s LEU 2 Ca 0.00 1.50 0.00 0.00 0.02 0.00 0.00 54.13 55.65 2kpo s LEU 2 Cb 0.00 -3.50 0.02 0.00 0.02 0.00 0.00 46.19 42.74 2kpo s LEU 2 CO 0.00 -0.38 -0.10 -0.76 0.02 0.00 0.00 176.35 175.12 2kpo s LEU 3 N 1.75 1.40 0.09 1.79 1.43 -1.26 -0.65 118.68 123.22 2kpo s LEU 3 Ca 0.47 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2kpo s LEU 3 Cb -0.19 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2kpo s LEU 3 CO 0.19 -0.07 -0.17 -0.31 0.23 0.00 0.00 176.35 176.22 2kpo s TYR 4 N 1.44 1.48 -0.10 0.29 1.51 -0.95 -3.89 117.35 117.12 2kpo s TYR 4 Ca 0.01 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 2kpo s TYR 4 Cb -0.13 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 2kpo s TYR 4 CO -0.06 0.12 -0.22 0.08 -1.11 0.00 0.00 175.55 174.36 2kpo s VAL 5 N -1.23 1.95 -0.20 0.71 1.01 -0.27 -0.44 120.40 121.94 2kpo s VAL 5 Ca 0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2kpo s VAL 5 Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2kpo s VAL 5 CO 0.03 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.79 2kpo s LEU 6 N 0.45 2.56 -0.09 3.92 1.43 0.86 -0.58 118.68 127.22 2kpo s LEU 6 Ca -0.17 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2kpo s LEU 6 Cb -0.17 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2kpo s LEU 6 CO 0.07 -0.00 -0.06 -0.51 0.23 0.00 0.00 176.35 176.07 2kpo s ILE 7 N 1.35 3.73 -0.27 -0.59 2.07 -0.93 -1.41 121.20 125.15 2kpo s ILE 7 Ca 0.05 -0.46 -0.00 0.00 -1.41 0.00 0.00 60.65 58.83 2kpo s ILE 7 Cb -0.14 -2.55 0.08 0.00 0.13 0.00 0.00 42.46 39.98 2kpo s ILE 7 CO -0.07 0.57 0.04 -0.63 -1.91 0.00 0.00 174.94 172.94 2kpo s ILE 8 N -0.48 1.17 0.20 2.00 1.01 0.52 -1.13 121.20 124.49 2kpo s ILE 8 Ca 0.07 -1.31 -0.22 0.00 0.00 0.00 0.00 60.65 59.19 2kpo s ILE 8 Cb -0.12 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.69 2kpo s ILE 8 CO 0.02 -0.41 0.65 -0.55 0.00 0.00 0.00 174.94 174.64 2kpo s SER 9 N 1.51 -0.46 -0.01 3.58 0.15 -1.26 -2.06 113.70 115.15 2kpo s SER 9 Ca 0.03 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 56.67 2kpo s SER 9 Cb -0.18 0.64 -0.26 0.00 -1.71 0.00 0.00 66.02 64.52 2kpo s SER 9 CO -0.14 -1.10 0.70 -3.20 1.20 0.00 0.00 173.24 170.69 2kpo n ASN 10 N -0.41 0.70 -4.52 5.45 2.85 -1.26 -4.88 115.26 113.19 2kpo n ASN 10 Ca -0.12 -0.60 -0.43 0.00 -0.11 0.00 0.00 54.58 53.32 2kpo n ASN 10 Cb 0.63 1.36 -0.04 0.00 1.24 0.00 0.00 39.78 42.96 2kpo n ASN 10 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2kpo s ASP 11 N -3.44 6.34 0.38 1.20 1.11 -1.26 -4.91 116.67 116.09 2kpo s ASP 11 Ca 0.02 -0.36 0.06 0.00 0.18 0.00 0.00 52.55 52.45 2kpo s ASP 11 Cb 0.14 -2.42 0.76 0.00 1.07 0.00 0.00 42.92 42.48 2kpo s ASP 11 CO 0.83 -1.16 2.00 0.11 1.18 0.00 0.00 175.17 178.14 2kpo h LYS 12 N 9.24 0.69 -0.41 8.23 1.79 -1.99 -1.17 116.57 132.94 2kpo h LYS 12 Ca -0.26 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.19 2kpo h LYS 12 Cb 1.08 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2kpo h LYS 12 CO 1.06 0.46 0.24 0.87 -1.08 0.00 0.00 179.45 181.00 2kpo h LYS 13 N 0.71 0.48 -0.47 3.15 1.79 -1.99 -0.16 116.57 120.07 2kpo h LYS 13 Ca 0.24 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.62 2kpo h LYS 13 Cb 0.08 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2kpo h LYS 13 CO -0.07 0.32 0.05 1.25 -1.08 0.00 0.00 179.45 179.92 2kpo h LEU 14 N 0.49 0.77 -0.52 2.94 6.46 -1.81 -1.40 115.31 122.25 2kpo h LEU 14 Ca 0.16 -0.28 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 2kpo h LEU 14 Cb 0.01 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.68 2kpo h LEU 14 CO -0.07 0.86 0.25 0.40 -0.62 0.00 0.00 178.44 179.25 2kpo h ILE 15 N 0.66 0.92 -0.04 4.05 2.04 -0.95 -0.44 117.51 123.75 2kpo h ILE 15 Ca 0.14 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kpo h ILE 15 Cb 0.43 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2kpo h ILE 15 CO 0.01 0.09 0.02 -0.33 0.00 0.00 0.00 178.15 177.94 2kpo h GLU 16 N 0.47 0.05 -0.82 2.37 4.39 -0.87 -0.20 114.58 119.97 2kpo h GLU 16 Ca 0.24 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.08 2kpo h GLU 16 Cb 0.18 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.73 2kpo h GLU 16 CO -0.19 0.07 0.40 0.93 -1.16 0.00 0.00 179.01 179.07 2kpo h GLU 17 N 0.01 0.56 -0.32 2.33 4.39 -0.88 0.78 114.58 121.44 2kpo h GLU 17 Ca 0.01 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2kpo h GLU 17 Cb 0.04 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2kpo h GLU 17 CO -0.00 0.37 0.01 0.00 -1.16 0.00 0.00 179.01 178.23 2kpo h ALA 18 N 1.55 0.44 -0.66 3.43 0.00 -0.76 -2.30 119.26 120.96 2kpo h ALA 18 Ca 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2kpo h ALA 18 Cb 0.64 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2kpo h ALA 18 CO -0.37 0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.37 2kpo h ARG 19 N 0.37 0.95 -0.72 0.00 3.08 -0.17 0.86 114.38 118.75 2kpo h ARG 19 Ca 0.09 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.09 2kpo h ARG 19 Cb 0.42 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 2kpo h ARG 19 CO 0.01 0.76 0.38 0.87 -1.07 0.00 0.00 179.97 180.92 2kpo h LYS 20 N 0.91 0.64 -0.33 0.04 6.56 -0.83 -0.97 116.57 122.58 2kpo h LYS 20 Ca 0.22 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.71 2kpo h LYS 20 Cb 0.12 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.63 2kpo h LYS 20 CO -0.03 0.42 -0.04 0.52 -2.06 0.00 0.00 179.45 178.27 2kpo h MET 21 N 0.66 0.62 -0.46 3.15 2.86 -0.86 -2.67 114.93 118.23 2kpo h MET 21 Ca 0.34 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 2kpo h MET 21 Cb 0.31 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2kpo h MET 21 CO -0.24 0.77 0.22 0.00 1.06 0.00 0.00 176.91 178.72 2kpo h ALA 22 N 0.83 0.57 -0.68 6.32 0.00 -0.36 0.29 119.26 126.24 2kpo h ALA 22 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kpo h ALA 22 Cb 0.51 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2kpo h ALA 22 CO 0.02 -0.14 0.44 0.93 0.00 0.00 0.00 179.25 180.50 2kpo h GLU 23 N 0.43 0.85 0.00 0.00 4.39 -1.20 0.11 114.58 119.17 2kpo h GLU 23 Ca 0.20 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 2kpo h GLU 23 Cb 0.12 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2kpo h GLU 23 CO -0.15 0.56 -0.33 0.87 -1.16 0.00 0.00 179.01 178.80 2kpo h LYS 24 N 0.88 0.00 -0.07 2.33 6.56 -1.03 -2.86 116.57 122.37 2kpo h LYS 24 Ca 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.85 2kpo h LYS 24 Cb -0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 2kpo h LYS 24 CO -0.08 0.33 0.00 0.00 -2.06 0.00 0.00 179.45 177.65 2kpo n ALA 25 N -2.39 2.53 -1.32 3.86 0.00 0.97 -4.93 120.51 119.23 2kpo n ALA 25 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 2kpo n ALA 25 Cb 0.41 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 0.54 -4.84 -4.88 0.00 3.02 0.20 -4.99 115.26 104.31 2kpo n ASN 26 Ca 0.17 0.27 -0.34 0.00 -0.03 0.00 0.00 54.58 54.66 2kpo n ASN 26 Cb 0.42 -3.31 -0.05 0.00 -0.61 0.00 0.00 39.78 36.23 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 -2.51 4.27 -0.39 3.41 1.43 -0.04 -5.00 118.68 119.85 2kpo s LEU 27 Ca 0.00 0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 53.19 2kpo s LEU 27 Cb 0.00 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.76 2kpo s LEU 27 CO 0.00 0.28 0.80 -0.70 0.23 0.00 0.00 176.35 176.97 2kpo s GLU 28 N -1.78 3.68 -0.25 1.70 2.12 -1.25 -4.27 118.70 118.64 2kpo s GLU 28 Ca 0.25 0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.72 2kpo s GLU 28 Cb -0.12 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 2kpo s GLU 28 CO 0.16 -0.94 0.13 -1.17 -0.54 0.00 0.00 175.26 172.90 2kpo s LEU 29 N 3.21 3.81 -0.04 2.70 0.20 -1.26 -1.11 118.68 126.19 2kpo s LEU 29 Ca 0.32 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.10 2kpo s LEU 29 Cb -0.13 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.57 2kpo s LEU 29 CO 0.19 0.00 -0.04 -0.13 -0.29 0.00 0.00 176.35 176.08 2kpo s ARG 30 N 1.42 2.76 -0.37 1.98 1.81 0.25 -4.99 118.95 121.81 2kpo s ARG 30 Ca 0.06 -0.57 -0.20 0.00 -1.72 0.00 0.00 55.73 53.30 2kpo s ARG 30 Cb -0.15 -2.63 0.01 0.00 -0.45 0.00 0.00 34.95 31.72 2kpo s ARG 30 CO 0.06 0.65 0.64 0.95 -0.68 0.00 0.00 175.30 176.92 2kpo s THR 31 N -0.93 4.88 -0.28 0.02 -4.23 -1.26 -2.19 115.64 111.64 2kpo s THR 31 Ca 0.15 0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 60.98 2kpo s THR 31 Cb -0.11 -4.10 -0.02 0.00 1.34 0.00 0.00 72.50 69.60 2kpo s THR 31 CO 0.05 -0.37 0.51 -0.69 -0.54 0.00 0.00 174.62 173.58 2kpo s VAL 32 N 2.73 5.06 -0.17 2.29 1.01 -0.29 -4.93 120.40 126.11 2kpo s VAL 32 Ca 0.24 0.75 0.07 0.00 0.00 0.00 0.00 61.98 63.04 2kpo s VAL 32 Cb -0.14 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 2kpo s VAL 32 CO 0.16 0.01 -0.06 0.29 0.00 0.00 0.00 175.10 175.50 2kpo n LYS 33 N 5.59 1.03 -4.35 2.72 5.02 -1.26 -4.45 118.16 122.46 2kpo n LYS 33 Ca -0.04 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 2kpo n LYS 33 Cb 0.50 -1.37 -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 -2.36 1.44 0.22 -0.18 -4.23 -1.26 -5.06 115.64 104.21 2kpo s THR 34 Ca -0.16 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.15 2kpo s THR 34 Cb 0.05 -2.22 0.17 0.00 1.34 0.00 0.00 72.50 71.84 2kpo s THR 34 CO 0.51 -0.46 1.75 -0.08 -0.54 0.00 0.00 174.62 175.80 2kpo h GLU 35 N 2.48 0.45 -0.73 3.99 4.57 -2.01 -2.58 114.58 120.75 2kpo h GLU 35 Ca -0.38 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.78 2kpo h GLU 35 Cb 1.22 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2kpo h GLU 35 CO 0.65 0.30 0.48 0.22 -1.18 0.00 0.00 179.01 179.47 2kpo h ASP 36 N 0.46 0.82 -0.57 1.04 1.82 -2.00 -2.77 116.42 115.21 2kpo h ASP 36 Ca 0.34 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 2kpo h ASP 36 Cb 0.42 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 2kpo h ASP 36 CO -0.32 0.58 0.31 -0.33 -1.61 0.00 0.00 179.24 177.87 2kpo h GLU 37 N 0.96 0.80 -0.41 0.28 5.08 -1.88 0.29 114.58 119.70 2kpo h GLU 37 Ca 0.28 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2kpo h GLU 37 Cb -0.08 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 28.94 2kpo h GLU 37 CO -0.07 0.62 -0.10 1.25 -1.00 0.00 0.00 179.01 179.71 2kpo h LEU 38 N 0.77 -0.38 -0.17 1.33 7.12 -1.32 -0.32 115.31 122.34 2kpo h LEU 38 Ca 0.20 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 2kpo h LEU 38 Cb 0.06 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 2kpo h LEU 38 CO -0.03 -0.14 0.08 0.50 -0.13 0.00 0.00 178.44 178.72 2kpo h LYS 39 N 0.00 0.25 -0.70 1.25 3.64 -1.27 -2.76 116.57 116.99 2kpo h LYS 39 Ca 0.20 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.66 2kpo h LYS 39 Cb 0.30 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 2kpo h LYS 39 CO -0.43 0.30 0.26 -0.22 -2.27 0.00 0.00 179.45 177.09 2kpo h LYS 40 N 0.14 0.40 -0.40 1.90 3.64 0.58 0.28 116.57 123.11 2kpo h LYS 40 Ca 0.06 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2kpo h LYS 40 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kpo h LYS 40 CO -0.01 0.26 -0.22 1.88 -2.27 0.00 0.00 179.45 179.10 2kpo h TYR 41 N 0.41 0.99 -0.80 1.91 0.05 -1.12 -3.15 116.97 115.25 2kpo h TYR 41 Ca 0.37 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2kpo h TYR 41 Cb 0.54 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 2kpo h TYR 41 CO -0.18 1.03 0.40 -0.07 -1.05 0.00 0.00 178.16 178.29 2kpo h LEU 42 N 0.66 1.03 -1.31 3.88 3.38 -0.76 -2.24 115.31 119.95 2kpo h LEU 42 Ca 0.09 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2kpo h LEU 42 Cb 0.78 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2kpo h LEU 42 CO 0.06 0.86 0.51 -0.33 0.09 0.00 0.00 178.44 179.63 2kpo h GLU 43 N 1.14 0.80 0.27 1.13 5.08 -0.50 0.04 114.58 122.54 2kpo h GLU 43 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2kpo h GLU 43 Cb 0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2kpo h GLU 43 CO -0.04 0.53 -0.13 1.49 -1.00 0.00 0.00 179.01 179.86 2kpo h GLU 44 N 0.82 -0.35 0.00 2.33 4.57 -1.40 -3.18 114.58 117.37 2kpo h GLU 44 Ca 0.34 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 2kpo h GLU 44 Cb 0.28 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2kpo h GLU 44 CO -0.12 -0.14 -0.02 0.74 -1.18 0.00 0.00 179.01 178.29 2kpo h PHE 45 N -0.51 0.00 -0.35 0.92 0.05 -0.68 -0.60 116.94 115.77 2kpo h PHE 45 Ca -0.04 0.00 0.07 0.00 3.82 0.00 0.00 57.97 61.82 2kpo h PHE 45 Cb 0.38 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 2kpo h PHE 45 CO -0.02 0.02 0.24 0.00 -0.18 0.00 0.00 178.31 178.37 2kpo h ARG 46 N 0.00 0.18 -0.26 1.51 3.08 -1.02 0.10 114.38 117.98 2kpo h ARG 46 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2kpo h ARG 46 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2kpo h ARG 46 CO 0.00 0.12 0.05 0.87 -1.07 0.00 0.00 179.97 179.95 2kpo h LYS 47 N 0.19 0.42 -0.45 0.04 1.57 -1.24 -2.98 116.57 114.13 2kpo h LYS 47 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kpo h LYS 47 Cb 0.39 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2kpo h LYS 47 CO -0.03 0.53 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 2kpo n GLU 48 N -4.69 2.00 0.05 3.15 4.71 -0.52 -4.44 120.64 120.90 2kpo n GLU 48 Ca -0.03 -1.23 0.03 0.00 -0.01 0.00 0.00 57.16 55.92 2kpo n GLU 48 Cb 0.19 -1.40 0.14 0.00 -1.01 0.00 0.00 31.44 29.36 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 0.41 0.14 -0.20 1.62 2.88 0.24 -2.14 113.62 116.57 2kpo n SER 49 Ca 0.11 0.48 -0.07 0.00 -1.33 0.00 0.00 58.87 58.07 2kpo n SER 49 Cb 0.38 -0.49 0.03 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.80 -0.09 -1.46 4.20 -1.85 -3.36 115.11 113.35 2kpo h GLN 50 Ca 0.00 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 2kpo h GLN 50 Cb 0.22 -0.16 -0.39 0.00 0.30 0.00 0.00 27.48 27.45 2kpo h GLN 50 CO 0.00 0.60 -1.06 0.09 -0.67 0.00 0.00 178.83 177.80 2kpo n ASN 51 N -4.60 1.13 -4.57 1.46 3.02 -0.91 -5.11 115.26 105.67 2kpo n ASN 51 Ca 0.04 -2.01 -0.29 0.00 -0.03 0.00 0.00 54.58 52.29 2kpo n ASN 51 Cb 0.08 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.83 3.30 -0.02 2.41 2.07 -1.14 0.07 121.20 127.07 2kpo s ILE 52 Ca 0.33 -1.39 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 2kpo s ILE 52 Cb 0.37 -2.57 0.01 0.00 0.13 0.00 0.00 42.46 40.40 2kpo s ILE 52 CO -0.14 0.04 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.35 2kpo s LYS 53 N -2.39 0.50 -0.13 3.50 1.02 0.17 -4.85 119.74 117.56 2kpo s LYS 53 Ca 0.22 -0.14 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 2kpo s LYS 53 Cb -0.10 -0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 2kpo s LYS 53 CO 0.14 0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.59 2kpo s VAL 54 N 0.24 3.33 -0.34 3.17 1.01 -1.22 -2.24 120.40 124.35 2kpo s VAL 54 Ca -0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2kpo s VAL 54 Cb -0.06 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2kpo s VAL 54 CO -0.00 0.52 0.19 -0.22 0.00 0.00 0.00 175.10 175.59 2kpo s LEU 55 N 0.21 4.39 -0.19 3.92 2.96 0.41 -0.06 118.68 130.32 2kpo s LEU 55 Ca -0.06 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 2kpo s LEU 55 Cb -0.15 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2kpo s LEU 55 CO 0.04 -0.26 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.13 2kpo s ILE 56 N 1.62 3.40 -0.26 6.68 1.01 0.28 -0.10 121.20 133.84 2kpo s ILE 56 Ca 0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 2kpo s ILE 56 Cb -0.18 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.79 2kpo s ILE 56 CO 0.07 0.45 -0.02 -0.76 0.00 0.00 0.00 174.94 174.69 2kpo s LEU 57 N 1.09 3.36 0.09 2.97 2.01 -0.50 -0.58 118.68 127.12 2kpo s LEU 57 Ca 0.01 -0.78 0.07 0.00 0.01 0.00 0.00 54.13 53.44 2kpo s LEU 57 Cb -0.15 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.28 2kpo s LEU 57 CO -0.01 -0.14 -0.11 0.68 1.01 0.00 0.00 176.35 177.79 2kpo s VAL 58 N 1.39 3.33 -0.03 -1.59 -7.23 -0.21 -0.35 120.40 115.70 2kpo s VAL 58 Ca 0.01 -1.22 0.12 0.00 -1.81 0.00 0.00 61.98 59.09 2kpo s VAL 58 Cb -0.17 -2.53 -0.18 0.00 0.56 0.00 0.00 36.38 34.06 2kpo s VAL 58 CO -0.02 0.16 0.91 -1.28 -0.31 0.00 0.00 175.10 174.55 2kpo h SER 59 N 3.80 0.00 -3.44 4.85 0.87 -1.61 0.22 113.55 118.24 2kpo h SER 59 Ca -0.49 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.42 2kpo h SER 59 Cb 1.17 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.97 2kpo h SER 59 CO 0.52 0.87 -0.74 0.20 -0.53 0.00 0.00 176.83 177.14 2kpo s ASN 60 N -6.20 4.29 0.27 6.23 0.01 -1.26 -4.73 114.94 113.54 2kpo s ASN 60 Ca -0.02 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.68 2kpo s ASN 60 Cb 0.09 -0.76 0.36 0.00 0.41 0.00 0.00 41.25 41.34 2kpo s ASN 60 CO 0.81 0.16 1.68 -2.24 -1.51 0.00 0.00 177.10 176.00 2kpo h ASP 61 N 3.44 0.49 -0.25 -1.22 2.03 -1.99 -1.49 116.42 117.43 2kpo h ASP 61 Ca -0.49 -0.18 -0.01 0.00 -0.73 0.00 0.00 57.03 55.62 2kpo h ASP 61 Cb 1.18 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 2kpo h ASP 61 CO 0.52 0.78 0.12 -0.33 -1.03 0.00 0.00 179.24 179.30 2kpo h GLU 62 N 0.41 0.35 -0.48 4.15 5.08 -2.00 -2.14 114.58 119.96 2kpo h GLU 62 Ca 0.05 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2kpo h GLU 62 Cb 0.75 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2kpo h GLU 62 CO 0.06 0.35 0.33 0.93 -1.00 0.00 0.00 179.01 179.67 2kpo h GLU 63 N 0.27 0.25 -0.29 2.33 3.07 -1.93 -0.25 114.58 118.05 2kpo h GLU 63 Ca 0.09 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 2kpo h GLU 63 Cb 0.10 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2kpo h GLU 63 CO -0.01 0.17 0.17 1.25 -1.40 0.00 0.00 179.01 179.19 2kpo h LEU 64 N 0.26 0.29 0.23 1.33 5.85 -0.63 0.44 115.31 123.07 2kpo h LEU 64 Ca 0.22 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2kpo h LEU 64 Cb 0.53 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kpo h LEU 64 CO -0.04 0.21 -0.11 0.44 -0.34 0.00 0.00 178.44 178.60 2kpo h ASP 65 N 0.36 -0.26 -0.14 1.25 5.19 -0.89 -2.68 116.42 119.25 2kpo h ASP 65 Ca 0.11 -0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 2kpo h ASP 65 Cb -0.01 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 2kpo h ASP 65 CO -0.05 0.02 -0.05 0.11 -3.12 0.00 0.00 179.24 176.15 2kpo h LYS 66 N -0.54 -0.03 -0.52 3.56 1.79 -1.00 0.28 116.57 120.11 2kpo h LYS 66 Ca -0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2kpo h LYS 66 Cb 0.40 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2kpo h LYS 66 CO 0.05 -0.02 0.33 0.00 -1.08 0.00 0.00 179.45 178.73 2kpo h ALA 67 N 1.10 0.67 0.00 3.86 0.00 -1.00 -2.30 119.26 121.60 2kpo h ALA 67 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kpo h ALA 67 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kpo h ALA 67 CO -0.16 0.05 -0.17 1.57 0.00 0.00 0.00 179.25 180.54 2kpo h LYS 68 N 0.65 0.00 0.53 0.00 2.10 -1.14 -3.26 116.57 115.46 2kpo h LYS 68 Ca 0.20 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.83 2kpo h LYS 68 Cb -0.02 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2kpo h LYS 68 CO -0.07 0.17 -0.25 0.93 -2.00 0.00 0.00 179.45 178.23 2kpo h GLU 69 N 0.00 -0.69 -0.86 0.07 5.08 0.10 -2.19 114.58 116.09 2kpo h GLU 69 Ca -0.00 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.61 2kpo h GLU 69 Cb 0.95 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 30.24 2kpo h GLU 69 CO 0.02 -0.46 0.35 -0.07 -1.00 0.00 0.00 179.01 177.85 2kpo h LEU 70 N -0.79 0.26 0.67 1.33 3.38 -1.54 0.40 115.31 119.03 2kpo h LEU 70 Ca -0.07 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2kpo h LEU 70 Cb 0.55 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2kpo h LEU 70 CO 0.12 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.33 2kpo h ALA 71 N 1.68 -0.90 0.00 1.53 0.00 -1.63 -2.66 119.26 117.29 2kpo h ALA 71 Ca 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2kpo h ALA 71 Cb 0.96 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kpo h ALA 71 CO -0.52 -0.96 -0.14 1.96 0.00 0.00 0.00 179.25 179.59 2kpo h GLN 72 N -0.99 0.00 -0.42 0.00 4.20 -0.46 0.16 115.11 117.59 2kpo h GLN 72 Ca -0.09 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2kpo h GLN 72 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2kpo h GLN 72 CO 0.15 0.14 -0.07 0.87 -0.67 0.00 0.00 178.83 179.26 2kpo h LYS 73 N 0.00 0.72 -0.65 1.46 1.79 -0.20 -2.74 116.57 116.96 2kpo h LYS 73 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2kpo h LYS 73 Cb 0.33 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2kpo h LYS 73 CO 0.02 0.78 0.00 -1.33 -1.08 0.00 0.00 179.45 177.84 2kpo n MET 74 N -4.19 3.59 -1.71 3.15 2.81 -0.45 -4.96 117.12 115.35 2kpo n MET 74 Ca 0.02 -2.85 -0.13 0.00 -1.81 0.00 0.00 57.70 52.92 2kpo n MET 74 Cb 0.33 -1.84 -0.04 0.00 -0.71 0.00 0.00 33.22 30.96 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 1.15 -0.98 -2.99 0.03 1.02 0.14 -4.99 120.64 114.02 2kpo n GLU 75 Ca 0.25 0.85 -0.40 0.00 -0.02 0.00 0.00 57.16 57.84 2kpo n GLU 75 Cb 0.85 -4.98 -0.04 0.00 -0.02 0.00 0.00 31.44 27.24 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 -2.56 5.01 -0.56 -3.67 1.01 0.31 -4.95 121.20 115.78 2kpo s ILE 76 Ca 0.00 1.54 -0.28 0.00 0.00 0.00 0.00 60.65 61.91 2kpo s ILE 76 Cb 0.00 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.42 2kpo s ILE 76 CO 0.00 0.22 1.17 -0.62 0.00 0.00 0.00 174.94 175.71 2kpo s ASP 77 N 0.85 6.47 0.07 3.58 -1.08 -1.26 -4.23 116.67 121.07 2kpo s ASP 77 Ca 0.39 0.13 0.05 0.00 -0.52 0.00 0.00 52.55 52.60 2kpo s ASP 77 Cb -0.18 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 2kpo s ASP 77 CO 0.19 -1.44 -0.13 0.68 0.52 0.00 0.00 175.17 174.99 2kpo s VAL 78 N 4.83 1.04 -0.92 1.11 -7.23 -1.26 -3.45 120.40 114.52 2kpo s VAL 78 Ca 0.43 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 2kpo s VAL 78 Cb -0.08 -1.03 0.18 0.00 0.56 0.00 0.00 36.38 36.01 2kpo s VAL 78 CO 0.26 -0.25 1.02 -0.13 -0.31 0.00 0.00 175.10 175.68 2kpo s ARG 79 N -1.75 3.68 -0.49 4.82 3.00 0.92 -4.97 118.95 124.15 2kpo s ARG 79 Ca -0.03 -2.17 -0.19 0.00 0.00 0.00 0.00 55.73 53.34 2kpo s ARG 79 Cb -0.10 -4.73 0.05 0.00 0.00 0.00 0.00 34.95 30.17 2kpo s ARG 79 CO 0.02 -1.56 0.61 0.99 0.00 0.00 0.00 175.30 175.36 2kpo s THR 80 N 1.44 4.88 0.27 0.02 2.01 -1.26 -0.56 115.64 122.45 2kpo s THR 80 Ca 0.28 -0.41 0.12 0.00 0.31 0.00 0.00 61.69 61.99 2kpo s THR 80 Cb -0.07 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 2kpo s THR 80 CO -0.09 -0.75 -0.20 -0.13 -0.69 0.00 0.00 174.62 172.76 2kpo s ARG 81 N 2.62 1.65 -0.21 4.92 1.81 0.25 -4.99 118.95 124.99 2kpo s ARG 81 Ca 0.16 -1.73 -0.05 0.00 -1.72 0.00 0.00 55.73 52.38 2kpo s ARG 81 Cb -0.18 -1.76 -0.02 0.00 -0.45 0.00 0.00 34.95 32.54 2kpo s ARG 81 CO 0.13 0.33 0.01 0.21 -0.68 0.00 0.00 175.30 175.30 2kpo s LYS 82 N -3.40 3.62 0.13 3.54 2.20 -1.26 -1.05 119.74 123.52 2kpo s LYS 82 Ca 0.28 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.44 2kpo s LYS 82 Cb -0.05 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2kpo s LYS 82 CO 0.14 -0.01 -0.03 0.14 -0.36 0.00 0.00 175.35 175.22 2kpo s VAL 83 N 1.08 3.70 0.04 4.02 -7.23 0.79 -4.92 120.40 117.87 2kpo s VAL 83 Ca 0.02 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2kpo s VAL 83 Cb -0.14 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2kpo s VAL 83 CO 0.02 0.03 -0.04 0.35 -0.31 0.00 0.00 175.10 175.14 2kpo n THR 84 N 0.34 0.95 -3.77 5.32 -2.24 -1.26 -4.33 114.28 109.29 2kpo n THR 84 Ca -0.11 0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 2kpo n THR 84 Cb 0.53 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 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 -5.79 6.48 0.27 3.42 0.01 -1.26 -5.02 113.70 111.82 2kpo s SER 85 Ca -0.04 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2kpo s SER 85 Cb 0.01 -2.07 0.62 0.00 0.21 0.00 0.00 66.02 64.79 2kpo s SER 85 CO 0.05 0.21 1.69 1.55 0.41 0.00 0.00 173.24 177.15 2kpo h PRO 86 N 3.72 0.32 0.00 12.44 0.13 -1.97 0.20 132.00 146.85 2kpo h PRO 86 Ca -0.49 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kpo h PRO 86 Cb 1.19 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kpo h PRO 86 CO 0.68 0.21 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.22 2kpo h ASP 87 N 0.33 0.00 0.83 1.44 3.45 -1.97 -0.43 116.42 120.08 2kpo h ASP 87 Ca 0.50 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.93 2kpo h ASP 87 Cb 0.93 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 2kpo h ASP 87 CO -0.54 0.01 -0.45 -0.33 -1.57 0.00 0.00 179.24 176.36 2kpo h GLU 88 N 0.00 -1.14 -0.77 3.56 4.39 -1.35 -0.29 114.58 118.98 2kpo h GLU 88 Ca -0.00 0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.82 2kpo h GLU 88 Cb 0.01 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 2kpo h GLU 88 CO 0.00 -0.76 0.48 0.00 -1.16 0.00 0.00 179.01 177.57 2kpo h ALA 89 N -1.06 1.02 -0.65 3.43 0.00 -1.41 -0.80 119.26 119.81 2kpo h ALA 89 Ca -0.11 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2kpo h ALA 89 Cb 0.92 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2kpo h ALA 89 CO 0.15 0.24 0.31 0.87 0.00 0.00 0.00 179.25 180.83 2kpo h LYS 90 N 0.91 0.54 -0.20 0.00 1.57 -1.03 -1.38 116.57 116.97 2kpo h LYS 90 Ca 0.32 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2kpo h LYS 90 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2kpo h LYS 90 CO -0.14 0.36 0.04 -0.09 -0.57 0.00 0.00 179.45 179.05 2kpo h ARG 91 N 0.56 0.33 -0.94 3.15 2.43 -0.32 -2.69 114.38 116.90 2kpo h ARG 91 Ca 0.31 -0.08 0.13 0.00 -0.81 0.00 0.00 59.98 59.52 2kpo h ARG 91 Cb 0.30 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 2kpo h ARG 91 CO -0.24 0.47 0.60 -1.49 -1.51 0.00 0.00 179.97 177.79 2kpo h TRP 92 N 0.13 0.98 -0.44 2.20 4.06 -0.60 0.35 115.95 122.62 2kpo h TRP 92 Ca 0.06 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.98 2kpo h TRP 92 Cb 0.29 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 2kpo h TRP 92 CO 0.02 0.39 0.02 0.82 -3.56 0.00 0.00 178.44 176.12 2kpo h ILE 93 N 0.85 1.23 0.40 1.49 2.04 -1.19 -0.44 117.51 121.89 2kpo h ILE 93 Ca 0.46 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2kpo h ILE 93 Cb 0.57 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2kpo h ILE 93 CO -0.23 0.32 -0.19 0.50 0.00 0.00 0.00 178.15 178.55 2kpo h LYS 94 N 0.68 -0.52 -0.56 2.37 1.63 -0.16 -0.74 116.57 119.26 2kpo h LYS 94 Ca 0.14 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.08 2kpo h LYS 94 Cb 0.39 0.12 -0.11 0.00 -0.60 0.00 0.00 32.23 32.03 2kpo h LYS 94 CO 0.01 -0.22 -0.27 0.93 -3.45 0.00 0.00 179.45 176.45 2kpo h GLU 95 N -0.84 -0.12 -0.48 1.90 4.39 -0.45 -0.03 114.58 118.95 2kpo h GLU 95 Ca -0.06 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2kpo h GLU 95 Cb 0.55 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2kpo h GLU 95 CO 0.09 -0.08 0.13 0.35 -1.16 0.00 0.00 179.01 178.34 2kpo h PHE 96 N -0.13 0.79 0.00 4.33 3.04 -1.11 -1.54 116.94 122.32 2kpo h PHE 96 Ca 0.24 -0.09 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 2kpo h PHE 96 Cb 0.52 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 2kpo h PHE 96 CO -0.57 0.70 -0.24 0.66 -2.02 0.00 0.00 178.31 176.84 2kpo h SER 97 N 0.65 0.00 0.03 0.41 4.64 -0.53 -2.18 113.55 116.56 2kpo h SER 97 Ca 0.15 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 2kpo h SER 97 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2kpo h SER 97 CO -0.00 0.24 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.29 2kpo h GLU 98 N 0.00 0.33 -0.70 4.77 5.08 -0.65 -3.33 114.58 120.08 2kpo h GLU 98 Ca -0.00 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 2kpo h GLU 98 Cb 0.59 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2kpo h GLU 98 CO 0.03 1.10 0.22 1.05 -1.00 0.00 0.00 179.01 180.41 2kpo h GLU 99 N -0.26 1.08 0.00 2.33 4.11 -1.17 -3.46 114.58 117.21 2kpo h GLU 99 Ca -0.08 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2kpo h GLU 99 Cb 1.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kpo h GLU 99 CO 0.11 0.92 0.00 0.41 0.07 0.00 0.00 179.01 180.52 2kpo n GLY 100 N -0.81 0.65 2.65 1.06 0.00 -0.83 -1.91 105.19 106.00 2kpo n GLY 100 Ca 0.06 0.36 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 2.69 2.10 -0.02 0.00 -1.26 -4.86 105.19 103.84 2kpo n GLY 101 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 2kpo n GLY 101 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kpo n SER 102 N -0.61 -2.37 0.29 1.61 2.88 -0.80 -4.88 113.62 109.75 2kpo n SER 102 Ca 0.14 0.94 0.15 0.00 -1.33 0.00 0.00 58.87 58.76 2kpo n SER 102 Cb 0.84 -3.70 0.89 0.00 -0.75 0.00 0.00 64.21 61.49 2kpo n SER 102 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kpo h LEU 103 N 2.62 0.00 -8.51 2.46 3.38 -1.89 -3.44 115.31 109.93 2kpo h LEU 103 Ca -0.28 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 2kpo h LEU 103 Cb 0.62 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 2kpo h LEU 103 CO 0.00 0.02 -0.66 -1.83 0.09 0.00 0.00 178.44 176.07 2kpo s GLU 104 N -4.57 0.97 -0.30 1.13 -1.05 -1.26 -5.15 118.70 108.47 2kpo s GLU 104 Ca -0.05 -1.45 -0.05 0.00 -0.15 0.00 0.00 54.97 53.27 2kpo s GLU 104 Cb 0.15 0.01 0.18 0.00 -0.44 0.00 0.00 34.13 34.03 2kpo s GLU 104 CO 0.55 -0.18 0.73 -3.38 0.95 0.00 0.00 175.26 173.93 2kpo s HIS 105 N -3.86 -1.28 0.34 4.83 -3.43 -1.26 -5.04 115.29 105.58 2kpo s HIS 105 Ca 0.22 1.48 0.11 0.00 -0.80 0.00 0.00 55.06 56.07 2kpo s HIS 105 Cb 0.07 0.49 0.59 0.00 -1.43 0.00 0.00 32.58 32.30 2kpo s HIS 105 CO 0.01 -0.69 1.76 1.25 -2.00 0.00 0.00 174.74 175.07 2kpo h HIS 106 N 7.97 0.06 -3.49 0.38 2.76 -2.02 -3.41 115.15 117.40 2kpo h HIS 106 Ca -0.20 -0.01 -0.52 0.00 -2.20 0.00 0.00 60.37 57.43 2kpo h HIS 106 Cb 1.16 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 2kpo h HIS 106 CO 0.10 0.47 0.45 -1.01 -1.30 0.00 0.00 177.93 176.64 2kpo s HIS 107 N -4.06 3.64 0.06 5.26 3.76 -1.26 -4.96 115.29 117.72 2kpo s HIS 107 Ca -0.03 1.62 -0.16 0.00 -0.15 0.00 0.00 55.06 56.34 2kpo s HIS 107 Cb 0.14 -3.22 -0.23 0.00 1.11 0.00 0.00 32.58 30.38 2kpo s HIS 107 CO 0.74 -0.43 1.17 1.25 -0.85 0.00 0.00 174.74 176.63 2kpo h HIS 108 N 5.68 0.93 0.00 1.40 2.76 -2.05 -3.49 115.15 120.38 2kpo h HIS 108 Ca -0.43 -0.50 0.00 0.00 -2.20 0.00 0.00 60.37 57.24 2kpo h HIS 108 Cb 1.21 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2kpo h HIS 108 CO 0.64 1.33 0.00 -2.39 -1.30 0.00 0.00 177.93 176.22 2kpo n HIS 109 N -3.96 0.00 -0.57 5.26 1.44 -1.26 -5.17 115.22 110.95 2kpo n HIS 109 Ca -0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 2kpo n HIS 109 Cb 0.82 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.93 2kpo n HIS 109 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14