#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9a n ALA 2 N 0.00 4.74 -1.99 2.24 0.00 -1.26 -4.89 120.51 119.35 1d9a n ALA 2 Ca 0.00 -4.72 -0.26 0.00 0.00 0.00 0.00 53.44 48.46 1d9a n ALA 2 Cb 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.46 1d9a n ALA 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1d9a s ASN 3 N -2.88 5.16 0.10 0.00 2.20 -1.26 -0.92 114.94 117.34 1d9a s ASN 3 Ca 0.45 0.54 0.03 0.00 -0.94 0.00 0.00 52.86 52.93 1d9a s ASN 3 Cb 0.22 -1.34 -0.04 0.00 -2.00 0.00 0.00 41.25 38.09 1d9a s ASN 3 CO -0.09 -1.35 -0.08 -0.76 -2.94 0.00 0.00 177.10 171.87 1d9a s LEU 4 N -5.12 2.44 -0.34 3.54 1.43 0.12 -3.94 118.68 116.82 1d9a s LEU 4 Ca 0.57 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1d9a s LEU 4 Cb -0.11 -0.19 0.12 0.00 0.03 0.00 0.00 46.19 46.05 1d9a s LEU 4 CO 0.45 -0.35 0.18 -0.47 0.23 0.00 0.00 176.35 176.38 1d9a s TYR 5 N -2.91 0.81 -0.48 0.29 6.14 0.06 -2.79 117.35 118.47 1d9a s TYR 5 Ca 0.07 -1.48 -0.14 0.00 0.64 0.00 0.00 57.07 56.17 1d9a s TYR 5 Cb 0.00 -1.08 0.09 0.00 0.42 0.00 0.00 41.96 41.39 1d9a s TYR 5 CO -0.02 -0.83 0.38 0.08 0.64 0.00 0.00 175.55 175.81 1d9a s VAL 6 N 1.37 4.93 0.49 3.14 1.01 -0.63 -1.68 120.40 129.03 1d9a s VAL 6 Ca 0.14 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1d9a s VAL 6 Cb -0.20 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1d9a s VAL 6 CO -0.13 -0.64 0.63 -0.94 0.00 0.00 0.00 175.10 174.01 1d9a s SER 7 N 2.72 5.28 -0.23 3.32 1.04 -1.06 -1.01 113.70 123.77 1d9a s SER 7 Ca 0.04 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 1d9a s SER 7 Cb -0.25 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1d9a s SER 7 CO 0.04 -1.01 0.01 0.61 0.98 0.00 0.00 173.24 173.87 1d9a n GLY 8 N -1.97 0.31 3.90 7.32 0.00 -1.26 -1.92 105.19 111.57 1d9a n GLY 8 Ca 0.10 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1d9a n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d9a s LEU 9 N -0.89 3.94 0.88 0.99 1.43 -1.23 -3.56 118.68 120.25 1d9a s LEU 9 Ca 0.01 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 53.82 1d9a s LEU 9 Cb -0.00 -3.70 0.13 0.00 0.03 0.00 0.00 46.19 42.64 1d9a s LEU 9 CO 0.01 -0.31 1.18 -2.16 0.23 0.00 0.00 176.35 175.30 1d9a s PRO 10 N -3.84 1.35 0.38 1.29 0.04 -1.26 -4.90 135.00 128.05 1d9a s PRO 10 Ca 0.46 0.09 0.27 0.00 0.04 0.00 0.00 61.00 61.87 1d9a s PRO 10 Cb -0.10 -1.88 0.98 0.00 0.04 0.00 0.00 34.50 33.54 1d9a s PRO 10 CO 0.33 -2.02 1.80 -0.22 0.04 0.00 0.00 177.00 176.93 1d9a h LYS 11 N -1.36 0.00 0.00 4.56 3.64 -1.98 -2.52 116.57 118.91 1d9a h LYS 11 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1d9a h LYS 11 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1d9a h LYS 11 CO 0.59 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 178.02 1d9a n THR 12 N -2.67 0.02 -1.66 1.00 -2.24 -1.26 -4.74 114.28 102.73 1d9a n THR 12 Ca 0.02 0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 1d9a n THR 12 Cb 0.34 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 1d9a n THR 12 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1d9a s MET 13 N -2.76 2.56 0.32 -0.78 0.00 -0.95 -4.94 119.30 112.75 1d9a s MET 13 Ca 0.22 1.52 -0.05 0.00 0.00 0.00 0.00 55.69 57.38 1d9a s MET 13 Cb 0.19 -4.47 -0.05 0.00 0.00 0.00 0.00 34.83 30.50 1d9a s MET 13 CO 0.48 -2.76 0.60 0.45 0.00 0.00 0.00 175.02 173.79 1d9a s SER 14 N 10.12 6.44 0.08 1.11 0.15 -1.26 -4.96 113.70 125.38 1d9a s SER 14 Ca 0.94 0.77 -0.32 0.00 0.70 0.00 0.00 55.95 58.05 1d9a s SER 14 Cb -0.22 -2.17 -0.17 0.00 -1.71 0.00 0.00 66.02 61.76 1d9a s SER 14 CO 0.29 -0.25 1.63 1.56 1.20 0.00 0.00 173.24 177.67 1d9a h GLN 15 N 1.50 -0.77 0.00 5.44 4.20 -1.92 -0.64 115.11 122.92 1d9a h GLN 15 Ca -0.48 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.22 1d9a h GLN 15 Cb 1.19 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1d9a h GLN 15 CO 0.65 -0.51 -0.32 -0.22 -0.67 0.00 0.00 178.83 177.76 1d9a h LYS 16 N -0.80 0.00 -0.37 1.46 1.63 -1.94 -1.06 116.57 115.49 1d9a h LYS 16 Ca -0.06 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1d9a h LYS 16 Cb 0.65 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1d9a h LYS 16 CO 0.07 0.32 0.22 1.49 -3.45 0.00 0.00 179.45 178.09 1d9a h GLU 17 N 0.00 0.49 0.00 1.90 4.81 -1.78 0.21 114.58 120.21 1d9a h GLU 17 Ca -0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1d9a h GLU 17 Cb 0.63 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1d9a h GLU 17 CO 0.04 0.35 -0.29 1.98 -0.73 0.00 0.00 179.01 180.36 1d9a h MET 18 N 0.50 0.00 0.00 1.92 4.05 0.08 -2.99 114.93 118.50 1d9a h MET 18 Ca 0.13 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.40 1d9a h MET 18 Cb -0.01 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1d9a h MET 18 CO -0.02 0.19 -0.74 1.49 0.23 0.00 0.00 176.91 178.05 1d9a h GLU 19 N 0.00 0.00 0.00 0.39 4.81 0.31 -2.75 114.58 117.34 1d9a h GLU 19 Ca -0.01 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1d9a h GLU 19 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1d9a h GLU 19 CO 0.02 0.74 -0.92 1.96 -0.73 0.00 0.00 179.01 180.09 1d9a h GLN 20 N 0.00 0.00 -0.19 1.92 1.08 -1.06 0.15 115.11 117.00 1d9a h GLN 20 Ca -0.01 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 1d9a h GLN 20 Cb 1.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 1d9a h GLN 20 CO 0.10 0.62 -0.40 1.25 -0.95 0.00 0.00 178.83 179.45 1d9a h LEU 21 N 0.00 0.69 0.00 1.46 5.85 -1.51 -2.97 115.31 118.84 1d9a h LEU 21 Ca -0.06 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1d9a h LEU 21 Cb 1.59 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1d9a h LEU 21 CO 0.08 1.12 -1.10 0.49 -0.34 0.00 0.00 178.44 178.69 1d9a n PHE 22 N -4.24 0.61 -0.14 1.25 3.01 -1.04 -3.98 117.46 112.93 1d9a n PHE 22 Ca -0.06 0.18 -0.10 0.00 1.01 0.00 0.00 57.45 58.48 1d9a n PHE 22 Cb 0.54 -0.73 0.04 0.00 -0.01 0.00 0.00 39.48 39.31 1d9a n PHE 22 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1d9a h SER 23 N 0.00 0.94 0.19 4.37 0.02 -0.72 -2.13 113.55 116.22 1d9a h SER 23 Ca 0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1d9a h SER 23 Cb 0.90 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1d9a h SER 23 CO 0.00 1.11 -0.06 -0.61 -1.14 0.00 0.00 176.83 176.13 1d9a h GLN 24 N 0.81 0.00 0.00 3.45 5.75 -1.65 -1.16 115.11 122.31 1d9a h GLN 24 Ca 0.11 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.41 1d9a h GLN 24 Cb 0.75 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 1d9a h GLN 24 CO 0.06 0.06 -0.95 1.88 -2.65 0.00 0.00 178.83 177.23 1d9a h TYR 25 N 0.00 0.00 0.00 3.99 -1.99 -1.55 -3.47 116.97 113.95 1d9a h TYR 25 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1d9a h TYR 25 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1d9a h TYR 25 CO 0.00 0.95 0.00 0.41 -0.00 0.00 0.00 178.16 179.52 1d9a n GLY 26 N 1.29 1.65 3.39 3.88 0.00 -0.44 -4.95 105.19 110.02 1d9a n GLY 26 Ca 0.00 0.09 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 1d9a n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d9a n ARG 27 N -0.14 0.23 -2.40 1.61 1.74 -1.24 -4.33 116.66 112.13 1d9a n ARG 27 Ca 0.00 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 1d9a n ARG 27 Cb 0.00 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.63 1d9a n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1d9a s ILE 28 N 7.76 4.27 0.00 0.55 1.01 -1.26 -4.22 121.20 129.30 1d9a s ILE 28 Ca 1.23 1.17 0.00 0.00 0.00 0.00 0.00 60.65 63.05 1d9a s ILE 28 Cb -1.22 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1d9a s ILE 28 CO 0.54 -0.54 0.00 -0.38 0.00 0.00 0.00 174.94 174.56 1d9a n ILE 29 N -1.48 0.00 -4.64 2.92 2.08 -0.54 -4.92 119.36 112.79 1d9a n ILE 29 Ca 0.07 0.32 -0.28 0.00 0.56 0.00 0.00 62.75 63.43 1d9a n ILE 29 Cb 0.54 -1.12 -0.17 0.00 -0.75 0.00 0.00 39.64 38.14 1d9a n ILE 29 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1d9a s THR 30 N -0.65 1.46 0.17 1.39 -4.23 -1.22 -5.02 115.64 107.54 1d9a s THR 30 Ca 0.00 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1d9a s THR 30 Cb 0.00 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.48 1d9a s THR 30 CO 0.00 0.43 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.93 1d9a s SER 31 N 0.76 1.47 0.00 3.99 0.15 -1.26 -1.65 113.70 117.16 1d9a s SER 31 Ca -0.12 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.40 1d9a s SER 31 Cb -0.16 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1d9a s SER 31 CO 0.02 -0.49 0.00 -1.14 1.20 0.00 0.00 173.24 172.83 1d9a n ARG 32 N -0.25 0.00 -3.69 5.44 0.63 -1.15 -4.97 116.66 112.66 1d9a n ARG 32 Ca -0.08 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.48 1d9a n ARG 32 Cb 0.63 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.42 1d9a n ARG 32 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1d9a s ILE 33 N -2.00 4.97 -0.62 5.15 1.01 -1.26 -1.79 121.20 126.66 1d9a s ILE 33 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 1d9a s ILE 33 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.18 1d9a s ILE 33 CO 0.00 0.31 1.06 -0.22 0.00 0.00 0.00 174.94 176.09 1d9a s LEU 34 N 1.49 3.86 -0.29 2.97 0.20 0.18 -4.89 118.68 122.19 1d9a s LEU 34 Ca 0.07 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.47 1d9a s LEU 34 Cb -0.15 -2.74 0.19 0.00 -0.43 0.00 0.00 46.19 43.06 1d9a s LEU 34 CO 0.07 -1.45 0.68 -0.22 -0.29 0.00 0.00 176.35 175.14 1d9a s LEU 35 N 4.52 -1.36 0.17 -0.68 1.98 -1.26 0.25 118.68 122.29 1d9a s LEU 35 Ca 0.32 0.31 0.08 0.00 -2.89 0.00 0.00 54.13 51.95 1d9a s LEU 35 Cb -0.12 1.93 -0.04 0.00 0.66 0.00 0.00 46.19 48.62 1d9a s LEU 35 CO 0.17 -0.25 -0.16 -0.62 -1.89 0.00 0.00 176.35 173.60 1d9a s ASP 36 N 2.86 2.50 -0.42 3.68 2.15 0.11 -4.67 116.67 122.89 1d9a s ASP 36 Ca 0.14 -0.89 0.09 0.00 0.43 0.00 0.00 52.55 52.31 1d9a s ASP 36 Cb -0.10 -0.13 0.31 0.00 -0.30 0.00 0.00 42.92 42.70 1d9a s ASP 36 CO -0.24 -0.09 0.87 0.00 -0.17 0.00 0.00 175.17 175.54 1d9a n GLN 37 N 0.17 0.94 0.00 4.34 10.64 -1.26 0.25 117.38 132.46 1d9a n GLN 37 Ca -0.12 -2.61 0.00 0.00 -1.83 0.00 0.00 57.00 52.44 1d9a n GLN 37 Cb 0.58 -1.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.60 1d9a n GLN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1d9a n ALA 38 N 0.61 0.00 -1.36 2.61 0.00 -1.26 -4.97 120.51 116.14 1d9a n ALA 38 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1d9a n ALA 38 Cb 0.66 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.14 1d9a n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1d9a n THR 39 N -1.06 0.62 0.00 0.00 -2.24 -1.26 -5.04 114.28 105.31 1d9a n THR 39 Ca 0.00 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1d9a n THR 39 Cb 0.00 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1d9a n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d9a n GLY 40 N -0.45 0.94 3.50 3.38 0.00 -1.26 -5.16 105.19 106.14 1d9a n GLY 40 Ca 0.04 0.28 -0.17 0.00 0.00 0.00 0.00 46.02 46.17 1d9a n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d9a s VAL 41 N 1.64 0.00 -0.87 1.61 1.01 -1.24 -4.90 120.40 117.64 1d9a s VAL 41 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1d9a s VAL 41 Cb 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1d9a s VAL 41 CO 0.00 -0.01 1.40 -0.94 0.00 0.00 0.00 175.10 175.55 1d9a s SER 42 N -1.49 6.26 -0.04 3.32 1.04 0.71 0.09 113.70 123.59 1d9a s SER 42 Ca -0.09 -0.90 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1d9a s SER 42 Cb -0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1d9a s SER 42 CO 0.06 -1.73 0.14 0.03 0.98 0.00 0.00 173.24 172.72 1d9a h ARG 43 N 10.12 -0.07 0.00 4.02 3.08 -1.73 -3.44 114.38 126.36 1d9a h ARG 43 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1d9a h ARG 43 Cb 1.03 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1d9a h ARG 43 CO 1.35 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 180.61 1d9a n GLY 44 N 1.53 1.79 3.94 0.04 0.00 0.14 -4.88 105.19 107.75 1d9a n GLY 44 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1d9a n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d9a s VAL 45 N -2.33 2.26 -0.17 1.61 1.01 -0.62 -3.48 120.40 118.67 1d9a s VAL 45 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1d9a s VAL 45 Cb 0.00 -2.96 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1d9a s VAL 45 CO 0.00 0.00 0.34 -0.83 0.00 0.00 0.00 175.10 174.61 1d9a s GLY 46 N -4.57 -0.24 0.49 4.51 0.00 -0.18 0.49 107.32 107.83 1d9a s GLY 46 Ca 0.62 1.16 -0.03 0.00 0.00 0.00 0.00 44.72 46.46 1d9a s GLY 46 CO 0.45 2.21 0.76 -1.36 0.00 0.00 0.00 173.10 175.16 1d9a s PHE 47 N 2.51 3.35 -0.18 1.90 0.40 -0.74 -1.60 117.98 123.63 1d9a s PHE 47 Ca 0.01 0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 56.81 1d9a s PHE 47 Cb -0.12 -2.40 0.09 0.00 0.51 0.00 0.00 43.02 41.09 1d9a s PHE 47 CO -0.11 -0.43 0.36 0.42 0.70 0.00 0.00 175.22 176.16 1d9a s ILE 48 N -2.72 -0.56 -0.46 0.64 -1.09 -1.12 -2.96 121.20 112.93 1d9a s ILE 48 Ca 0.49 0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.97 1d9a s ILE 48 Cb -0.10 -0.61 0.09 0.00 -1.58 0.00 0.00 42.46 40.26 1d9a s ILE 48 CO 0.42 0.06 0.35 -0.60 -1.23 0.00 0.00 174.94 173.94 1d9a s ARG 49 N 2.54 2.73 0.56 2.79 3.52 -0.66 0.12 118.95 130.55 1d9a s ARG 49 Ca 0.01 -1.54 -0.14 0.00 -0.13 0.00 0.00 55.73 53.93 1d9a s ARG 49 Cb -0.12 -3.98 -0.06 0.00 -1.56 0.00 0.00 34.95 29.22 1d9a s ARG 49 CO -0.12 -1.08 1.01 -0.06 -0.81 0.00 0.00 175.30 174.24 1d9a s PHE 50 N 1.49 3.50 0.04 5.12 0.08 -0.10 -1.46 117.98 126.65 1d9a s PHE 50 Ca 0.04 1.40 -0.23 0.00 0.12 0.00 0.00 56.93 58.25 1d9a s PHE 50 Cb -0.25 -2.77 -0.16 0.00 -0.57 0.00 0.00 43.02 39.27 1d9a s PHE 50 CO 0.03 -0.53 1.51 0.22 -0.10 0.00 0.00 175.22 176.34 1d9a h ASP 51 N 0.40 0.07 -3.12 1.36 1.82 -1.87 -3.39 116.42 111.69 1d9a h ASP 51 Ca -0.46 -0.26 -0.63 0.00 -0.39 0.00 0.00 57.03 55.30 1d9a h ASP 51 Cb 1.19 -0.02 -0.09 0.00 0.68 0.00 0.00 39.33 41.09 1d9a h ASP 51 CO 0.61 0.31 -0.61 -0.54 -1.61 0.00 0.00 179.24 177.40 1d9a s LYS 52 N -5.18 2.78 0.45 0.28 -0.14 -1.26 -4.74 119.74 111.93 1d9a s LYS 52 Ca -0.14 -0.78 0.23 0.00 -1.36 0.00 0.00 55.97 53.92 1d9a s LYS 52 Cb 0.04 -2.65 1.06 0.00 -1.68 0.00 0.00 37.83 34.61 1d9a s LYS 52 CO 0.68 0.54 1.90 0.07 -0.76 0.00 0.00 175.35 177.78 1d9a h ARG 53 N 3.14 0.00 0.00 1.68 -0.00 -1.90 -2.20 114.38 115.10 1d9a h ARG 53 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.42 1d9a h ARG 53 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.13 1d9a h ARG 53 CO 0.64 0.23 -0.44 0.82 -0.00 0.00 0.00 179.97 181.21 1d9a h ILE 54 N 0.00 1.12 -0.04 0.08 1.08 -1.97 -0.03 117.51 117.75 1d9a h ILE 54 Ca -0.00 -1.60 -0.17 0.00 -0.39 0.00 0.00 64.86 62.70 1d9a h ILE 54 Cb 0.61 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 1d9a h ILE 54 CO 0.03 0.43 -0.74 -0.08 -0.69 0.00 0.00 178.15 177.09 1d9a h GLU 55 N 0.00 0.23 0.00 2.37 4.57 -1.80 -1.70 114.58 118.26 1d9a h GLU 55 Ca -0.00 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1d9a h GLU 55 Cb 0.88 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1d9a h GLU 55 CO 0.06 0.87 -0.46 0.00 -1.18 0.00 0.00 179.01 178.30 1d9a h ALA 56 N 1.07 0.79 0.00 2.92 0.00 -1.35 -2.89 119.26 119.79 1d9a h ALA 56 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1d9a h ALA 56 Cb 1.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1d9a h ALA 56 CO 0.12 0.19 -0.08 0.93 0.00 0.00 0.00 179.25 180.41 1d9a h GLU 57 N 0.00 0.00 -0.66 0.00 5.08 -0.89 -1.31 114.58 116.81 1d9a h GLU 57 Ca -0.01 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1d9a h GLU 57 Cb 1.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1d9a h GLU 57 CO 0.02 0.47 0.44 0.93 -1.00 0.00 0.00 179.01 179.86 1d9a h GLU 58 N -1.00 0.61 -0.00 2.33 4.39 -1.45 -2.49 114.58 116.96 1d9a h GLU 58 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1d9a h GLU 58 Cb 0.51 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1d9a h GLU 58 CO -0.01 0.40 -0.05 0.00 -1.16 0.00 0.00 179.01 178.19 1d9a h ALA 59 N 1.65 0.01 -0.59 3.43 0.00 -1.60 -2.91 119.26 119.25 1d9a h ALA 59 Ca 0.29 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1d9a h ALA 59 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1d9a h ALA 59 CO -0.09 -0.08 0.78 0.82 0.00 0.00 0.00 179.25 180.67 1d9a h ILE 60 N -0.67 0.16 0.07 0.00 2.04 -0.79 0.45 117.51 118.77 1d9a h ILE 60 Ca -0.01 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.54 1d9a h ILE 60 Cb 0.79 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1d9a h ILE 60 CO 0.01 0.00 -1.73 0.11 0.00 0.00 0.00 178.15 176.54 1d9a h LYS 61 N 0.00 0.14 -0.17 2.37 1.57 -1.42 -2.19 116.57 116.87 1d9a h LYS 61 Ca 0.28 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1d9a h LYS 61 Cb 1.83 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1d9a h LYS 61 CO -0.00 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1d9a n GLY 62 N 1.71 -0.11 1.14 3.86 0.00 0.15 -4.26 105.19 107.67 1d9a n GLY 62 Ca -0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1d9a n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d9a n LEU 63 N 0.03 0.31 -4.28 0.99 4.77 -0.63 -5.06 117.00 113.13 1d9a n LEU 63 Ca 0.09 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.57 1d9a n LEU 63 Cb 0.18 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1d9a n LEU 63 CO 0.06 -0.18 0.21 -3.20 -1.33 0.00 0.00 177.39 172.96 1d9a n ASN 64 N -2.39 -0.74 0.00 -1.43 5.15 -0.82 -4.79 115.26 110.24 1d9a n ASN 64 Ca 0.00 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 1d9a n ASN 64 Cb 0.16 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.51 1d9a n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1d9a n GLY 65 N 1.74 0.19 3.84 8.20 0.00 -1.14 -4.91 105.19 113.11 1d9a n GLY 65 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1d9a n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1d9a s GLN 66 N 0.32 1.90 -0.29 1.61 -2.07 -0.49 -4.97 119.66 115.67 1d9a s GLN 66 Ca 0.00 -1.12 0.03 0.00 -1.82 0.00 0.00 55.36 52.45 1d9a s GLN 66 Cb 0.00 0.60 0.20 0.00 -1.09 0.00 0.00 33.01 32.71 1d9a s GLN 66 CO 0.00 -0.88 0.62 -1.59 -1.32 0.00 0.00 175.29 172.12 1d9a s LYS 67 N -3.27 0.54 0.81 9.60 -2.85 -1.26 -3.73 119.74 119.57 1d9a s LYS 67 Ca 0.13 0.63 -0.14 0.00 -1.00 0.00 0.00 55.97 55.59 1d9a s LYS 67 Cb -0.05 0.31 0.19 0.00 -2.06 0.00 0.00 37.83 36.22 1d9a s LYS 67 CO 0.08 -0.91 0.98 -0.35 0.10 0.00 0.00 175.35 175.25 1d9a n PRO 68 N 5.41 -1.46 -0.33 1.78 -0.04 -1.26 -4.66 135.00 134.44 1d9a n PRO 68 Ca 0.04 -1.52 0.26 0.00 -0.04 0.00 0.00 63.50 62.24 1d9a n PRO 68 Cb 0.53 -1.11 0.50 0.00 -0.04 0.00 0.00 33.50 33.38 1d9a n PRO 68 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1d9a h LEU 69 N 0.00 0.35 -3.75 1.53 6.46 -2.08 1.16 115.31 118.98 1d9a h LEU 69 Ca -0.33 0.22 -0.30 0.00 -0.12 0.00 0.00 57.88 57.36 1d9a h LEU 69 Cb 0.93 0.22 -0.12 0.00 -0.73 0.00 0.00 40.66 40.96 1d9a h LEU 69 CO 0.23 -0.27 0.23 0.61 -0.62 0.00 0.00 178.44 178.61 1d9a n GLY 70 N -1.29 3.75 3.39 3.75 0.00 -1.26 -4.93 105.19 108.59 1d9a n GLY 70 Ca 0.33 -1.14 -0.50 0.00 0.00 0.00 0.00 46.02 44.71 1d9a n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d9a n ALA 71 N 0.98 0.42 0.00 4.61 0.00 0.40 -3.63 120.51 123.29 1d9a n ALA 71 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1d9a n ALA 71 Cb 0.61 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1d9a n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d9a n ALA 72 N 9.47 0.00 -0.03 0.00 0.00 -1.26 -4.95 120.51 123.74 1d9a n ALA 72 Ca 0.56 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.80 1d9a n ALA 72 Cb 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 1d9a n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1d9a h GLU 73 N 0.00 0.14 0.00 0.00 4.22 -1.82 -3.37 114.58 113.75 1d9a h GLU 73 Ca 0.00 -0.25 -0.33 0.00 0.08 0.00 0.00 59.36 58.86 1d9a h GLU 73 Cb 0.00 0.09 0.14 0.00 0.50 0.00 0.00 28.75 29.48 1d9a h GLU 73 CO 0.00 1.12 0.31 -0.35 -2.18 0.00 0.00 179.01 177.91 1d9a n PRO 74 N -4.20 -1.10 -3.70 0.92 -0.04 -1.26 -4.65 135.00 120.97 1d9a n PRO 74 Ca -0.22 -1.58 -0.25 0.00 -0.04 0.00 0.00 63.50 61.41 1d9a n PRO 74 Cb 0.76 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 33.12 1d9a n PRO 74 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1d9a s ILE 75 N -3.21 5.20 -0.49 0.52 -4.36 -1.23 -3.98 121.20 113.65 1d9a s ILE 75 Ca 0.58 -0.58 0.07 0.00 -0.26 0.00 0.00 60.65 60.47 1d9a s ILE 75 Cb -0.02 -3.80 0.19 0.00 1.25 0.00 0.00 42.46 40.08 1d9a s ILE 75 CO 0.41 -0.32 0.70 -0.89 0.24 0.00 0.00 174.94 175.08 1d9a s THR 76 N -2.01 -0.98 -1.14 8.37 2.01 -0.81 -1.39 115.64 119.68 1d9a s THR 76 Ca 0.37 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 1d9a s THR 76 Cb -0.10 -0.02 0.09 0.00 0.01 0.00 0.00 72.50 72.48 1d9a s THR 76 CO 0.31 -0.02 1.50 0.54 -0.69 0.00 0.00 174.62 176.27 1d9a s VAL 77 N 1.14 4.31 0.11 3.82 0.11 -1.26 -2.56 120.40 126.08 1d9a s VAL 77 Ca 0.26 -1.64 0.06 0.00 -2.93 0.00 0.00 61.98 57.73 1d9a s VAL 77 Cb -0.01 -5.04 -0.04 0.00 -1.53 0.00 0.00 36.38 29.76 1d9a s VAL 77 CO -0.06 -1.85 -0.03 -0.54 -3.33 0.00 0.00 175.10 169.29 1d9a s LYS 78 N 3.76 2.39 0.23 1.54 1.02 -0.68 -4.62 119.74 123.38 1d9a s LYS 78 Ca 0.46 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 1d9a s LYS 78 Cb 0.00 -2.43 -0.15 0.00 -0.52 0.00 0.00 37.83 34.73 1d9a s LYS 78 CO -0.02 0.51 0.96 1.19 -0.92 0.00 0.00 175.35 177.08 1d9a n PHE 79 N 0.48 0.93 -2.74 3.18 3.72 -1.26 -0.76 117.46 121.00 1d9a n PHE 79 Ca -0.11 0.76 -0.43 0.00 -0.05 0.00 0.00 57.45 57.61 1d9a n PHE 79 Cb 0.53 -2.20 -0.03 0.00 -0.94 0.00 0.00 39.48 36.83 1d9a n PHE 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d9a s ALA 80 N -0.79 3.20 0.54 4.37 0.00 -1.25 -4.56 121.76 123.27 1d9a s ALA 80 Ca 0.64 -0.69 0.39 0.00 0.00 0.00 0.00 51.96 52.31 1d9a s ALA 80 Cb -0.80 -3.74 1.58 0.00 0.00 0.00 0.00 23.12 20.17 1d9a s ALA 80 CO 0.57 -2.14 1.76 -0.97 0.00 0.00 0.00 175.76 174.98 1d9a h ASN 81 N 9.14 0.01 -4.51 0.00 -0.73 -1.96 -3.47 115.58 114.07 1d9a h ASN 81 Ca -0.24 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.94 1d9a h ASN 81 Cb 1.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.66 1d9a h ASN 81 CO 1.07 -0.00 -0.99 0.59 -0.37 0.00 0.00 177.43 177.73 1d9a n ASN 82 N -4.15 -9.20 0.00 1.15 3.02 -1.26 -4.53 115.26 100.29 1d9a n ASN 82 Ca 0.29 1.48 0.04 0.00 -0.03 0.00 0.00 54.58 56.36 1d9a n ASN 82 Cb 1.40 -5.21 0.21 0.00 -0.61 0.00 0.00 39.78 35.56 1d9a n ASN 82 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1d9a n PRO 83 N 1.98 0.92 -0.31 3.52 -0.04 -1.26 -3.11 135.00 136.70 1d9a n PRO 83 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1d9a n PRO 83 Cb 0.00 -1.12 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1d9a n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1d9a n SER 84 N -0.62 0.74 -0.49 3.54 7.64 -1.26 -5.35 113.62 117.82 1d9a n SER 84 Ca 0.05 -2.21 0.14 0.00 1.01 0.00 0.00 58.87 57.87 1d9a n SER 84 Cb 0.02 -0.24 0.52 0.00 -1.01 0.00 0.00 64.21 63.51 1d9a n SER 84 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70