#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7y s HIS 2 N 0.00 2.56 0.14 1.12 0.00 -1.26 -3.98 115.29 113.87 2a7y s HIS 2 Ca 0.00 -1.30 0.11 0.00 -3.00 0.00 0.00 55.06 50.86 2a7y s HIS 2 Cb 0.00 -1.76 -0.04 0.00 -4.00 0.00 0.00 32.58 26.78 2a7y s HIS 2 CO 0.00 -0.61 -0.26 0.00 -1.00 0.00 0.00 174.74 172.87 2a7y s ALA 3 N 0.89 2.35 0.02 -1.38 0.00 0.05 -4.87 121.76 118.83 2a7y s ALA 3 Ca -0.06 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.44 2a7y s ALA 3 Cb -0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2a7y s ALA 3 CO -0.03 0.50 -0.06 0.21 0.00 0.00 0.00 175.76 176.39 2a7y s LYS 4 N -2.15 0.42 0.02 0.00 2.20 -1.26 -4.76 119.74 114.21 2a7y s LYS 4 Ca 0.14 -0.53 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 2a7y s LYS 4 Cb -0.10 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 35.94 2a7y s LYS 4 CO 0.06 0.04 0.57 0.54 -0.36 0.00 0.00 175.35 176.21 2a7y s VAL 5 N -0.98 4.85 0.00 4.02 0.11 -1.26 -3.79 120.40 123.35 2a7y s VAL 5 Ca -0.07 1.20 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 2a7y s VAL 5 Cb -0.07 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2a7y s VAL 5 CO -0.00 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 2a7y n GLY 6 N 2.14 0.62 3.69 6.54 0.00 0.33 -5.01 105.19 113.51 2a7y n GLY 6 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2a7y n GLY 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a7y s ASP 7 N -2.77 4.04 0.28 1.61 1.11 -1.24 -4.96 116.67 114.73 2a7y s ASP 7 Ca 0.00 -1.45 0.09 0.00 0.18 0.00 0.00 52.55 51.37 2a7y s ASP 7 Cb 0.00 -0.04 -0.04 0.00 1.07 0.00 0.00 42.92 43.91 2a7y s ASP 7 CO 0.00 -0.63 0.08 -0.31 1.18 0.00 0.00 175.17 175.49 2a7y s TYR 8 N -2.77 2.80 -0.11 4.23 1.51 0.45 -0.40 117.35 123.07 2a7y s TYR 8 Ca 0.25 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.05 2a7y s TYR 8 Cb 0.06 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2a7y s TYR 8 CO 0.13 0.53 0.00 -1.17 -1.11 0.00 0.00 175.55 173.93 2a7y s LEU 9 N -3.75 3.55 0.03 -1.29 0.20 0.54 -0.38 118.68 117.58 2a7y s LEU 9 Ca 0.33 0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.26 2a7y s LEU 9 Cb -0.06 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.85 2a7y s LEU 9 CO 0.22 0.33 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.85 2a7y s VAL 10 N -0.56 0.42 0.03 1.68 1.01 0.28 -2.14 120.40 121.11 2a7y s VAL 10 Ca 0.09 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2a7y s VAL 10 Cb -0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2a7y s VAL 10 CO 0.02 -0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 173.91 2a7y s VAL 11 N -1.19 1.54 -1.28 2.92 1.01 0.54 -0.29 120.40 123.65 2a7y s VAL 11 Ca -0.09 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 2a7y s VAL 11 Cb -0.09 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2a7y s VAL 11 CO 0.00 0.22 1.85 0.29 0.00 0.00 0.00 175.10 177.46 2a7y n LYS 12 N 2.01 2.80 -2.61 2.72 5.02 -1.18 -2.35 118.16 124.57 2a7y n LYS 12 Ca -0.17 -2.98 -0.42 0.00 -2.02 0.00 0.00 58.31 52.72 2a7y n LYS 12 Cb 0.54 -3.48 -0.02 0.00 -0.02 0.00 0.00 35.03 32.04 2a7y n LYS 12 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2a7y s GLY 13 N 4.50 1.48 0.17 0.72 0.00 -1.26 -4.86 107.32 108.06 2a7y s GLY 13 Ca 0.56 -2.56 0.00 0.00 0.00 0.00 0.00 44.72 42.72 2a7y s GLY 13 CO 0.07 2.63 0.00 2.41 0.00 0.00 0.00 173.10 178.21 2a7y n THR 14 N 6.54 0.00 -2.04 0.90 -1.04 -1.26 -4.07 114.28 113.30 2a7y n THR 14 Ca 0.38 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 62.01 2a7y n THR 14 Cb 0.49 -0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.72 2a7y n THR 14 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2a7y n THR 15 N -2.63 2.84 -3.99 12.58 -1.04 -1.26 -4.91 114.28 115.87 2a7y n THR 15 Ca 0.00 -2.81 -0.35 0.00 -2.04 0.00 0.00 64.05 58.85 2a7y n THR 15 Cb 0.33 -2.32 -0.13 0.00 -1.82 0.00 0.00 70.33 66.38 2a7y n THR 15 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2a7y s THR 16 N 6.49 3.74 0.41 12.58 -4.23 -1.26 -5.09 115.64 128.28 2a7y s THR 16 Ca 0.58 -0.38 -0.25 0.00 -1.18 0.00 0.00 61.69 60.46 2a7y s THR 16 Cb 0.06 -2.70 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 2a7y s THR 16 CO 0.08 0.42 1.25 -0.70 -0.54 0.00 0.00 174.62 175.13 2a7y s GLU 17 N 1.25 3.96 0.00 3.99 -6.30 -1.26 -1.78 118.70 118.57 2a7y s GLU 17 Ca 0.03 2.03 0.00 0.00 -2.50 0.00 0.00 54.97 54.54 2a7y s GLU 17 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 34.13 31.28 2a7y s GLU 17 CO 0.00 -0.46 0.00 -2.13 0.02 0.00 0.00 175.26 172.70 2a7y n ARG 18 N 0.05 0.00 -0.52 4.30 0.63 -1.26 -4.86 116.66 115.01 2a7y n ARG 18 Ca 0.04 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.04 2a7y n ARG 18 Cb 0.45 -1.27 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 2a7y n ARG 18 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2a7y n HIS 19 N -1.71 -1.34 -4.06 -0.14 8.25 -0.73 -5.02 115.22 110.47 2a7y n HIS 19 Ca 0.00 0.71 -0.03 0.00 -0.26 0.00 0.00 57.72 58.13 2a7y n HIS 19 Cb 0.00 -1.22 -0.01 0.00 1.12 0.00 0.00 29.99 29.88 2a7y n HIS 19 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2a7y n ASP 20 N -3.14 0.90 -3.03 0.41 -0.08 -0.99 -4.86 116.55 105.76 2a7y n ASP 20 Ca -0.01 -1.27 -0.00 0.00 -1.51 0.00 0.00 54.79 51.99 2a7y n ASP 20 Cb 0.24 0.13 -0.00 0.00 2.34 0.00 0.00 41.12 43.83 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a7y n GLN 21 N -0.11 -1.42 -4.14 -0.67 6.02 -1.15 -0.34 117.38 115.57 2a7y n GLN 21 Ca -0.01 1.46 -0.15 0.00 -0.01 0.00 0.00 57.00 58.29 2a7y n GLN 21 Cb 0.08 -2.18 -0.13 0.00 1.02 0.00 0.00 30.24 29.03 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2a7y s HIS 22 N -0.96 0.69 0.15 1.08 2.46 -0.98 -1.99 115.29 115.74 2a7y s HIS 22 Ca -0.02 -0.33 -0.23 0.00 0.47 0.00 0.00 55.06 54.95 2a7y s HIS 22 Cb 0.00 -0.42 0.08 0.00 -0.13 0.00 0.00 32.58 32.11 2a7y s HIS 22 CO 0.22 -0.04 1.08 0.00 -2.47 0.00 0.00 174.74 173.54 2a7y s ALA 23 N -0.85 -1.74 -0.25 1.58 0.00 -0.91 -3.31 121.76 116.28 2a7y s ALA 23 Ca -0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 2a7y s ALA 23 Cb -0.07 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2a7y s ALA 23 CO 0.00 -1.08 0.16 -2.00 0.00 0.00 0.00 175.76 172.84 2a7y s GLU 24 N -2.06 4.00 -0.51 0.00 2.12 0.50 -0.34 118.70 122.41 2a7y s GLU 24 Ca 0.24 -0.30 -0.21 0.00 0.36 0.00 0.00 54.97 55.06 2a7y s GLU 24 Cb -0.02 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.88 2a7y s GLU 24 CO 0.05 -0.01 0.71 0.42 -0.54 0.00 0.00 175.26 175.89 2a7y s ILE 25 N 1.25 4.74 -0.24 -3.70 1.01 0.46 -0.40 121.20 124.32 2a7y s ILE 25 Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.56 2a7y s ILE 25 Cb -0.14 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 2a7y s ILE 25 CO 0.06 -0.86 0.22 2.30 0.00 0.00 0.00 174.94 176.66 2a7y n ILE 26 N 5.80 0.00 -3.60 2.92 -6.64 -1.22 -0.51 119.36 116.11 2a7y n ILE 26 Ca -0.04 -0.36 -0.27 0.00 -1.77 0.00 0.00 62.75 60.31 2a7y n ILE 26 Cb 0.46 0.97 -0.17 0.00 -1.44 0.00 0.00 39.64 39.47 2a7y n ILE 26 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2a7y s GLU 27 N -1.54 0.09 -0.21 6.28 2.02 -1.03 -4.85 118.70 119.46 2a7y s GLU 27 Ca 0.02 -0.18 -0.08 0.00 0.02 0.00 0.00 54.97 54.75 2a7y s GLU 27 Cb 0.04 -1.70 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2a7y s GLU 27 CO 0.22 -0.74 0.08 0.08 0.02 0.00 0.00 175.26 174.92 2a7y s VAL 28 N 2.13 4.77 0.16 2.63 1.01 -1.26 -2.41 120.40 127.43 2a7y s VAL 28 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2a7y s VAL 28 Cb -0.16 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 2a7y s VAL 28 CO -0.15 0.41 1.39 -0.09 0.00 0.00 0.00 175.10 176.67 2a7y h ARG 29 N 7.19 0.38 -3.20 2.72 2.43 -1.83 -3.45 114.38 118.61 2a7y h ARG 29 Ca -0.37 -0.35 -0.19 0.00 -0.81 0.00 0.00 59.98 58.26 2a7y h ARG 29 Cb 1.17 0.08 -0.27 0.00 -0.42 0.00 0.00 29.97 30.53 2a7y h ARG 29 CO 0.66 1.00 -0.50 0.45 -1.51 0.00 0.00 179.97 180.08 2a7y s SER 30 N -7.00 -0.21 0.50 -3.80 0.15 -1.26 -4.98 113.70 97.11 2a7y s SER 30 Ca -0.05 0.41 0.33 0.00 0.70 0.00 0.00 55.95 57.35 2a7y s SER 30 Cb 0.10 0.38 1.57 0.00 -1.71 0.00 0.00 66.02 66.36 2a7y s SER 30 CO 0.85 -0.10 2.00 0.00 1.20 0.00 0.00 173.24 177.19 2a7y h ALA 31 N 6.28 1.00 -0.06 5.45 0.00 -1.87 0.74 119.26 130.80 2a7y h ALA 31 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2a7y h ALA 31 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2a7y h ALA 31 CO 0.39 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.17 2a7y n ASP 32 N -2.83 1.53 -1.27 0.00 -0.08 -1.26 -0.77 116.55 111.87 2a7y n ASP 32 Ca -0.00 -1.55 0.00 0.00 -1.51 0.00 0.00 54.79 51.72 2a7y n ASP 32 Cb 0.20 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.63 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a7y n GLY 33 N 1.16 -2.46 2.68 0.27 0.00 0.25 -3.45 105.19 103.65 2a7y n GLY 33 Ca 0.18 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2a7y n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a7y s SER 34 N 0.00 1.02 0.63 1.61 0.01 -1.25 -4.95 113.70 110.77 2a7y s SER 34 Ca 0.00 0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.20 2a7y s SER 34 Cb 0.00 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 2a7y s SER 34 CO 0.00 -0.23 1.05 -2.84 0.41 0.00 0.00 173.24 171.63 2a7y s PRO 35 N 2.03 3.24 0.70 12.44 0.02 -1.26 -4.49 135.00 147.69 2a7y s PRO 35 Ca 0.03 1.05 -0.09 0.00 0.02 0.00 0.00 61.00 62.01 2a7y s PRO 35 Cb -0.12 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.41 2a7y s PRO 35 CO -0.03 -0.86 1.05 -1.25 -0.33 0.00 0.00 177.00 175.58 2a7y s PRO 36 N -4.55 2.50 0.16 5.54 0.04 -1.26 -5.10 135.00 132.32 2a7y s PRO 36 Ca 0.60 0.09 0.06 0.00 0.04 0.00 0.00 61.00 61.80 2a7y s PRO 36 Cb -0.14 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2a7y s PRO 36 CO 0.45 -1.14 0.03 0.71 0.04 0.00 0.00 177.00 177.09 2a7y s TYR 37 N -3.30 2.94 -0.37 0.56 1.51 -1.03 -4.67 117.35 112.98 2a7y s TYR 37 Ca 0.59 -0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 56.41 2a7y s TYR 37 Cb -0.11 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2a7y s TYR 37 CO 0.48 0.51 0.32 0.08 -1.11 0.00 0.00 175.55 175.83 2a7y s VAL 38 N -1.66 5.22 0.15 0.71 1.01 -1.01 -1.81 120.40 123.01 2a7y s VAL 38 Ca 0.28 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.07 2a7y s VAL 38 Cb -0.10 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2a7y s VAL 38 CO 0.20 -0.18 -0.23 0.54 0.00 0.00 0.00 175.10 175.43 2a7y s VAL 39 N 1.85 2.48 -0.06 2.92 0.11 0.51 -2.45 120.40 125.75 2a7y s VAL 39 Ca 0.08 -1.80 0.05 0.00 -2.93 0.00 0.00 61.98 57.37 2a7y s VAL 39 Cb -0.18 -2.15 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 2a7y s VAL 39 CO 0.11 0.00 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.09 2a7y s ARG 40 N -2.36 2.58 -1.14 1.54 3.52 0.47 -0.37 118.95 123.18 2a7y s ARG 40 Ca 0.18 -0.79 -0.22 0.00 -0.13 0.00 0.00 55.73 54.77 2a7y s ARG 40 Cb -0.09 -2.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.99 2a7y s ARG 40 CO 0.09 0.48 1.81 -1.58 -0.81 0.00 0.00 175.30 175.29 2a7y s TRP 41 N -0.39 2.24 0.00 5.12 0.23 0.51 -0.37 118.94 126.27 2a7y s TRP 41 Ca 0.04 -0.27 0.00 0.00 -2.03 0.00 0.00 56.10 53.84 2a7y s TRP 41 Cb -0.12 -4.32 0.00 0.00 0.03 0.00 0.00 33.47 29.06 2a7y s TRP 41 CO 0.02 -1.58 0.08 1.47 0.96 0.00 0.00 176.95 177.90 2a7y n LEU 42 N 11.87 0.00 -0.75 2.99 -0.00 -1.26 -0.48 117.00 129.37 2a7y n LEU 42 Ca 0.43 0.08 0.13 0.00 -0.00 0.00 0.00 56.01 56.65 2a7y n LEU 42 Cb 0.47 -0.02 0.30 0.00 -0.00 0.00 0.00 43.42 44.17 2a7y n LEU 42 CO 0.68 -0.02 0.74 1.33 -0.00 0.00 0.00 177.39 180.13 2a7y n VAL 43 N -1.05 0.03 -0.05 1.47 0.24 -1.26 -3.79 118.33 113.91 2a7y n VAL 43 Ca 0.00 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.34 61.69 2a7y n VAL 43 Cb 0.00 1.01 -0.13 0.00 -1.47 0.00 0.00 33.84 33.26 2a7y n VAL 43 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2a7y h ASN 44 N 3.60 0.18 -0.03 -1.34 -0.26 -1.66 -3.50 115.58 112.57 2a7y h ASN 44 Ca 0.00 -0.71 0.00 0.00 -0.56 0.00 0.00 56.30 55.03 2a7y h ASN 44 Cb 0.77 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 2a7y h ASN 44 CO 0.00 1.60 0.00 0.61 -1.06 0.00 0.00 177.43 178.58 2a7y n GLY 45 N 1.65 0.77 3.64 2.83 0.00 0.37 -5.08 105.19 109.36 2a7y n GLY 45 Ca -0.30 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 2a7y n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a7y s HIS 46 N -1.36 -0.42 -0.00 1.61 5.04 -1.25 -4.99 115.29 113.92 2a7y s HIS 46 Ca 0.00 0.96 0.06 0.00 -1.54 0.00 0.00 55.06 54.54 2a7y s HIS 46 Cb 0.00 0.37 -0.03 0.00 0.04 0.00 0.00 32.58 32.96 2a7y s HIS 46 CO 0.00 -0.20 -0.18 -1.21 -2.34 0.00 0.00 174.74 170.81 2a7y s GLU 47 N 0.45 2.24 0.35 2.88 2.02 -1.26 -0.37 118.70 125.01 2a7y s GLU 47 Ca 0.01 -0.87 -0.14 0.00 0.02 0.00 0.00 54.97 53.99 2a7y s GLU 47 Cb -0.05 -2.24 0.04 0.00 0.10 0.00 0.00 34.13 31.98 2a7y s GLU 47 CO -0.10 0.57 0.70 -0.08 0.02 0.00 0.00 175.26 176.38 2a7y s THR 48 N -0.81 0.00 -0.38 3.63 -1.32 0.50 -4.99 115.64 112.26 2a7y s THR 48 Ca 0.13 -1.12 -0.10 0.00 -1.21 0.00 0.00 61.69 59.38 2a7y s THR 48 Cb -0.10 -2.63 0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2a7y s THR 48 CO 0.03 0.00 0.21 -0.89 -2.21 0.00 0.00 174.62 171.76 2a7y s THR 49 N -2.85 4.44 0.12 5.08 2.01 -1.26 -0.37 115.64 122.81 2a7y s THR 49 Ca 0.17 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2a7y s THR 49 Cb -0.04 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2a7y s THR 49 CO 0.12 -0.30 0.08 0.68 -0.69 0.00 0.00 174.62 174.51 2a7y s VAL 50 N 1.51 4.37 -0.38 3.82 -7.23 -0.75 -4.97 120.40 116.78 2a7y s VAL 50 Ca 0.02 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2a7y s VAL 50 Cb -0.20 -3.16 0.11 0.00 0.56 0.00 0.00 36.38 33.69 2a7y s VAL 50 CO 0.05 0.02 0.14 -0.31 -0.31 0.00 0.00 175.10 174.69 2a7y s TYR 51 N -1.54 3.66 0.70 2.82 2.02 -1.26 -2.46 117.35 121.30 2a7y s TYR 51 Ca 0.29 -2.69 -0.08 0.00 -0.37 0.00 0.00 57.07 54.22 2a7y s TYR 51 Cb -0.11 -3.09 0.05 0.00 -0.40 0.00 0.00 41.96 38.40 2a7y s TYR 51 CO 0.22 -0.96 1.03 -1.25 -1.57 0.00 0.00 175.55 173.02 2a7y s PRO 52 N 1.01 2.37 0.90 -1.71 0.04 -1.26 -4.83 135.00 131.52 2a7y s PRO 52 Ca 0.10 -0.06 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 2a7y s PRO 52 Cb -0.21 -2.13 0.13 0.00 0.04 0.00 0.00 34.50 32.33 2a7y s PRO 52 CO -0.06 -1.17 1.10 0.20 0.04 0.00 0.00 177.00 177.11 2a7y s GLY 53 N -4.47 1.64 0.00 0.56 0.00 -1.26 -4.87 107.32 98.93 2a7y s GLY 53 Ca 0.59 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2a7y s GLY 53 CO 0.46 0.65 0.78 1.44 0.00 0.00 0.00 173.10 176.44 2a7y n SER 54 N -4.00 2.30 -2.91 1.64 7.64 -1.26 -3.45 113.62 113.59 2a7y n SER 54 Ca 0.08 -1.65 -0.13 0.00 1.01 0.00 0.00 58.87 58.19 2a7y n SER 54 Cb 0.54 -0.41 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 2a7y n SER 54 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2a7y n ASP 55 N 0.54 0.40 -4.74 6.43 -0.08 -1.26 -5.11 116.55 112.72 2a7y n ASP 55 Ca 0.00 -2.94 -0.40 0.00 -1.51 0.00 0.00 54.79 49.94 2a7y n ASP 55 Cb 0.39 -0.13 -0.05 0.00 2.34 0.00 0.00 41.12 43.68 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a7y s ALA 56 N -2.09 3.32 0.15 -1.67 0.00 -1.22 -3.10 121.76 117.15 2a7y s ALA 56 Ca 0.32 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.81 2a7y s ALA 56 Cb 0.38 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2a7y s ALA 56 CO -0.04 0.09 -0.12 0.08 0.00 0.00 0.00 175.76 175.77 2a7y s VAL 57 N -0.39 1.34 0.07 0.00 1.01 0.60 -4.98 120.40 118.06 2a7y s VAL 57 Ca 0.42 -1.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 2a7y s VAL 57 Cb -0.23 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2a7y s VAL 57 CO 0.28 -0.61 0.24 0.68 0.00 0.00 0.00 175.10 175.68 2a7y s VAL 58 N -2.89 5.35 0.30 2.92 -7.23 -1.26 -0.56 120.40 117.03 2a7y s VAL 58 Ca 0.16 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 2a7y s VAL 58 Cb -0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2a7y s VAL 58 CO 0.03 0.13 0.14 0.68 -0.31 0.00 0.00 175.10 175.76 2a7y s VAL 59 N -1.53 0.41 0.00 1.32 -7.23 0.48 -4.89 120.40 108.96 2a7y s VAL 59 Ca 0.36 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2a7y s VAL 59 Cb -0.13 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2a7y s VAL 59 CO 0.27 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.41 2a7y n THR 60 N -0.56 0.00 -0.28 5.32 -2.24 -1.26 -0.41 114.28 114.85 2a7y n THR 60 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a7y n THR 60 Cb 0.65 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 69.00 2a7y n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a7y h ALA 61 N 1.00 1.07 -0.16 6.98 0.00 -1.99 -1.07 119.26 125.09 2a7y h ALA 61 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2a7y h ALA 61 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2a7y h ALA 61 CO 0.00 0.20 -0.29 1.79 0.00 0.00 0.00 179.25 180.96 2a7y h THR 62 N 0.88 1.35 0.00 0.00 1.35 -2.03 -2.53 112.91 111.93 2a7y h THR 62 Ca 0.34 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2a7y h THR 62 Cb 0.16 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2a7y h THR 62 CO -0.17 0.46 0.00 -0.33 -0.25 0.00 0.00 175.52 175.23 2a7y h GLU 63 N 0.11 0.00 -0.15 4.72 4.39 -1.90 -2.97 114.58 118.78 2a7y h GLU 63 Ca 0.01 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 2a7y h GLU 63 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2a7y h GLU 63 CO 0.07 0.00 -0.45 1.12 -1.16 0.00 0.00 179.01 178.59 2a7y h HIS 64 N 0.00 0.43 0.00 4.33 2.07 -0.74 -3.31 115.15 117.94 2a7y h HIS 64 Ca 0.00 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 2a7y h HIS 64 Cb 0.20 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.08 2a7y h HIS 64 CO 0.00 0.75 0.00 0.00 -3.07 0.00 0.00 177.93 175.61 2a7y n ALA 65 N -2.48 -0.04 -0.33 6.11 0.00 -1.12 -1.53 120.51 121.11 2a7y n ALA 65 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 2a7y n ALA 65 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.08 2a7y n ALA 65 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2a7y h GLU 66 N 0.00 1.24 0.00 0.00 -0.00 -1.79 -0.82 114.58 113.21 2a7y h GLU 66 Ca 0.00 -0.12 -0.09 0.00 -0.00 0.00 0.00 59.36 59.15 2a7y h GLU 66 Cb 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 28.48 2a7y h GLU 66 CO 0.00 0.88 -0.42 0.00 -0.00 0.00 0.00 179.01 179.47 2a7y h ALA 67 N 1.33 1.19 0.51 1.06 0.00 -1.73 -2.81 119.26 118.81 2a7y h ALA 67 Ca 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2a7y h ALA 67 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2a7y h ALA 67 CO -0.06 0.52 -0.38 1.49 0.00 0.00 0.00 179.25 180.83 2a7y h GLU 68 N 0.00 -0.84 0.04 0.00 4.81 -0.07 0.43 114.58 118.95 2a7y h GLU 68 Ca -0.00 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2a7y h GLU 68 Cb 0.79 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 2a7y h GLU 68 CO 0.05 -0.56 -0.28 0.87 -0.73 0.00 0.00 179.01 178.37 2a7y h LYS 69 N -0.87 -0.36 0.34 1.92 1.79 -1.34 0.11 116.57 118.16 2a7y h LYS 69 Ca -0.06 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2a7y h LYS 69 Cb 0.73 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2a7y h LYS 69 CO 0.02 -0.24 -0.16 0.00 -1.08 0.00 0.00 179.45 177.98 2a7y h ARG 70 N -0.38 -0.44 0.00 3.15 2.47 -1.55 -2.60 114.38 115.03 2a7y h ARG 70 Ca 0.00 0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 2a7y h ARG 70 Cb 0.39 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 2a7y h ARG 70 CO -0.16 -0.13 -0.44 0.00 0.56 0.00 0.00 179.97 179.79 2a7y h ALA 71 N -0.25 0.79 0.03 0.04 0.00 -0.93 -2.48 119.26 116.47 2a7y h ALA 71 Ca -0.05 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 2a7y h ALA 71 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2a7y h ALA 71 CO 0.08 0.55 -0.98 0.00 0.00 0.00 0.00 179.25 178.90 2a7y h ALA 72 N 1.56 0.40 -0.84 0.00 0.00 -0.77 0.15 119.26 119.76 2a7y h ALA 72 Ca -0.00 -0.80 0.10 0.00 0.00 0.00 0.00 54.91 54.20 2a7y h ALA 72 Cb 1.19 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2a7y h ALA 72 CO 0.06 1.01 0.48 0.00 0.00 0.00 0.00 179.25 180.80 2a7y h ALA 73 N 0.91 1.21 0.15 0.00 0.00 -1.04 0.71 119.26 121.20 2a7y h ALA 73 Ca -0.05 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2a7y h ALA 73 Cb 1.66 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.34 2a7y h ALA 73 CO 0.15 0.10 -0.94 -0.09 0.00 0.00 0.00 179.25 178.47 2a7y h ARG 74 N 0.80 0.32 -0.04 0.00 2.43 -1.44 -3.23 114.38 113.21 2a7y h ARG 74 Ca 0.41 -0.54 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2a7y h ARG 74 Cb 0.39 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2a7y h ARG 74 CO -0.26 1.26 -0.20 0.00 -1.51 0.00 0.00 179.97 179.26 2a7y h ALA 75 N 0.08 -0.22 0.00 2.80 0.00 -0.47 -1.29 119.26 120.15 2a7y h ALA 75 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a7y h ALA 75 Cb 1.71 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2a7y h ALA 75 CO 0.16 -0.69 0.00 0.78 0.00 0.00 0.00 179.25 179.50 2a7y h GLY 76 N -0.30 0.00 1.47 0.00 0.00 -1.04 -1.43 103.07 101.77 2a7y h GLY 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2a7y h GLY 76 CO -0.22 0.00 -0.37 1.57 0.00 0.00 0.00 176.54 177.52 2a7y n HIS 77 N -2.61 0.60 0.89 5.60 -0.00 -0.65 -3.28 115.22 115.77 2a7y n HIS 77 Ca 0.02 0.17 0.09 0.00 -0.00 0.00 0.00 57.72 58.00 2a7y n HIS 77 Cb 0.27 -0.71 0.27 0.00 -0.00 0.00 0.00 29.99 29.83 2a7y n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2a7y n ALA 78 N -1.76 2.47 -1.92 1.57 0.00 -0.54 -4.87 120.51 115.46 2a7y n ALA 78 Ca 0.04 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 2a7y n ALA 78 Cb 0.42 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y s ALA 79 N -1.61 3.54 -2.96 0.00 0.00 -1.20 -4.90 121.76 114.63 2a7y s ALA 79 Ca 0.31 0.98 0.24 0.00 0.00 0.00 0.00 51.96 53.49 2a7y s ALA 79 Cb 0.16 -3.79 0.26 0.00 0.00 0.00 0.00 23.12 19.75 2a7y s ALA 79 CO 0.23 -1.55 1.30 2.41 0.00 0.00 0.00 175.76 178.15