#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 0.43 -0.23 1.12 -3.43 -1.26 -4.86 115.29 107.06 2a7y s HIS 2 Ca 0.00 -0.68 -0.04 0.00 -0.80 0.00 0.00 55.06 53.54 2a7y s HIS 2 Cb 0.00 -0.30 0.08 0.00 -1.43 0.00 0.00 32.58 30.93 2a7y s HIS 2 CO 0.00 -0.21 0.10 0.00 -2.00 0.00 0.00 174.74 172.63 2a7y s ALA 3 N -2.18 0.64 0.14 -1.38 0.00 -1.25 -4.55 121.76 113.17 2a7y s ALA 3 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2a7y s ALA 3 Cb -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2a7y s ALA 3 CO -0.03 -1.41 0.05 0.15 0.00 0.00 0.00 175.76 174.52 2a7y s LYS 4 N 2.06 0.96 0.57 0.00 1.02 -1.26 -4.08 119.74 119.00 2a7y s LYS 4 Ca 0.05 -1.46 -0.18 0.00 0.02 0.00 0.00 55.97 54.40 2a7y s LYS 4 Cb -0.16 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 2a7y s LYS 4 CO -0.22 -0.24 1.11 0.54 -0.92 0.00 0.00 175.35 175.62 2a7y s VAL 5 N -3.98 3.33 0.00 3.17 0.11 -1.25 -3.47 120.40 118.30 2a7y s VAL 5 Ca 0.24 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.05 2a7y s VAL 5 Cb 0.07 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2a7y s VAL 5 CO 0.02 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2a7y n GLY 6 N -0.16 0.72 3.02 6.54 0.00 -1.01 -5.01 105.19 109.29 2a7y n GLY 6 Ca 0.11 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2a7y n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a7y n ASP 7 N 0.45 -0.39 -4.01 1.61 8.00 -1.23 -4.98 116.55 116.00 2a7y n ASP 7 Ca 0.00 -3.05 -0.17 0.00 0.71 0.00 0.00 54.79 52.29 2a7y n ASP 7 Cb 0.00 1.48 -0.09 0.00 -0.02 0.00 0.00 41.12 42.49 2a7y n ASP 7 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2a7y s TYR 8 N -3.23 1.48 -0.01 1.24 2.02 -0.57 -0.70 117.35 117.59 2a7y s TYR 8 Ca 0.35 -1.39 0.01 0.00 -0.37 0.00 0.00 57.07 55.66 2a7y s TYR 8 Cb 0.02 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 2a7y s TYR 8 CO 0.25 -0.58 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.46 2a7y s LEU 9 N -3.30 1.69 0.01 -1.29 0.20 0.43 -1.84 118.68 114.58 2a7y s LEU 9 Ca 0.38 -0.03 0.00 0.00 0.69 0.00 0.00 54.13 55.17 2a7y s LEU 9 Cb 0.06 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.68 2a7y s LEU 9 CO 0.17 -0.02 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.49 2a7y s VAL 10 N 0.34 0.14 -0.09 1.68 1.01 -0.40 -2.31 120.40 120.78 2a7y s VAL 10 Ca -0.03 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2a7y s VAL 10 Cb -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2a7y s VAL 10 CO -0.01 -0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.05 2a7y s VAL 11 N -0.53 1.75 -0.89 2.92 1.01 0.62 -0.37 120.40 124.91 2a7y s VAL 11 Ca -0.05 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2a7y s VAL 11 Cb -0.04 -1.53 0.09 0.00 0.00 0.00 0.00 36.38 34.90 2a7y s VAL 11 CO -0.00 0.49 1.19 -0.54 0.00 0.00 0.00 175.10 176.24 2a7y s LYS 12 N 0.47 3.47 0.16 2.72 1.02 -1.26 -2.19 119.74 124.12 2a7y s LYS 12 Ca -0.17 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.54 2a7y s LYS 12 Cb -0.17 -4.84 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 2a7y s LYS 12 CO 0.07 -1.93 0.00 0.41 -0.92 0.00 0.00 175.35 172.98 2a7y n GLY 13 N 5.84 -0.19 3.74 -3.33 0.00 -1.21 -4.95 105.19 105.08 2a7y n GLY 13 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2a7y n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a7y n THR 14 N -3.20 1.44 0.00 2.61 -1.04 -1.26 -4.57 114.28 108.26 2a7y n THR 14 Ca 0.00 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2a7y n THR 14 Cb 0.00 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 2a7y n THR 14 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a7y n THR 15 N 1.35 0.00 -3.67 12.58 -2.24 -1.26 -3.64 114.28 117.40 2a7y n THR 15 Ca 0.06 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 2a7y n THR 15 Cb 0.36 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 2a7y n THR 15 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2a7y s THR 16 N 0.00 -0.35 -1.54 4.28 -1.32 -1.26 -4.90 115.64 110.55 2a7y s THR 16 Ca 0.00 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 2a7y s THR 16 Cb 0.00 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 2a7y s THR 16 CO 0.00 0.05 0.00 -0.62 -2.21 0.00 0.00 174.62 171.84 2a7y n GLU 17 N 4.82 -1.63 -2.90 7.08 1.02 -1.26 -4.91 120.64 122.86 2a7y n GLU 17 Ca -0.16 1.01 -0.41 0.00 -0.02 0.00 0.00 57.16 57.58 2a7y n GLU 17 Cb 0.53 -5.43 -0.04 0.00 -0.02 0.00 0.00 31.44 26.48 2a7y n GLU 17 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2a7y s ARG 18 N -3.22 4.38 -0.98 3.49 3.52 -1.24 -4.98 118.95 119.92 2a7y s ARG 18 Ca 0.00 1.05 -0.17 0.00 -0.13 0.00 0.00 55.73 56.47 2a7y s ARG 18 Cb 0.00 -3.52 0.14 0.00 -1.56 0.00 0.00 34.95 30.02 2a7y s ARG 18 CO 0.00 -0.17 1.18 -1.01 -0.81 0.00 0.00 175.30 174.49 2a7y s HIS 19 N 1.56 3.23 0.29 5.12 3.76 -1.26 -3.36 115.29 124.63 2a7y s HIS 19 Ca 0.40 -1.58 0.02 0.00 -0.15 0.00 0.00 55.06 53.75 2a7y s HIS 19 Cb -0.18 -4.27 0.02 0.00 1.11 0.00 0.00 32.58 29.27 2a7y s HIS 19 CO 0.17 -1.45 0.15 -0.25 -0.85 0.00 0.00 174.74 172.51 2a7y n ASP 20 N 6.23 2.20 -2.99 1.40 8.00 -0.93 -4.63 116.55 125.82 2a7y n ASP 20 Ca 0.26 -2.08 -0.10 0.00 0.71 0.00 0.00 54.79 53.58 2a7y n ASP 20 Cb 0.48 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a7y n GLN 21 N -1.04 -2.30 -4.20 -1.24 3.00 0.24 -0.28 117.38 111.56 2a7y n GLN 21 Ca -0.04 1.98 -0.19 0.00 -0.01 0.00 0.00 57.00 58.74 2a7y n GLN 21 Cb 0.34 -4.11 -0.16 0.00 0.00 0.00 0.00 30.24 26.31 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2a7y s HIS 22 N -1.81 0.69 -0.06 1.08 2.46 -1.06 -3.04 115.29 113.54 2a7y s HIS 22 Ca 0.15 -0.16 -0.30 0.00 0.47 0.00 0.00 55.06 55.22 2a7y s HIS 22 Cb -0.03 -0.55 0.11 0.00 -0.13 0.00 0.00 32.58 31.98 2a7y s HIS 22 CO 0.66 -0.11 1.35 0.00 -2.47 0.00 0.00 174.74 174.16 2a7y s ALA 23 N 0.47 -2.62 -0.17 1.58 0.00 -0.98 -3.62 121.76 116.42 2a7y s ALA 23 Ca -0.06 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 2a7y s ALA 23 Cb -0.10 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 2a7y s ALA 23 CO 0.00 -1.15 0.20 -2.00 0.00 0.00 0.00 175.76 172.81 2a7y s GLU 24 N -2.04 4.13 -0.48 0.00 2.12 -0.23 -0.42 118.70 121.77 2a7y s GLU 24 Ca 0.28 -0.08 -0.24 0.00 0.36 0.00 0.00 54.97 55.29 2a7y s GLU 24 Cb 0.01 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 31.04 2a7y s GLU 24 CO -0.03 0.34 0.87 0.42 -0.54 0.00 0.00 175.26 176.33 2a7y s ILE 25 N 0.21 4.52 -0.09 -3.70 1.01 0.13 -0.29 121.20 122.99 2a7y s ILE 25 Ca 0.12 0.50 0.10 0.00 0.00 0.00 0.00 60.65 61.37 2a7y s ILE 25 Cb -0.12 -4.42 -0.14 0.00 0.01 0.00 0.00 42.46 37.79 2a7y s ILE 25 CO 0.01 -0.86 0.08 2.30 0.00 0.00 0.00 174.94 176.47 2a7y n ILE 26 N 6.26 0.58 -4.07 2.92 -0.00 -1.24 -2.40 119.36 121.41 2a7y n ILE 26 Ca 0.03 -0.41 -0.32 0.00 -0.00 0.00 0.00 62.75 62.05 2a7y n ILE 26 Cb 0.48 -0.53 -0.15 0.00 -0.00 0.00 0.00 39.64 39.44 2a7y n ILE 26 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2a7y s GLU 27 N -2.36 2.36 -0.34 6.28 2.02 -1.11 -4.77 118.70 120.77 2a7y s GLU 27 Ca -0.05 -1.23 -0.14 0.00 0.02 0.00 0.00 54.97 53.57 2a7y s GLU 27 Cb 0.04 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 2a7y s GLU 27 CO 0.44 -0.50 0.29 0.08 0.02 0.00 0.00 175.26 175.59 2a7y s VAL 28 N 1.15 5.24 0.03 2.63 1.01 -1.26 -2.29 120.40 126.91 2a7y s VAL 28 Ca -0.06 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 2a7y s VAL 28 Cb -0.19 -3.76 -0.17 0.00 0.00 0.00 0.00 36.38 32.26 2a7y s VAL 28 CO -0.07 -0.04 1.44 -0.09 0.00 0.00 0.00 175.10 176.34 2a7y h ARG 29 N 8.48 -0.25 -4.83 2.72 1.12 -1.82 -3.39 114.38 116.41 2a7y h ARG 29 Ca -0.31 0.02 -0.68 0.00 -1.11 0.00 0.00 59.98 57.90 2a7y h ARG 29 Cb 1.15 0.06 -0.35 0.00 -0.01 0.00 0.00 29.97 30.82 2a7y h ARG 29 CO 0.66 0.01 -0.76 -1.12 -3.11 0.00 0.00 179.97 175.65 2a7y s SER 30 N -5.16 4.60 0.54 -3.80 0.01 -1.23 -4.99 113.70 103.67 2a7y s SER 30 Ca -0.15 -1.31 0.36 0.00 1.31 0.00 0.00 55.95 56.17 2a7y s SER 30 Cb 0.03 -1.62 1.82 0.00 0.21 0.00 0.00 66.02 66.46 2a7y s SER 30 CO 0.62 -0.21 2.09 0.00 0.41 0.00 0.00 173.24 176.15 2a7y h ALA 31 N 7.88 1.00 -0.60 1.44 0.00 -1.83 -0.86 119.26 126.29 2a7y h ALA 31 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2a7y h ALA 31 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2a7y h ALA 31 CO 0.50 0.00 0.07 -0.44 0.00 0.00 0.00 179.25 179.38 2a7y h ASP 32 N 0.00 0.96 0.00 0.00 5.19 -1.95 -3.42 116.42 117.20 2a7y h ASP 32 Ca 0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2a7y h ASP 32 Cb 0.17 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.43 2a7y h ASP 32 CO 0.00 0.97 0.00 0.61 -3.12 0.00 0.00 179.24 177.70 2a7y n GLY 33 N -0.60 0.38 3.02 2.75 0.00 -0.34 -3.87 105.19 106.52 2a7y n GLY 33 Ca 0.04 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 0.94 0.87 1.61 0.01 -1.10 -4.68 113.70 111.35 2a7y s SER 34 Ca 0.00 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2a7y s SER 34 Cb 0.00 -0.08 0.11 0.00 0.21 0.00 0.00 66.02 66.27 2a7y s SER 34 CO 0.00 0.04 1.09 -2.84 0.41 0.00 0.00 173.24 171.94 2a7y s PRO 35 N -0.47 1.47 1.05 12.44 0.02 -1.26 -3.51 135.00 144.74 2a7y s PRO 35 Ca 0.01 0.80 -0.18 0.00 0.02 0.00 0.00 61.00 61.65 2a7y s PRO 35 Cb -0.04 -1.83 0.25 0.00 0.02 0.00 0.00 34.50 32.89 2a7y s PRO 35 CO -0.00 -2.09 1.21 -0.35 -0.33 0.00 0.00 177.00 175.44 2a7y n PRO 36 N -3.78 -1.99 -4.42 5.54 -0.04 -1.26 -4.80 135.00 124.25 2a7y n PRO 36 Ca 0.07 -1.89 -0.20 0.00 -0.04 0.00 0.00 63.50 61.44 2a7y n PRO 36 Cb 0.55 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 2a7y n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a7y s TYR 37 N -3.49 1.08 -0.51 0.54 2.02 -1.05 -3.96 117.35 111.99 2a7y s TYR 37 Ca 0.72 -0.27 -0.16 0.00 -0.37 0.00 0.00 57.07 56.99 2a7y s TYR 37 Cb -0.04 -0.67 0.09 0.00 -0.40 0.00 0.00 41.96 40.94 2a7y s TYR 37 CO 0.52 -0.00 0.49 0.08 -1.57 0.00 0.00 175.55 175.07 2a7y s VAL 38 N -0.55 5.13 -0.06 0.71 1.01 -0.97 -1.24 120.40 124.43 2a7y s VAL 38 Ca 0.03 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2a7y s VAL 38 Cb -0.06 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2a7y s VAL 38 CO 0.00 -0.74 -0.12 0.54 0.00 0.00 0.00 175.10 174.78 2a7y s VAL 39 N 1.88 3.24 -0.19 2.92 0.11 0.45 -2.76 120.40 126.05 2a7y s VAL 39 Ca 0.06 -0.65 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 2a7y s VAL 39 Cb -0.25 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 2a7y s VAL 39 CO 0.06 0.59 0.06 -0.60 -3.33 0.00 0.00 175.10 171.88 2a7y s ARG 40 N -0.63 3.94 -0.89 1.54 3.52 0.60 -1.04 118.95 125.99 2a7y s ARG 40 Ca 0.09 -0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.18 2a7y s ARG 40 Cb -0.11 -3.23 0.19 0.00 -1.56 0.00 0.00 34.95 30.23 2a7y s ARG 40 CO 0.01 0.22 0.94 -1.58 -0.81 0.00 0.00 175.30 174.09 2a7y s TRP 41 N 0.50 3.52 -0.02 5.12 0.52 -0.42 -1.07 118.94 127.10 2a7y s TRP 41 Ca 0.03 -1.79 -0.16 0.00 0.02 0.00 0.00 56.10 54.20 2a7y s TRP 41 Cb -0.13 -4.02 -0.09 0.00 -1.15 0.00 0.00 33.47 28.09 2a7y s TRP 41 CO 0.01 -1.20 0.72 -0.07 0.02 0.00 0.00 176.95 176.43 2a7y h LEU 42 N 8.82 -0.50 0.00 2.99 3.38 -1.86 0.28 115.31 128.43 2a7y h LEU 42 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2a7y h LEU 42 Cb 1.02 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2a7y h LEU 42 CO 0.91 -0.12 0.00 1.33 0.09 0.00 0.00 178.44 180.65 2a7y n VAL 43 N -4.91 0.10 -0.06 1.22 0.24 -1.26 -3.64 118.33 110.03 2a7y n VAL 43 Ca -0.07 0.03 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 2a7y n VAL 43 Cb 0.23 -0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 32.01 2a7y n VAL 43 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2a7y n ASN 44 N -1.23 1.33 0.00 -1.34 3.02 -1.17 -4.85 115.26 111.03 2a7y n ASN 44 Ca 0.14 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 2a7y n ASN 44 Cb 0.19 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2a7y n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a7y n GLY 45 N 1.59 -1.79 4.02 7.41 0.00 0.99 -5.11 105.19 112.30 2a7y n GLY 45 Ca -0.07 0.58 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 2a7y n GLY 45 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a7y s HIS 46 N 0.00 1.76 0.16 1.61 3.76 -1.24 -4.76 115.29 116.57 2a7y s HIS 46 Ca 0.00 -0.59 0.11 0.00 -0.15 0.00 0.00 55.06 54.43 2a7y s HIS 46 Cb 0.00 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2a7y s HIS 46 CO 0.00 -1.06 -0.26 -1.83 -0.85 0.00 0.00 174.74 170.75 2a7y s GLU 47 N -4.66 1.46 0.21 1.40 -1.05 -1.26 -1.30 118.70 113.50 2a7y s GLU 47 Ca 0.61 -1.44 -0.21 0.00 -0.15 0.00 0.00 54.97 53.78 2a7y s GLU 47 Cb -0.07 -1.87 0.07 0.00 -0.44 0.00 0.00 34.13 31.83 2a7y s GLU 47 CO 0.38 0.42 1.00 -0.08 0.95 0.00 0.00 175.26 177.94 2a7y s THR 48 N -1.36 0.00 -0.30 1.83 -1.32 -0.21 -4.96 115.64 109.32 2a7y s THR 48 Ca 0.17 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.88 2a7y s THR 48 Cb -0.09 -2.84 -0.04 0.00 -1.51 0.00 0.00 72.50 68.03 2a7y s THR 48 CO 0.08 0.00 0.25 -0.89 -2.21 0.00 0.00 174.62 171.85 2a7y s THR 49 N -2.25 5.26 0.07 5.08 2.01 -1.26 -0.41 115.64 124.13 2a7y s THR 49 Ca 0.20 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.46 2a7y s THR 49 Cb -0.03 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2a7y s THR 49 CO 0.06 0.14 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.20 2a7y s VAL 50 N 1.84 2.01 -0.43 3.82 1.01 -0.38 -4.96 120.40 123.31 2a7y s VAL 50 Ca 0.09 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 2a7y s VAL 50 Cb -0.16 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.58 2a7y s VAL 50 CO 0.11 0.23 0.26 -0.31 0.00 0.00 0.00 175.10 175.40 2a7y s TYR 51 N -0.88 3.46 -0.93 5.22 1.51 -1.26 -2.52 117.35 121.95 2a7y s TYR 51 Ca 0.11 -2.00 0.23 0.00 -1.01 0.00 0.00 57.07 54.39 2a7y s TYR 51 Cb -0.10 -3.24 0.94 0.00 -0.11 0.00 0.00 41.96 39.45 2a7y s TYR 51 CO 0.03 -0.95 1.72 -0.35 -1.11 0.00 0.00 175.55 174.89 2a7y n PRO 52 N 4.78 0.04 0.00 -1.71 -0.04 -1.26 -4.88 135.00 131.94 2a7y n PRO 52 Ca -0.06 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2a7y n PRO 52 Cb 0.41 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2a7y n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a7y n GLY 53 N 0.78 1.20 3.64 0.55 0.00 -1.26 -4.91 105.19 105.19 2a7y n GLY 53 Ca 0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 2a7y n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a7y s SER 54 N -4.00 -0.04 -1.20 1.61 0.01 -1.26 -4.93 113.70 103.90 2a7y s SER 54 Ca 0.00 -0.93 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 2a7y s SER 54 Cb 0.00 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2a7y s SER 54 CO 0.00 -1.22 1.04 0.47 0.41 0.00 0.00 173.24 173.94 2a7y n ASP 55 N -0.53 -5.51 -4.62 2.44 8.00 -1.26 -4.68 116.55 110.39 2a7y n ASP 55 Ca -0.02 -0.49 -0.43 0.00 0.71 0.00 0.00 54.79 54.56 2a7y n ASP 55 Cb 0.61 -4.55 -0.02 0.00 -0.02 0.00 0.00 41.12 37.14 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a7y s ALA 56 N -3.29 3.28 0.12 2.24 0.00 -1.26 -4.06 121.76 118.80 2a7y s ALA 56 Ca 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2a7y s ALA 56 Cb -0.21 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 2a7y s ALA 56 CO 0.65 -1.95 0.29 0.08 0.00 0.00 0.00 175.76 174.82 2a7y s VAL 57 N 4.35 5.31 -0.36 0.00 1.01 0.50 -4.75 120.40 126.45 2a7y s VAL 57 Ca 0.51 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2a7y s VAL 57 Cb -0.11 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2a7y s VAL 57 CO 0.25 -0.01 0.25 0.68 0.00 0.00 0.00 175.10 176.28 2a7y s VAL 58 N -1.67 5.17 0.41 2.92 -7.23 -1.26 -1.27 120.40 117.47 2a7y s VAL 58 Ca 0.36 -0.42 0.08 0.00 -1.81 0.00 0.00 61.98 60.18 2a7y s VAL 58 Cb -0.12 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 33.08 2a7y s VAL 58 CO 0.28 -0.12 0.49 0.68 -0.31 0.00 0.00 175.10 176.12 2a7y s VAL 59 N 1.69 3.04 0.00 1.32 -7.23 -0.77 -4.88 120.40 113.57 2a7y s VAL 59 Ca 0.05 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2a7y s VAL 59 Cb -0.18 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2a7y s VAL 59 CO 0.10 -0.03 0.00 0.35 -0.31 0.00 0.00 175.10 175.21 2a7y n THR 60 N -1.72 0.00 -0.18 5.32 -2.24 -1.26 -1.52 114.28 112.68 2a7y n THR 60 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2a7y n THR 60 Cb 0.60 -0.21 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.70 0.66 -0.02 6.98 0.00 -1.99 0.33 119.26 125.93 2a7y h ALA 61 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2a7y h ALA 61 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2a7y h ALA 61 CO 0.00 -0.29 -0.13 1.79 0.00 0.00 0.00 179.25 180.62 2a7y h THR 62 N 0.28 1.52 0.00 0.00 1.35 -2.02 -2.69 112.91 111.35 2a7y h THR 62 Ca 0.29 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2a7y h THR 62 Cb 0.39 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 2a7y h THR 62 CO -0.35 0.47 0.02 -0.33 -0.25 0.00 0.00 175.52 175.08 2a7y h GLU 63 N -0.52 0.00 0.01 4.72 5.08 -1.92 -2.76 114.58 119.19 2a7y h GLU 63 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2a7y h GLU 63 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2a7y h GLU 63 CO 0.03 0.00 -0.00 1.25 -1.00 0.00 0.00 179.01 179.28 2a7y h HIS 64 N 0.00 -0.01 0.00 4.33 -0.00 -0.58 -3.37 115.15 115.53 2a7y h HIS 64 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2a7y h HIS 64 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 2a7y h HIS 64 CO 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 177.93 178.70 2a7y n ALA 65 N -2.51 -0.33 -0.06 5.26 0.00 -1.04 -0.38 120.51 121.45 2a7y n ALA 65 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 2a7y n ALA 65 Cb 0.38 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 0.34 0.00 0.00 -0.00 -1.83 -2.70 114.58 110.40 2a7y h GLU 66 Ca 0.00 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.36 59.20 2a7y h GLU 66 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.71 2a7y h GLU 66 CO 0.00 0.54 -0.24 0.00 -0.00 0.00 0.00 179.01 179.31 2a7y h ALA 67 N 0.79 1.25 -0.07 1.06 0.00 -1.71 -2.83 119.26 117.74 2a7y h ALA 67 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2a7y h ALA 67 Cb 0.39 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2a7y h ALA 67 CO 0.01 0.30 -0.40 1.49 0.00 0.00 0.00 179.25 180.65 2a7y h GLU 68 N 0.00 0.40 -0.21 0.00 4.81 -0.40 0.14 114.58 119.33 2a7y h GLU 68 Ca -0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2a7y h GLU 68 Cb 0.56 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2a7y h GLU 68 CO 0.03 0.97 0.13 1.57 -0.73 0.00 0.00 179.01 180.99 2a7y h LYS 69 N -0.07 0.28 0.13 1.92 2.10 -1.37 0.13 116.57 119.69 2a7y h LYS 69 Ca -0.03 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2a7y h LYS 69 Cb 1.06 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2a7y h LYS 69 CO 0.08 0.21 -0.06 0.07 -2.00 0.00 0.00 179.45 177.75 2a7y h ARG 70 N 0.27 -0.16 0.00 0.07 0.11 -1.54 -2.76 114.38 110.37 2a7y h ARG 70 Ca 0.08 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2a7y h ARG 70 Cb -0.00 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2a7y h ARG 70 CO -0.02 0.21 0.00 0.00 0.10 0.00 0.00 179.97 180.26 2a7y h ALA 71 N 0.22 1.00 0.18 0.08 0.00 -0.70 -2.36 119.26 117.68 2a7y h ALA 71 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2a7y h ALA 71 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2a7y h ALA 71 CO 0.03 0.00 -1.38 0.00 0.00 0.00 0.00 179.25 177.90 2a7y h ALA 72 N 2.18 0.00 -0.63 0.00 0.00 -0.79 0.22 119.26 120.25 2a7y h ALA 72 Ca 0.00 -0.90 0.14 0.00 0.00 0.00 0.00 54.91 54.15 2a7y h ALA 72 Cb 0.81 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2a7y h ALA 72 CO 0.00 0.87 0.43 0.00 0.00 0.00 0.00 179.25 180.56 2a7y h ALA 73 N 0.39 2.22 0.17 0.00 0.00 -1.14 -0.86 119.26 120.03 2a7y h ALA 73 Ca -0.20 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.39 2a7y h ALA 73 Cb 2.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.83 2a7y h ALA 73 CO 0.23 -0.38 -1.46 -0.09 0.00 0.00 0.00 179.25 177.55 2a7y h ARG 74 N 0.27 0.36 -0.17 0.00 9.65 -1.36 -3.40 114.38 119.73 2a7y h ARG 74 Ca 0.30 -0.61 0.01 0.00 -1.10 0.00 0.00 59.98 58.58 2a7y h ARG 74 Cb 0.82 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 2a7y h ARG 74 CO -0.07 1.27 0.10 0.00 2.80 0.00 0.00 179.97 184.07 2a7y h ALA 75 N 0.38 0.21 -3.00 2.80 0.00 0.72 -3.41 119.26 116.96 2a7y h ALA 75 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a7y h ALA 75 Cb 2.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2a7y h ALA 75 CO 0.21 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2a7y n GLY 76 N -1.14 1.91 5.10 0.00 0.00 -0.86 -4.39 105.19 105.80 2a7y n GLY 76 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2a7y n GLY 76 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2a7y n HIS 77 N 0.00 0.00 -2.69 1.61 -0.00 -1.26 -1.95 115.22 110.93 2a7y n HIS 77 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2a7y n HIS 77 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.07 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 0.43 2.29 -2.12 1.57 0.00 -1.26 -5.07 120.51 116.36 2a7y n ALA 78 Ca 0.00 -2.13 -0.29 0.00 0.00 0.00 0.00 53.44 51.02 2a7y n ALA 78 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.38 1.83 0.00 0.00 0.00 -0.82 -5.16 121.76 116.22 2a7y s ALA 79 Ca 0.24 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2a7y s ALA 79 Cb 0.43 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2a7y s ALA 79 CO -0.03 -4.71 0.00 -2.37 0.00 0.00 0.00 175.76 168.65