#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 0.14 -0.00 1.12 3.76 -1.26 -3.82 115.29 115.22 2a7y s HIS 2 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 2a7y s HIS 2 Cb 0.00 -0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.60 2a7y s HIS 2 CO 0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 174.74 173.87 2a7y s ALA 3 N -0.06 0.12 0.00 -1.40 0.00 -1.26 -4.62 121.76 114.54 2a7y s ALA 3 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2a7y s ALA 3 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2a7y s ALA 3 CO -0.00 0.02 -0.01 0.15 0.00 0.00 0.00 175.76 175.92 2a7y s LYS 4 N 0.00 0.09 0.29 0.00 1.02 -1.26 -4.61 119.74 115.27 2a7y s LYS 4 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 2a7y s LYS 4 Cb -0.01 -0.06 -0.10 0.00 -0.52 0.00 0.00 37.83 37.14 2a7y s LYS 4 CO -0.00 0.01 1.19 0.54 -0.92 0.00 0.00 175.35 176.17 2a7y s VAL 5 N -0.13 3.18 0.00 3.17 0.11 -1.26 -2.81 120.40 122.67 2a7y s VAL 5 Ca -0.01 1.18 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2a7y s VAL 5 Cb -0.01 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2a7y s VAL 5 CO -0.00 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 2a7y n GLY 6 N 1.11 0.63 2.93 6.54 0.00 0.52 -4.99 105.19 111.93 2a7y n GLY 6 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.26 0.23 0.01 1.61 1.11 -1.12 -4.90 116.67 111.34 2a7y s ASP 7 Ca 0.00 -0.21 0.02 0.00 0.18 0.00 0.00 52.55 52.54 2a7y s ASP 7 Cb 0.00 0.02 -0.01 0.00 1.07 0.00 0.00 42.92 44.00 2a7y s ASP 7 CO 0.00 -0.10 -0.06 -0.31 1.18 0.00 0.00 175.17 175.88 2a7y s TYR 8 N -0.57 0.56 -0.00 4.23 2.02 -0.87 -0.70 117.35 122.03 2a7y s TYR 8 Ca -0.05 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2a7y s TYR 8 Cb -0.04 -0.35 -0.00 0.00 -0.40 0.00 0.00 41.96 41.16 2a7y s TYR 8 CO -0.00 -0.03 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.74 2a7y s LEU 9 N -0.51 2.01 0.00 -1.29 0.20 -0.94 -0.17 118.68 117.97 2a7y s LEU 9 Ca -0.01 -0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.73 2a7y s LEU 9 Cb -0.04 -0.22 -0.00 0.00 -0.43 0.00 0.00 46.19 45.50 2a7y s LEU 9 CO -0.00 0.05 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.40 2a7y s VAL 10 N -0.13 0.12 -0.00 1.68 1.01 -0.99 -2.23 120.40 119.87 2a7y s VAL 10 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2a7y s VAL 10 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.24 2a7y s VAL 10 CO -0.00 -0.00 -0.02 -0.69 0.00 0.00 0.00 175.10 174.38 2a7y s VAL 11 N -0.14 0.16 -1.66 2.92 1.01 0.55 -0.33 120.40 122.92 2a7y s VAL 11 Ca -0.01 -0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.02 2a7y s VAL 11 Cb -0.01 -0.15 0.23 0.00 0.00 0.00 0.00 36.38 36.45 2a7y s VAL 11 CO -0.00 0.04 1.11 0.29 0.00 0.00 0.00 175.10 176.54 2a7y n LYS 12 N 3.01 1.74 -0.96 2.72 5.02 -1.16 -1.61 118.16 126.91 2a7y n LYS 12 Ca -0.12 -1.71 -0.13 0.00 -2.02 0.00 0.00 58.31 54.32 2a7y n LYS 12 Cb 0.59 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a7y n GLY 13 N 0.86 3.39 0.00 0.72 0.00 -1.24 -4.30 105.19 104.63 2a7y n GLY 13 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2a7y n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a7y n THR 14 N 1.47 0.00 0.00 2.61 -2.24 -1.26 -4.85 114.28 110.01 2a7y n THR 14 Ca 0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2a7y n THR 14 Cb 0.67 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2a7y n THR 14 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2a7y n THR 15 N -0.96 0.00 -1.36 4.28 -1.04 -1.26 -5.01 114.28 108.92 2a7y n THR 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a7y n THR 15 Cb 0.00 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 2a7y n THR 15 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2a7y n THR 16 N -1.18 0.00 -1.97 12.58 5.66 -1.26 -5.05 114.28 123.05 2a7y n THR 16 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 2a7y n THR 16 Cb 0.00 0.88 -0.03 0.00 -1.55 0.00 0.00 70.33 69.63 2a7y n THR 16 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2a7y s GLU 17 N 0.00 2.96 0.11 1.09 8.01 -1.26 -4.82 118.70 124.78 2a7y s GLU 17 Ca 0.00 1.12 0.18 0.00 0.01 0.00 0.00 54.97 56.28 2a7y s GLU 17 Cb 0.00 -4.30 0.75 0.00 -4.31 0.00 0.00 34.13 26.27 2a7y s GLU 17 CO 0.00 -2.31 1.55 -2.13 0.01 0.00 0.00 175.26 172.38 2a7y n ARG 18 N 8.77 0.08 -3.20 1.61 0.63 -1.26 -3.13 116.66 120.16 2a7y n ARG 18 Ca 0.23 0.34 -0.23 0.00 -0.92 0.00 0.00 57.85 57.27 2a7y n ARG 18 Cb 0.49 -1.66 -0.06 0.00 0.45 0.00 0.00 32.46 31.69 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 -1.81 0.68 -3.59 -0.14 8.25 -1.26 -4.69 115.22 112.66 2a7y n HIS 19 Ca 0.03 -3.76 -0.24 0.00 -0.26 0.00 0.00 57.72 53.49 2a7y n HIS 19 Cb 0.18 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 30.90 2a7y n HIS 19 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2a7y s ASP 20 N -1.95 4.78 0.00 0.41 -1.08 -0.63 -4.45 116.67 113.74 2a7y s ASP 20 Ca 0.38 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 2a7y s ASP 20 Cb 0.24 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 42.13 2a7y s ASP 20 CO -0.09 -1.22 0.00 0.00 0.52 0.00 0.00 175.17 174.38 2a7y n GLN 21 N -1.95 -0.44 -3.96 4.34 6.02 -1.21 -0.33 117.38 119.84 2a7y n GLN 21 Ca 0.04 0.84 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 2a7y n GLN 21 Cb 0.63 -0.93 -0.14 0.00 1.02 0.00 0.00 30.24 30.82 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 -0.80 0.17 0.27 1.08 2.46 -1.23 -2.83 115.29 114.42 2a7y s HIS 22 Ca 0.00 -0.02 0.06 0.00 0.47 0.00 0.00 55.06 55.57 2a7y s HIS 22 Cb 0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 32.58 32.30 2a7y s HIS 22 CO 0.00 -0.01 0.24 0.00 -2.47 0.00 0.00 174.74 172.49 2a7y n ALA 23 N 3.15 0.54 -3.73 1.58 0.00 -0.95 -3.20 120.51 117.90 2a7y n ALA 23 Ca -0.14 -1.56 -0.21 0.00 0.00 0.00 0.00 53.44 51.53 2a7y n ALA 23 Cb 0.58 1.27 -0.17 0.00 0.00 0.00 0.00 19.45 21.13 2a7y n ALA 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a7y s GLU 24 N -3.07 0.44 -0.53 0.00 2.12 -0.87 -2.22 118.70 114.55 2a7y s GLU 24 Ca 0.32 0.14 -0.28 0.00 0.36 0.00 0.00 54.97 55.52 2a7y s GLU 24 Cb 0.01 -0.79 0.03 0.00 0.26 0.00 0.00 34.13 33.64 2a7y s GLU 24 CO 0.23 -0.27 1.11 0.42 -0.54 0.00 0.00 175.26 176.21 2a7y s ILE 25 N 1.79 4.18 -0.53 -3.70 1.01 0.12 -2.29 121.20 121.78 2a7y s ILE 25 Ca 0.02 0.89 0.19 0.00 0.00 0.00 0.00 60.65 61.74 2a7y s ILE 25 Cb -0.13 -4.63 -0.24 0.00 0.01 0.00 0.00 42.46 37.47 2a7y s ILE 25 CO -0.04 -1.16 0.64 2.30 0.00 0.00 0.00 174.94 176.69 2a7y n ILE 26 N 6.63 0.00 -4.00 2.92 -0.00 -1.24 -0.36 119.36 123.31 2a7y n ILE 26 Ca 0.08 -0.22 -0.10 0.00 -0.00 0.00 0.00 62.75 62.52 2a7y n ILE 26 Cb 0.49 0.61 -0.11 0.00 -0.00 0.00 0.00 39.64 40.63 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 -3.00 0.37 -0.29 6.28 0.41 -0.63 -4.90 118.70 116.94 2a7y s GLU 27 Ca 0.01 -0.67 -0.03 0.00 -0.41 0.00 0.00 54.97 53.87 2a7y s GLU 27 Cb 0.13 0.01 0.10 0.00 -1.78 0.00 0.00 34.13 32.60 2a7y s GLU 27 CO 0.78 -0.03 0.12 0.08 -0.49 0.00 0.00 175.26 175.72 2a7y s VAL 28 N -1.53 0.18 -0.05 2.63 1.01 -1.26 -2.55 120.40 118.83 2a7y s VAL 28 Ca -0.14 -0.93 0.13 0.00 0.00 0.00 0.00 61.98 61.05 2a7y s VAL 28 Cb -0.09 -1.16 -0.21 0.00 0.00 0.00 0.00 36.38 34.92 2a7y s VAL 28 CO -0.01 -0.71 0.76 -0.09 0.00 0.00 0.00 175.10 175.04 2a7y h ARG 29 N 8.32 0.00 0.00 2.72 9.65 -1.87 -3.42 114.38 129.78 2a7y h ARG 29 Ca -0.18 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2a7y h ARG 29 Cb 1.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2a7y h ARG 29 CO 0.45 0.49 0.00 -1.13 2.80 0.00 0.00 179.97 182.58 2a7y n SER 30 N -3.04 0.00 0.02 -3.80 3.41 -0.91 -4.85 113.62 104.46 2a7y n SER 30 Ca -0.14 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2a7y n SER 30 Cb 1.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 2a7y n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a7y n ALA 31 N -2.38 0.00 -3.27 7.33 0.00 -1.26 -5.00 120.51 115.93 2a7y n ALA 31 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2a7y n ALA 31 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2a7y n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a7y s ASP 32 N -1.60 0.35 0.01 0.00 2.15 -1.26 -4.96 116.67 111.36 2a7y s ASP 32 Ca 0.00 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.40 2a7y s ASP 32 Cb 0.00 0.90 0.00 0.00 -0.30 0.00 0.00 42.92 43.52 2a7y s ASP 32 CO 0.00 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2a7y n GLY 33 N 4.00 -1.76 0.82 2.66 0.00 -1.25 -4.55 105.19 105.10 2a7y n GLY 33 Ca 0.14 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.72 2a7y n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a7y n SER 34 N -2.11 -4.41 -4.78 1.61 7.64 -1.26 -4.82 113.62 105.48 2a7y n SER 34 Ca -0.00 0.88 -0.30 0.00 1.01 0.00 0.00 58.87 60.46 2a7y n SER 34 Cb 0.01 -2.61 0.10 0.00 -1.01 0.00 0.00 64.21 60.71 2a7y n SER 34 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2a7y s PRO 35 N -4.07 1.95 0.57 1.43 0.02 -1.26 -4.61 135.00 129.03 2a7y s PRO 35 Ca 0.00 0.77 0.02 0.00 0.02 0.00 0.00 61.00 61.81 2a7y s PRO 35 Cb 0.00 -1.89 0.11 0.00 0.02 0.00 0.00 34.50 32.74 2a7y s PRO 35 CO 0.00 -1.74 0.78 -0.35 -0.33 0.00 0.00 177.00 175.35 2a7y n PRO 36 N -3.54 0.20 -4.27 5.54 -0.05 -1.26 -4.61 135.00 127.02 2a7y n PRO 36 Ca 0.07 -2.34 -0.16 0.00 -0.05 0.00 0.00 63.50 61.02 2a7y n PRO 36 Cb 0.55 -0.45 -0.09 0.00 -0.05 0.00 0.00 33.50 33.46 2a7y n PRO 36 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 2a7y s TYR 37 N -2.36 1.48 -0.12 0.54 2.02 -0.98 -2.14 117.35 115.79 2a7y s TYR 37 Ca 0.53 -1.47 -0.03 0.00 -0.37 0.00 0.00 57.07 55.73 2a7y s TYR 37 Cb -0.03 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2a7y s TYR 37 CO 0.35 -0.68 0.05 0.08 -1.57 0.00 0.00 175.55 173.78 2a7y s VAL 38 N -3.77 0.12 0.28 0.71 1.01 -1.06 -2.11 120.40 115.59 2a7y s VAL 38 Ca 0.39 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2a7y s VAL 38 Cb 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2a7y s VAL 38 CO 0.19 -0.04 0.20 0.54 0.00 0.00 0.00 175.10 175.99 2a7y s VAL 39 N 2.06 0.07 -0.01 2.92 0.11 0.39 -1.60 120.40 124.34 2a7y s VAL 39 Ca 0.03 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 2a7y s VAL 39 Cb -0.14 -2.50 0.01 0.00 -1.53 0.00 0.00 36.38 32.22 2a7y s VAL 39 CO -0.07 0.00 -0.00 -0.13 -3.33 0.00 0.00 175.10 171.57 2a7y s ARG 40 N -3.76 0.17 -1.27 1.54 0.52 -0.97 -0.34 118.95 114.85 2a7y s ARG 40 Ca 0.39 0.02 -0.18 0.00 -0.52 0.00 0.00 55.73 55.44 2a7y s ARG 40 Cb 0.04 -0.28 0.07 0.00 0.52 0.00 0.00 34.95 35.30 2a7y s ARG 40 CO 0.20 -0.05 1.71 -1.58 0.02 0.00 0.00 175.30 175.60 2a7y s TRP 41 N 0.49 2.76 0.01 -0.53 0.23 -0.28 -2.06 118.94 119.57 2a7y s TRP 41 Ca -0.05 -1.55 -0.08 0.00 -2.03 0.00 0.00 56.10 52.39 2a7y s TRP 41 Cb -0.07 -4.75 -0.05 0.00 0.03 0.00 0.00 33.47 28.63 2a7y s TRP 41 CO -0.01 -1.82 1.13 -0.07 0.96 0.00 0.00 176.95 177.14 2a7y h LEU 42 N 12.56 -0.26 -1.88 2.99 3.38 -1.92 0.71 115.31 130.90 2a7y h LEU 42 Ca 0.42 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2a7y h LEU 42 Cb 0.88 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2a7y h LEU 42 CO 1.45 -0.18 0.08 -0.37 0.09 0.00 0.00 178.44 179.51 2a7y h VAL 43 N -0.30 1.03 0.69 1.22 -1.51 -1.94 -1.21 116.25 114.23 2a7y h VAL 43 Ca -0.03 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.35 2a7y h VAL 43 Cb 0.23 0.85 0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2a7y h VAL 43 CO 0.05 0.03 -0.33 0.78 -1.23 0.00 0.00 177.57 176.87 2a7y h ASN 44 N 0.16 -0.79 0.00 4.19 -0.26 -1.80 -3.49 115.58 113.59 2a7y h ASN 44 Ca 0.05 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2a7y h ASN 44 Cb -0.01 0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2a7y h ASN 44 CO -0.01 -0.55 0.00 0.61 -1.06 0.00 0.00 177.43 176.42 2a7y n GLY 45 N -1.38 0.80 3.15 2.83 0.00 0.24 -5.11 105.19 105.72 2a7y n GLY 45 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.09 0.83 -0.05 1.61 5.04 -0.82 -5.01 115.29 115.80 2a7y s HIS 46 Ca 0.00 -1.17 -0.01 0.00 -1.54 0.00 0.00 55.06 52.34 2a7y s HIS 46 Cb 0.00 -0.49 0.03 0.00 0.04 0.00 0.00 32.58 32.16 2a7y s HIS 46 CO 0.00 -0.45 0.03 -2.00 -2.34 0.00 0.00 174.74 169.98 2a7y s GLU 47 N -4.00 0.17 0.31 2.88 2.12 -1.26 -1.12 118.70 117.79 2a7y s GLU 47 Ca 0.20 0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.85 2a7y s GLU 47 Cb 0.07 -0.62 -0.03 0.00 0.26 0.00 0.00 34.13 33.82 2a7y s GLU 47 CO -0.01 -0.28 0.26 -2.37 -0.54 0.00 0.00 175.26 172.32 2a7y n THR 48 N 5.02 0.00 -3.66 -1.70 5.66 0.54 -4.99 114.28 115.15 2a7y n THR 48 Ca -0.09 -2.25 -0.26 0.00 -3.05 0.00 0.00 64.05 58.40 2a7y n THR 48 Cb 0.50 1.11 -0.17 0.00 -1.55 0.00 0.00 70.33 70.23 2a7y n THR 48 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a7y s THR 49 N -3.24 0.12 0.34 1.09 2.01 -1.26 -0.46 115.64 114.24 2a7y s THR 49 Ca 0.36 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2a7y s THR 49 Cb 0.02 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2a7y s THR 49 CO 0.26 -0.23 0.26 1.33 -0.69 0.00 0.00 174.62 175.55 2a7y n VAL 50 N 5.20 0.00 -3.79 3.82 0.24 -0.90 -4.95 118.33 117.96 2a7y n VAL 50 Ca -0.07 -2.43 -0.18 0.00 -2.04 0.00 0.00 64.34 59.61 2a7y n VAL 50 Cb 0.48 1.17 -0.17 0.00 -1.47 0.00 0.00 33.84 33.86 2a7y n VAL 50 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2a7y s TYR 51 N -3.32 0.20 0.00 6.34 2.02 -1.26 -2.33 117.35 119.00 2a7y s TYR 51 Ca 0.37 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 2a7y s TYR 51 Cb 0.02 -0.43 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 2a7y s TYR 51 CO 0.26 -0.16 0.16 -0.35 -1.57 0.00 0.00 175.55 173.89 2a7y n PRO 52 N 4.63 0.00 0.00 -1.71 -0.04 -1.26 -5.02 135.00 131.60 2a7y n PRO 52 Ca -0.17 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2a7y n PRO 52 Cb 0.50 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 1.58 0.83 3.90 0.55 0.00 -1.26 -5.05 105.19 105.74 2a7y n GLY 53 Ca 0.00 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 6.31 -0.96 1.61 0.01 -1.26 -4.10 113.70 111.30 2a7y s SER 54 Ca 0.00 0.93 -0.06 0.00 1.31 0.00 0.00 55.95 58.13 2a7y s SER 54 Cb 0.00 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2a7y s SER 54 CO 0.00 -0.53 0.83 -0.67 0.41 0.00 0.00 173.24 173.28 2a7y n ASP 55 N -2.06 -5.10 -4.74 2.44 -0.08 -1.26 -3.64 116.55 102.10 2a7y n ASP 55 Ca 0.00 -0.37 -0.40 0.00 -1.51 0.00 0.00 54.79 52.51 2a7y n ASP 55 Cb 0.55 -3.70 -0.05 0.00 2.34 0.00 0.00 41.12 40.26 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 -3.22 3.30 0.29 -1.67 0.00 -1.26 -2.96 121.76 116.24 2a7y s ALA 56 Ca 0.41 0.61 0.04 0.00 0.00 0.00 0.00 51.96 53.02 2a7y s ALA 56 Cb -0.18 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2a7y s ALA 56 CO 0.51 0.10 0.21 0.08 0.00 0.00 0.00 175.76 176.66 2a7y s VAL 57 N -0.68 0.09 -0.01 0.00 1.01 0.55 -5.00 120.40 116.36 2a7y s VAL 57 Ca 0.44 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.42 2a7y s VAL 57 Cb -0.25 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2a7y s VAL 57 CO 0.31 0.00 -0.02 -0.69 0.00 0.00 0.00 175.10 174.71 2a7y s VAL 58 N -3.67 0.16 0.35 2.92 1.01 -1.26 -2.33 120.40 117.58 2a7y s VAL 58 Ca 0.39 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.38 2a7y s VAL 58 Cb 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 2a7y s VAL 58 CO 0.21 0.06 0.27 0.68 0.00 0.00 0.00 175.10 176.32 2a7y s VAL 59 N 0.13 0.07 0.00 2.92 -7.23 0.75 -4.94 120.40 112.10 2a7y s VAL 59 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2a7y s VAL 59 Cb -0.03 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2a7y s VAL 59 CO -0.00 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.86 2a7y n THR 60 N -0.70 0.00 -0.08 5.32 5.66 -1.26 -2.04 114.28 121.18 2a7y n THR 60 Ca 0.06 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.99 2a7y n THR 60 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2a7y n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a7y h ALA 61 N 1.00 0.33 0.63 1.79 0.00 -1.97 -1.67 119.26 119.37 2a7y h ALA 61 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2a7y h ALA 61 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2a7y h ALA 61 CO 0.00 -0.32 -0.44 1.79 0.00 0.00 0.00 179.25 180.28 2a7y h THR 62 N 0.21 0.12 -0.23 0.00 1.35 -2.03 -2.32 112.91 110.01 2a7y h THR 62 Ca 0.14 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.06 2a7y h THR 62 Cb 0.13 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.66 2a7y h THR 62 CO -0.16 0.00 0.19 -0.33 -0.25 0.00 0.00 175.52 174.97 2a7y h GLU 63 N -1.02 0.00 -0.79 4.72 4.39 -1.94 -2.44 114.58 117.49 2a7y h GLU 63 Ca -0.08 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.68 2a7y h GLU 63 Cb 0.84 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2a7y h GLU 63 CO 0.05 0.00 0.48 1.25 -1.16 0.00 0.00 179.01 179.62 2a7y h HIS 64 N 0.00 0.88 0.00 4.33 -0.00 -0.72 -2.88 115.15 116.76 2a7y h HIS 64 Ca 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2a7y h HIS 64 Cb 0.50 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2a7y h HIS 64 CO 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 177.93 178.37 2a7y n ALA 65 N -2.35 -0.18 0.05 5.26 0.00 -0.92 -0.34 120.51 122.04 2a7y n ALA 65 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 2a7y n ALA 65 Cb 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.18 -0.16 0.00 4.11 -1.77 -2.74 114.58 113.85 2a7y h GLU 66 Ca 0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.47 2a7y h GLU 66 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2a7y h GLU 66 CO 0.00 -0.12 -0.02 0.00 0.07 0.00 0.00 179.01 178.94 2a7y h ALA 67 N 0.78 0.12 -0.71 1.06 0.00 -1.59 -2.32 119.26 116.60 2a7y h ALA 67 Ca 0.04 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2a7y h ALA 67 Cb 0.24 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2a7y h ALA 67 CO -0.11 -0.47 0.46 1.49 0.00 0.00 0.00 179.25 180.63 2a7y h GLU 68 N 0.02 0.65 0.00 0.00 4.81 -0.47 0.23 114.58 119.82 2a7y h GLU 68 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2a7y h GLU 68 Cb 0.11 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2a7y h GLU 68 CO -0.15 0.43 0.00 1.63 -0.73 0.00 0.00 179.01 180.19 2a7y n LYS 69 N -4.48 0.00 0.37 1.92 5.02 -0.90 -1.80 118.16 118.30 2a7y n LYS 69 Ca 0.11 0.35 -0.18 0.00 -2.02 0.00 0.00 58.31 56.57 2a7y n LYS 69 Cb 0.28 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 2a7y n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a7y h ARG 70 N 0.00 -1.04 -0.05 1.97 -0.00 -1.23 -2.85 114.38 111.19 2a7y h ARG 70 Ca 0.00 0.07 0.02 0.00 -0.50 0.00 0.00 59.98 59.57 2a7y h ARG 70 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 2a7y h ARG 70 CO 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 179.97 179.19 2a7y h ALA 71 N -1.18 -0.06 -0.72 0.04 0.00 -0.71 -2.44 119.26 114.18 2a7y h ALA 71 Ca -0.09 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2a7y h ALA 71 Cb 0.88 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2a7y h ALA 71 CO 0.06 -0.57 0.48 0.00 0.00 0.00 0.00 179.25 179.22 2a7y h ALA 72 N 0.89 1.73 -0.26 0.00 0.00 -1.32 0.21 119.26 120.51 2a7y h ALA 72 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2a7y h ALA 72 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2a7y h ALA 72 CO -0.13 0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.32 2a7y h ALA 73 N 1.61 0.27 0.31 0.00 0.00 -1.20 -3.01 119.26 117.24 2a7y h ALA 73 Ca 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2a7y h ALA 73 Cb 0.30 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2a7y h ALA 73 CO -0.11 -0.37 -0.20 -0.09 0.00 0.00 0.00 179.25 178.48 2a7y h ARG 74 N 0.14 -0.47 -1.00 0.00 9.65 -0.69 -3.11 114.38 118.91 2a7y h ARG 74 Ca 0.12 0.03 0.23 0.00 -1.10 0.00 0.00 59.98 59.26 2a7y h ARG 74 Cb 0.13 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 28.72 2a7y h ARG 74 CO -0.16 -0.31 0.63 0.00 2.80 0.00 0.00 179.97 182.93 2a7y h ALA 75 N -1.58 2.06 -0.22 2.80 0.00 -0.67 -1.47 119.26 120.17 2a7y h ALA 75 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2a7y h ALA 75 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2a7y h ALA 75 CO 0.04 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2a7y n GLY 76 N -1.44 3.59 0.14 0.00 0.00 -1.14 -4.53 105.19 101.80 2a7y n GLY 76 Ca 0.23 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.29 0.01 -3.29 1.61 -0.00 -0.56 -4.78 115.22 107.92 2a7y n HIS 77 Ca 0.14 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.41 2a7y n HIS 77 Cb 0.62 -1.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.59 2a7y n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2a7y s ALA 78 N -2.51 4.33 -1.17 1.57 0.00 -1.20 -4.95 121.76 117.84 2a7y s ALA 78 Ca -0.38 -3.53 -0.10 0.00 0.00 0.00 0.00 51.96 47.96 2a7y s ALA 78 Cb 0.13 -3.60 0.23 0.00 0.00 0.00 0.00 23.12 19.88 2a7y s ALA 78 CO 0.52 -2.31 1.40 0.00 0.00 0.00 0.00 175.76 175.37 2a7y n ALA 79 N 3.64 4.45 -1.73 0.00 0.00 -1.26 -5.00 120.51 120.62 2a7y n ALA 79 Ca 0.20 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 49.13 2a7y n ALA 79 Cb 0.43 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2a7y n ALA 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91