#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 0.13 0.12 1.12 5.65 -1.26 -4.62 115.29 116.42 2a7y s HIS 2 Ca 0.00 0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.33 2a7y s HIS 2 Cb 0.00 -0.17 -0.04 0.00 -1.18 0.00 0.00 32.58 31.19 2a7y s HIS 2 CO 0.00 -0.05 0.27 0.00 -0.65 0.00 0.00 174.74 174.32 2a7y s ALA 3 N 0.43 3.95 -0.02 1.58 0.00 -1.25 -4.76 121.76 121.69 2a7y s ALA 3 Ca -0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 2a7y s ALA 3 Cb -0.06 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.23 2a7y s ALA 3 CO -0.01 0.66 0.03 0.21 0.00 0.00 0.00 175.76 176.65 2a7y s LYS 4 N -2.89 -0.03 0.26 0.00 2.36 -1.26 -4.88 119.74 113.30 2a7y s LYS 4 Ca 0.36 0.20 -0.29 0.00 -2.55 0.00 0.00 55.97 53.69 2a7y s LYS 4 Cb -0.12 -0.27 -0.09 0.00 -1.05 0.00 0.00 37.83 36.29 2a7y s LYS 4 CO 0.28 -0.18 0.93 0.54 1.55 0.00 0.00 175.35 178.47 2a7y s VAL 5 N 1.14 4.13 0.00 4.02 0.11 -1.26 -3.18 120.40 125.35 2a7y s VAL 5 Ca -0.08 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.96 2a7y s VAL 5 Cb -0.13 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.49 2a7y s VAL 5 CO -0.03 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 2a7y n GLY 6 N 1.24 0.74 3.61 6.54 0.00 0.06 -5.03 105.19 112.35 2a7y n GLY 6 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.31 3.48 0.14 1.61 1.11 -1.19 -4.95 116.67 114.54 2a7y s ASP 7 Ca 0.00 -1.49 0.05 0.00 0.18 0.00 0.00 52.55 51.29 2a7y s ASP 7 Cb 0.00 0.05 -0.04 0.00 1.07 0.00 0.00 42.92 44.00 2a7y s ASP 7 CO 0.00 -0.66 0.05 -0.31 1.18 0.00 0.00 175.17 175.43 2a7y s TYR 8 N -2.95 3.03 -0.07 4.23 2.02 0.48 -0.40 117.35 123.68 2a7y s TYR 8 Ca 0.26 -0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 56.88 2a7y s TYR 8 Cb 0.06 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 2a7y s TYR 8 CO 0.13 0.51 0.09 -1.17 -1.57 0.00 0.00 175.55 173.54 2a7y s LEU 9 N -2.76 4.04 -0.04 -1.29 0.20 0.66 -0.39 118.68 119.09 2a7y s LEU 9 Ca 0.28 0.29 -0.08 0.00 0.69 0.00 0.00 54.13 55.31 2a7y s LEU 9 Cb -0.11 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.58 2a7y s LEU 9 CO 0.20 0.36 0.20 -0.69 -0.29 0.00 0.00 176.35 176.13 2a7y s VAL 10 N -1.05 0.03 0.05 1.68 1.01 -0.85 -2.30 120.40 118.97 2a7y s VAL 10 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 2a7y s VAL 10 Cb -0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2a7y s VAL 10 CO 0.07 -0.15 0.19 0.68 0.00 0.00 0.00 175.10 175.89 2a7y s VAL 11 N -0.53 5.32 0.00 2.92 -7.23 0.54 -0.30 120.40 121.12 2a7y s VAL 11 Ca -0.06 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2a7y s VAL 11 Cb -0.04 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.33 2a7y s VAL 11 CO 0.01 0.18 0.50 1.17 -0.31 0.00 0.00 175.10 176.65 2a7y n LYS 12 N 0.44 -0.50 0.22 4.82 4.81 -1.25 -2.31 118.16 124.39 2a7y n LYS 12 Ca -0.06 -0.55 0.06 0.00 -0.87 0.00 0.00 58.31 56.89 2a7y n LYS 12 Cb 0.51 -0.95 0.51 0.00 0.02 0.00 0.00 35.03 35.13 2a7y n LYS 12 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2a7y h GLY 13 N 0.00 0.00 -7.77 3.14 0.00 -1.94 -3.33 103.07 93.17 2a7y h GLY 13 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2a7y h GLY 13 CO 0.00 0.00 2.01 -1.59 0.00 0.00 0.00 176.54 176.96 2a7y s THR 14 N -4.40 4.03 0.41 4.70 2.01 -1.26 -4.79 115.64 116.33 2a7y s THR 14 Ca -0.03 -1.72 0.19 0.00 0.31 0.00 0.00 61.69 60.44 2a7y s THR 14 Cb 0.15 -5.10 0.20 0.00 0.01 0.00 0.00 72.50 67.76 2a7y s THR 14 CO 0.68 -1.87 1.98 0.74 -0.69 0.00 0.00 174.62 175.46 2a7y h THR 15 N 5.72 0.94 0.00 -0.82 2.02 -1.96 -1.99 112.91 116.82 2a7y h THR 15 Ca 0.40 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2a7y h THR 15 Cb 0.89 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2a7y h THR 15 CO 1.42 0.20 0.00 0.00 0.37 0.00 0.00 175.52 177.51 2a7y h THR 16 N 0.00 0.00 -0.89 3.16 1.03 -1.93 -3.44 112.91 110.84 2a7y h THR 16 Ca -0.00 -0.40 -0.50 0.00 -0.01 0.00 0.00 66.41 65.50 2a7y h THR 16 Cb 0.41 1.30 0.01 0.00 -1.07 0.00 0.00 68.15 68.80 2a7y h THR 16 CO 0.03 0.00 -0.17 -1.61 -0.01 0.00 0.00 175.52 173.75 2a7y s GLU 17 N -3.54 2.39 -0.04 0.00 0.41 -0.75 -5.07 118.70 112.10 2a7y s GLU 17 Ca 0.02 -1.64 -0.01 0.00 -0.41 0.00 0.00 54.97 52.93 2a7y s GLU 17 Cb 0.09 -2.55 -0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2a7y s GLU 17 CO 0.48 -0.70 0.05 0.00 -0.49 0.00 0.00 175.26 174.61 2a7y h ARG 18 N 0.39 -0.03 -1.99 1.61 -0.00 -1.86 -3.47 114.38 109.04 2a7y h ARG 18 Ca -0.33 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.04 2a7y h ARG 18 Cb 1.29 0.01 -0.28 0.00 0.00 0.00 0.00 29.97 30.98 2a7y h ARG 18 CO 0.45 -0.02 -0.42 -3.38 0.00 0.00 0.00 179.97 176.60 2a7y s HIS 19 N -1.39 -0.90 0.48 3.04 -3.43 -1.26 -5.01 115.29 106.82 2a7y s HIS 19 Ca -0.00 1.13 0.09 0.00 -0.80 0.00 0.00 55.06 55.47 2a7y s HIS 19 Cb 0.00 0.16 0.04 0.00 -1.43 0.00 0.00 32.58 31.35 2a7y s HIS 19 CO 0.01 -0.67 0.65 0.34 -2.00 0.00 0.00 174.74 173.08 2a7y s ASP 20 N 2.60 5.43 0.00 7.38 2.15 -0.98 -4.82 116.67 128.43 2a7y s ASP 20 Ca 0.09 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2a7y s ASP 20 Cb -0.14 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 2a7y s ASP 20 CO -0.15 -0.99 0.00 0.00 -0.17 0.00 0.00 175.17 173.86 2a7y n GLN 21 N -2.00 -0.57 -4.35 4.34 6.02 -1.26 -0.34 117.38 119.23 2a7y n GLN 21 Ca 0.11 0.85 -0.18 0.00 -0.01 0.00 0.00 57.00 57.77 2a7y n GLN 21 Cb 0.60 -0.83 -0.15 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.58 0.77 0.20 1.08 2.46 -1.24 -2.91 115.29 115.07 2a7y s HIS 22 Ca 0.00 -0.15 -0.21 0.00 0.47 0.00 0.00 55.06 55.17 2a7y s HIS 22 Cb 0.00 -0.50 0.08 0.00 -0.13 0.00 0.00 32.58 32.03 2a7y s HIS 22 CO 0.00 -0.02 1.03 0.00 -2.47 0.00 0.00 174.74 173.28 2a7y n ALA 23 N 2.88 -2.66 -2.72 1.58 0.00 -0.97 -4.22 120.51 114.39 2a7y n ALA 23 Ca -0.13 -1.05 -0.36 0.00 0.00 0.00 0.00 53.44 51.90 2a7y n ALA 23 Cb 0.57 0.60 -0.08 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.05 4.21 -0.52 0.00 2.12 -0.34 -0.25 118.70 121.86 2a7y s GLU 24 Ca 0.23 -0.11 -0.21 0.00 0.36 0.00 0.00 54.97 55.24 2a7y s GLU 24 Cb -0.03 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.98 2a7y s GLU 24 CO 0.06 0.25 0.71 0.42 -0.54 0.00 0.00 175.26 176.17 2a7y s ILE 25 N 0.47 4.74 -0.12 -3.70 1.01 0.46 -0.80 121.20 123.26 2a7y s ILE 25 Ca 0.11 -0.28 0.17 0.00 0.00 0.00 0.00 60.65 60.65 2a7y s ILE 25 Cb -0.12 -4.37 -0.25 0.00 0.01 0.00 0.00 42.46 37.74 2a7y s ILE 25 CO 0.01 -0.89 0.19 2.30 0.00 0.00 0.00 174.94 176.55 2a7y n ILE 26 N 5.78 0.77 -3.90 2.92 -0.00 -1.24 -0.76 119.36 122.93 2a7y n ILE 26 Ca -0.04 -0.64 -0.27 0.00 -0.00 0.00 0.00 62.75 61.80 2a7y n ILE 26 Cb 0.46 -0.31 -0.17 0.00 -0.00 0.00 0.00 39.64 39.62 2a7y n ILE 26 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2a7y s GLU 27 N -2.76 1.50 -0.27 6.28 2.12 -1.21 -4.77 118.70 119.60 2a7y s GLU 27 Ca -0.08 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 54.88 2a7y s GLU 27 Cb 0.08 -1.59 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 2a7y s GLU 27 CO 0.75 -0.27 0.22 0.08 -0.54 0.00 0.00 175.26 175.49 2a7y s VAL 28 N 1.71 5.30 0.35 3.70 1.01 -1.26 -2.37 120.40 128.84 2a7y s VAL 28 Ca 0.05 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.34 2a7y s VAL 28 Cb -0.13 -3.55 0.15 0.00 0.00 0.00 0.00 36.38 32.85 2a7y s VAL 28 CO -0.08 0.26 1.88 -0.09 0.00 0.00 0.00 175.10 177.07 2a7y h ARG 29 N 8.09 0.41 -2.76 2.72 1.12 -1.81 -3.42 114.38 118.74 2a7y h ARG 29 Ca -0.35 -0.10 -0.14 0.00 -1.11 0.00 0.00 59.98 58.28 2a7y h ARG 29 Cb 1.18 -0.06 -0.28 0.00 -0.01 0.00 0.00 29.97 30.80 2a7y h ARG 29 CO 0.59 0.50 -0.38 0.45 -3.11 0.00 0.00 179.97 178.03 2a7y s SER 30 N -6.80 -0.35 0.57 -3.80 0.15 -1.24 -5.01 113.70 97.22 2a7y s SER 30 Ca -0.07 0.77 0.33 0.00 0.70 0.00 0.00 55.95 57.68 2a7y s SER 30 Cb 0.15 0.72 1.71 0.00 -1.71 0.00 0.00 66.02 66.89 2a7y s SER 30 CO 0.75 -0.19 2.15 0.00 1.20 0.00 0.00 173.24 177.15 2a7y h ALA 31 N 7.35 1.21 0.00 5.45 0.00 -1.91 0.11 119.26 131.46 2a7y h ALA 31 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2a7y h ALA 31 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2a7y h ALA 31 CO 0.29 0.07 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 2a7y h ASP 32 N 0.00 0.00 0.00 0.00 3.32 -1.93 -3.32 116.42 114.50 2a7y h ASP 32 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a7y h ASP 32 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2a7y h ASP 32 CO 0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2a7y n GLY 33 N -0.30 0.91 3.67 2.75 0.00 0.38 -4.43 105.19 108.17 2a7y n GLY 33 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.09 6.70 0.93 1.61 0.01 -1.23 -4.88 113.70 114.76 2a7y s SER 34 Ca 0.00 2.25 -0.12 0.00 1.31 0.00 0.00 55.95 59.40 2a7y s SER 34 Cb 0.00 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.83 2a7y s SER 34 CO 0.00 -0.86 1.09 -2.84 0.41 0.00 0.00 173.24 171.04 2a7y s PRO 35 N 3.27 1.01 0.55 12.44 0.02 -1.26 -3.72 135.00 147.30 2a7y s PRO 35 Ca 0.71 0.83 -0.09 0.00 0.02 0.00 0.00 61.00 62.47 2a7y s PRO 35 Cb -0.34 -1.78 0.13 0.00 0.02 0.00 0.00 34.50 32.53 2a7y s PRO 35 CO 0.29 -2.42 0.75 -0.35 -0.33 0.00 0.00 177.00 174.94 2a7y n PRO 36 N -4.01 -0.70 -4.43 5.54 -0.04 -1.26 -4.96 135.00 125.15 2a7y n PRO 36 Ca 0.07 -1.19 -0.26 0.00 -0.04 0.00 0.00 63.50 62.09 2a7y n PRO 36 Cb 0.55 -0.76 -0.13 0.00 -0.04 0.00 0.00 33.50 33.12 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 -2.61 1.91 -0.53 0.54 1.51 -1.06 -4.02 117.35 113.10 2a7y s TYR 37 Ca 0.43 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.92 2a7y s TYR 37 Cb -0.01 -1.07 0.11 0.00 -0.11 0.00 0.00 41.96 40.87 2a7y s TYR 37 CO 0.30 0.20 0.52 0.08 -1.11 0.00 0.00 175.55 175.53 2a7y s VAL 38 N -1.03 5.12 0.05 0.71 1.01 -1.00 -1.45 120.40 123.82 2a7y s VAL 38 Ca 0.08 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.92 2a7y s VAL 38 Cb -0.10 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2a7y s VAL 38 CO 0.04 -0.84 -0.22 0.54 0.00 0.00 0.00 175.10 174.62 2a7y s VAL 39 N 1.88 2.51 -0.09 2.92 0.11 0.42 -3.29 120.40 124.85 2a7y s VAL 39 Ca 0.06 -1.33 0.04 0.00 -2.93 0.00 0.00 61.98 57.81 2a7y s VAL 39 Cb -0.27 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 2a7y s VAL 39 CO 0.05 0.31 -0.22 -0.60 -3.33 0.00 0.00 175.10 171.31 2a7y s ARG 40 N -1.46 2.86 -0.84 1.54 3.52 0.02 -1.58 118.95 123.00 2a7y s ARG 40 Ca 0.14 -0.81 -0.26 0.00 -0.13 0.00 0.00 55.73 54.67 2a7y s ARG 40 Cb -0.10 -2.17 0.04 0.00 -1.56 0.00 0.00 34.95 31.15 2a7y s ARG 40 CO 0.04 0.16 1.36 -1.58 -0.81 0.00 0.00 175.30 174.47 2a7y s TRP 41 N 0.38 2.36 -0.04 5.12 0.52 0.44 -1.20 118.94 126.52 2a7y s TRP 41 Ca -0.18 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 55.49 2a7y s TRP 41 Cb -0.18 -4.64 -0.07 0.00 -1.15 0.00 0.00 33.47 27.43 2a7y s TRP 41 CO 0.08 -2.03 0.53 -0.07 0.02 0.00 0.00 176.95 175.49 2a7y h LEU 42 N 13.03 -0.36 0.00 2.99 3.38 -1.95 0.27 115.31 132.66 2a7y h LEU 42 Ca -0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2a7y h LEU 42 Cb 1.04 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2a7y h LEU 42 CO 1.33 0.02 0.00 1.33 0.09 0.00 0.00 178.44 181.22 2a7y n VAL 43 N -4.71 0.35 -0.06 1.22 0.24 -1.26 -3.27 118.33 110.84 2a7y n VAL 43 Ca -0.05 0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.27 2a7y n VAL 43 Cb 0.17 -0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.29 1.40 0.00 -1.34 3.02 -1.23 -4.97 115.26 110.85 2a7y n ASN 44 Ca 0.10 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2a7y n ASN 44 Cb 0.17 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 1.50 0.25 3.54 7.41 0.00 0.89 -5.10 105.19 113.67 2a7y n GLY 45 Ca -0.09 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.38 -0.03 1.61 3.76 -0.81 -5.01 115.29 114.44 2a7y s HIS 46 Ca 0.00 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.39 2a7y s HIS 46 Cb 0.00 0.49 -0.03 0.00 1.11 0.00 0.00 32.58 34.15 2a7y s HIS 46 CO 0.00 -0.46 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.13 2a7y s GLU 47 N -2.16 2.58 0.25 1.40 8.01 -1.26 -0.42 118.70 127.10 2a7y s GLU 47 Ca 0.01 -0.67 -0.20 0.00 0.01 0.00 0.00 54.97 54.12 2a7y s GLU 47 Cb -0.01 -2.49 0.07 0.00 -4.31 0.00 0.00 34.13 27.40 2a7y s GLU 47 CO -0.03 0.62 0.97 -0.08 0.01 0.00 0.00 175.26 176.75 2a7y s THR 48 N -0.87 0.00 -0.27 3.63 -1.32 -0.62 -4.99 115.64 111.20 2a7y s THR 48 Ca 0.14 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.93 2a7y s THR 48 Cb -0.11 -2.98 0.08 0.00 -1.51 0.00 0.00 72.50 67.97 2a7y s THR 48 CO 0.04 0.00 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.55 2a7y s THR 49 N -2.08 1.61 0.05 5.08 2.01 -1.26 -0.44 115.64 120.61 2a7y s THR 49 Ca 0.21 -1.52 0.04 0.00 0.31 0.00 0.00 61.69 60.72 2a7y s THR 49 Cb -0.04 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2a7y s THR 49 CO 0.08 -0.31 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.98 2a7y s VAL 50 N 1.31 3.91 -0.47 3.82 1.01 -0.53 -4.92 120.40 124.53 2a7y s VAL 50 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2a7y s VAL 50 Cb -0.19 -2.80 0.12 0.00 0.00 0.00 0.00 36.38 33.52 2a7y s VAL 50 CO -0.10 0.24 0.33 -0.31 0.00 0.00 0.00 175.10 175.27 2a7y s TYR 51 N -1.18 3.45 -0.26 5.22 1.51 -1.26 -2.56 117.35 122.27 2a7y s TYR 51 Ca 0.22 -1.96 0.19 0.00 -1.01 0.00 0.00 57.07 54.50 2a7y s TYR 51 Cb -0.11 -3.46 0.13 0.00 -0.11 0.00 0.00 41.96 38.40 2a7y s TYR 51 CO 0.14 -0.99 1.40 -1.00 -1.11 0.00 0.00 175.55 173.98 2a7y h PRO 52 N 8.37 0.00 0.00 -1.71 0.13 -1.97 -3.50 132.00 133.32 2a7y h PRO 52 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2a7y h PRO 52 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2a7y h PRO 52 CO 0.84 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.27 2a7y n GLY 53 N 1.19 0.27 0.27 1.56 0.00 -1.26 -4.81 105.19 102.41 2a7y n GLY 53 Ca 0.01 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.32 2a7y n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a7y n SER 54 N 0.00 0.50 -1.18 1.61 7.64 -1.26 -4.71 113.62 116.23 2a7y n SER 54 Ca 0.00 -1.90 0.08 0.00 1.01 0.00 0.00 58.87 58.06 2a7y n SER 54 Cb 0.00 -0.17 0.29 0.00 -1.01 0.00 0.00 64.21 63.32 2a7y n SER 54 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2a7y n ASP 55 N -0.25 4.21 -4.63 6.43 5.75 -1.26 -4.89 116.55 121.90 2a7y n ASP 55 Ca 0.02 -2.64 -0.43 0.00 -0.01 0.00 0.00 54.79 51.74 2a7y n ASP 55 Cb 0.60 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a7y s ALA 56 N -2.17 3.15 0.55 2.12 0.00 -1.26 -3.95 121.76 120.20 2a7y s ALA 56 Ca 0.43 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.36 2a7y s ALA 56 Cb 0.30 -3.94 0.07 0.00 0.00 0.00 0.00 23.12 19.55 2a7y s ALA 56 CO 0.16 -2.17 0.75 0.54 0.00 0.00 0.00 175.76 175.04 2a7y s VAL 57 N 6.22 2.38 -0.14 0.00 0.11 0.58 -4.71 120.40 124.85 2a7y s VAL 57 Ca 0.89 -0.95 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 2a7y s VAL 57 Cb -0.34 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.08 2a7y s VAL 57 CO 0.36 0.00 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.23 2a7y s VAL 58 N -2.64 2.17 0.45 2.04 1.01 -1.26 -2.00 120.40 120.17 2a7y s VAL 58 Ca 0.60 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2a7y s VAL 58 Cb -0.07 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2a7y s VAL 58 CO 0.38 0.54 0.03 0.68 0.00 0.00 0.00 175.10 176.73 2a7y s VAL 59 N 0.81 1.25 0.00 2.92 -7.23 0.47 -4.93 120.40 113.70 2a7y s VAL 59 Ca -0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2a7y s VAL 59 Cb -0.15 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2a7y s VAL 59 CO -0.02 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.12 2a7y n THR 60 N -1.09 0.00 -0.33 5.32 -2.24 -1.26 -0.39 114.28 114.29 2a7y n THR 60 Ca -0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2a7y n THR 60 Cb 0.67 -0.13 0.10 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.88 1.14 -0.12 6.98 0.00 -1.98 -1.34 119.26 124.83 2a7y h ALA 61 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2a7y h ALA 61 Cb 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2a7y h ALA 61 CO 0.00 0.51 -0.19 1.79 0.00 0.00 0.00 179.25 181.36 2a7y h THR 62 N 1.19 1.37 0.00 0.00 1.35 -2.02 -2.20 112.91 112.60 2a7y h THR 62 Ca 0.33 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2a7y h THR 62 Cb -0.10 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2a7y h THR 62 CO -0.08 0.42 0.00 -0.33 -0.25 0.00 0.00 175.52 175.27 2a7y h GLU 63 N -0.08 0.00 -0.10 4.72 4.39 -1.93 -2.96 114.58 118.62 2a7y h GLU 63 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 2a7y h GLU 63 Cb 0.76 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2a7y h GLU 63 CO 0.04 0.00 -0.49 1.25 -1.16 0.00 0.00 179.01 178.66 2a7y h HIS 64 N 0.00 0.68 0.00 4.33 -0.00 -0.59 -3.30 115.15 116.27 2a7y h HIS 64 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2a7y h HIS 64 Cb 0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2a7y h HIS 64 CO 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 177.93 179.00 2a7y n ALA 65 N -2.55 -0.34 -0.12 5.26 0.00 -1.12 -0.41 120.51 121.24 2a7y n ALA 65 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2a7y n ALA 65 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 0.52 -0.43 0.00 -0.00 -1.79 -2.50 114.58 110.38 2a7y h GLU 66 Ca 0.00 -0.07 0.02 0.00 -0.00 0.00 0.00 59.36 59.32 2a7y h GLU 66 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 28.75 28.62 2a7y h GLU 66 CO 0.00 0.44 0.24 0.00 -0.00 0.00 0.00 179.01 179.69 2a7y h ALA 67 N 1.05 0.54 -0.65 1.06 0.00 -1.64 -2.84 119.26 116.78 2a7y h ALA 67 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2a7y h ALA 67 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2a7y h ALA 67 CO -0.02 -0.10 0.08 1.49 0.00 0.00 0.00 179.25 180.71 2a7y h GLU 68 N 0.48 1.09 0.53 0.00 4.81 -0.29 0.20 114.58 121.39 2a7y h GLU 68 Ca 0.18 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2a7y h GLU 68 Cb 0.04 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.30 2a7y h GLU 68 CO -0.10 1.01 -0.26 1.57 -0.73 0.00 0.00 179.01 180.50 2a7y h LYS 69 N 1.01 -0.69 -0.50 1.92 2.10 -1.43 0.12 116.57 119.11 2a7y h LYS 69 Ca 0.20 0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.89 2a7y h LYS 69 Cb 0.46 0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 2a7y h LYS 69 CO 0.02 -0.39 0.30 0.00 -2.00 0.00 0.00 179.45 177.38 2a7y h ARG 70 N -0.93 0.69 0.00 0.07 3.08 -1.38 -2.72 114.38 113.19 2a7y h ARG 70 Ca -0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2a7y h ARG 70 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2a7y h ARG 70 CO 0.12 0.50 -0.04 0.00 -1.07 0.00 0.00 179.97 179.48 2a7y h ALA 71 N 1.15 0.98 -0.10 0.04 0.00 -0.65 -2.08 119.26 118.59 2a7y h ALA 71 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2a7y h ALA 71 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2a7y h ALA 71 CO -0.03 0.00 -0.72 0.00 0.00 0.00 0.00 179.25 178.50 2a7y h ALA 72 N 2.35 0.57 0.00 0.00 0.00 -0.45 0.20 119.26 121.92 2a7y h ALA 72 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2a7y h ALA 72 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2a7y h ALA 72 CO 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 179.25 179.70 2a7y h ALA 73 N 0.89 1.48 0.00 0.00 0.00 -1.15 -2.70 119.26 117.78 2a7y h ALA 73 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2a7y h ALA 73 Cb 1.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2a7y h ALA 73 CO 0.13 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 2a7y h ARG 74 N 0.00 0.00 0.56 0.00 2.47 -1.26 -3.36 114.38 112.80 2a7y h ARG 74 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2a7y h ARG 74 Cb 0.53 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2a7y h ARG 74 CO 0.04 0.19 -0.27 0.00 0.56 0.00 0.00 179.97 180.48 2a7y h ALA 75 N -0.83 -1.05 -0.36 0.04 0.00 -0.69 -3.20 119.26 113.17 2a7y h ALA 75 Ca -0.01 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 2a7y h ALA 75 Cb 0.28 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 2a7y h ALA 75 CO -0.01 -1.00 0.29 0.41 0.00 0.00 0.00 179.25 178.95 2a7y n GLY 76 N -0.94 3.74 0.11 0.00 0.00 -1.02 -4.17 105.19 102.92 2a7y n GLY 76 Ca -0.09 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 2a7y n GLY 76 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2a7y h HIS 77 N 1.58 0.25 -1.88 1.61 6.17 -1.70 -3.40 115.15 117.78 2a7y h HIS 77 Ca 0.23 -0.15 -0.41 0.00 0.71 0.00 0.00 60.37 60.75 2a7y h HIS 77 Cb 0.94 -0.02 -0.30 0.00 2.52 0.00 0.00 27.41 30.54 2a7y h HIS 77 CO 0.79 1.01 -0.76 0.00 0.71 0.00 0.00 177.93 179.67 2a7y s ALA 78 N -3.05 -0.07 0.00 5.26 0.00 -1.26 -4.95 121.76 117.70 2a7y s ALA 78 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2a7y s ALA 78 Cb 0.10 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2a7y s ALA 78 CO 0.83 -2.10 0.00 0.00 0.00 0.00 0.00 175.76 174.49 2a7y n ALA 79 N 3.27 2.46 0.82 0.00 0.00 -1.26 -5.12 120.51 120.68 2a7y n ALA 79 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.75 2a7y n ALA 79 Cb 0.49 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 2a7y n ALA 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75