#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 0.37 0.16 1.12 3.76 -1.25 -3.76 115.29 115.70 2a7y s HIS 2 Ca 0.00 -0.51 -0.00 0.00 -0.15 0.00 0.00 55.06 54.40 2a7y s HIS 2 Cb 0.00 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.85 2a7y s HIS 2 CO 0.00 -0.58 0.07 0.00 -0.85 0.00 0.00 174.74 173.38 2a7y s ALA 3 N 2.08 1.08 0.29 -1.40 0.00 -1.21 -4.79 121.76 117.80 2a7y s ALA 3 Ca 0.03 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2a7y s ALA 3 Cb -0.16 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 2a7y s ALA 3 CO -0.13 -0.48 0.22 0.15 0.00 0.00 0.00 175.76 175.51 2a7y s LYS 4 N -4.05 1.59 -0.03 0.00 1.02 -1.26 -4.93 119.74 112.08 2a7y s LYS 4 Ca 0.29 -1.90 -0.18 0.00 0.02 0.00 0.00 55.97 54.20 2a7y s LYS 4 Cb 0.07 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 2a7y s LYS 4 CO 0.05 -0.55 0.49 0.54 -0.92 0.00 0.00 175.35 174.96 2a7y s VAL 5 N -3.65 5.02 0.00 3.17 0.11 -1.26 -3.76 120.40 120.02 2a7y s VAL 5 Ca 0.39 1.00 0.00 0.00 -2.93 0.00 0.00 61.98 60.44 2a7y s VAL 5 Cb 0.04 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 2a7y s VAL 5 CO 0.22 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 2a7y n GLY 6 N 2.44 0.91 3.08 6.54 0.00 0.38 -5.00 105.19 113.54 2a7y n GLY 6 Ca -0.10 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 0.23 -0.34 -4.26 1.61 9.92 -1.25 -4.96 116.55 117.50 2a7y n ASP 7 Ca 0.00 -3.08 -0.14 0.00 -0.53 0.00 0.00 54.79 51.03 2a7y n ASP 7 Cb 0.00 1.49 -0.10 0.00 -0.64 0.00 0.00 41.12 41.86 2a7y n ASP 7 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2a7y s TYR 8 N -3.24 1.34 0.00 1.24 1.51 -0.61 -0.39 117.35 117.19 2a7y s TYR 8 Ca 0.35 -1.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.15 2a7y s TYR 8 Cb 0.02 -0.73 -0.00 0.00 -0.11 0.00 0.00 41.96 41.13 2a7y s TYR 8 CO 0.25 -0.47 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.03 2a7y s LEU 9 N -3.23 2.04 0.03 -1.29 0.20 -0.63 -1.11 118.68 114.69 2a7y s LEU 9 Ca 0.37 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 55.10 2a7y s LEU 9 Cb 0.07 -0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.73 2a7y s LEU 9 CO 0.12 -0.02 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.43 2a7y s VAL 10 N -0.22 0.27 0.04 1.68 1.01 0.21 -2.40 120.40 120.98 2a7y s VAL 10 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2a7y s VAL 10 Cb -0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2a7y s VAL 10 CO -0.00 -0.56 -0.04 0.54 0.00 0.00 0.00 175.10 175.03 2a7y s VAL 11 N -1.91 0.27 -0.14 2.92 0.11 0.57 -0.33 120.40 121.89 2a7y s VAL 11 Ca -0.10 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.72 2a7y s VAL 11 Cb -0.07 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2a7y s VAL 11 CO -0.02 -0.62 0.01 1.17 -3.33 0.00 0.00 175.10 172.31 2a7y n LYS 12 N 1.10 -1.75 -0.29 1.54 3.00 -1.26 -0.50 118.16 119.99 2a7y n LYS 12 Ca -0.21 1.64 0.00 0.00 -0.00 0.00 0.00 58.31 59.75 2a7y n LYS 12 Cb 0.57 -3.11 0.00 0.00 0.00 0.00 0.00 35.03 32.49 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a7y n GLY 13 N 0.39 -0.35 0.14 3.14 0.00 -1.26 -3.30 105.19 103.95 2a7y n GLY 13 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2a7y n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2a7y h THR 14 N 4.98 1.21 0.00 2.61 1.35 -2.03 -3.41 112.91 117.63 2a7y h THR 14 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 2a7y h THR 14 Cb 1.16 2.98 0.00 0.00 -1.73 0.00 0.00 68.15 70.56 2a7y h THR 14 CO 0.00 0.80 -0.34 1.07 -0.25 0.00 0.00 175.52 176.80 2a7y n THR 15 N -3.78 0.00 -3.48 6.82 5.66 -1.26 -5.01 114.28 113.23 2a7y n THR 15 Ca -0.19 -0.09 -0.43 0.00 -3.05 0.00 0.00 64.05 60.29 2a7y n THR 15 Cb 1.03 0.52 -0.10 0.00 -1.55 0.00 0.00 70.33 70.23 2a7y n THR 15 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a7y s THR 16 N -0.86 5.07 -2.00 1.09 2.01 -1.26 -4.92 115.64 114.77 2a7y s THR 16 Ca 0.00 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2a7y s THR 16 Cb 0.00 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2a7y s THR 16 CO 0.00 -0.35 0.97 -0.62 -0.69 0.00 0.00 174.62 173.93 2a7y n GLU 17 N 5.13 0.91 0.04 4.92 4.71 -1.26 -3.09 120.64 132.00 2a7y n GLU 17 Ca -0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 56.94 2a7y n GLU 17 Cb 0.46 -1.03 0.05 0.00 -1.01 0.00 0.00 31.44 29.91 2a7y n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2a7y h ARG 18 N 0.00 0.43 -5.67 3.49 -0.00 -1.91 -3.49 114.38 107.24 2a7y h ARG 18 Ca 0.00 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.98 59.05 2a7y h ARG 18 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.03 2a7y h ARG 18 CO 0.00 0.95 -0.42 0.72 0.00 0.00 0.00 179.97 181.21 2a7y n HIS 19 N -3.88 -2.96 -1.25 3.04 8.25 -1.18 -4.90 115.22 112.34 2a7y n HIS 19 Ca -0.04 1.17 -0.16 0.00 -0.26 0.00 0.00 57.72 58.43 2a7y n HIS 19 Cb 0.67 -3.69 0.12 0.00 1.12 0.00 0.00 29.99 28.21 2a7y n HIS 19 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a7y n ASP 20 N -1.35 -0.52 -2.76 0.41 8.00 0.34 -4.69 116.55 115.98 2a7y n ASP 20 Ca -0.02 -1.12 -0.04 0.00 0.71 0.00 0.00 54.79 54.31 2a7y n ASP 20 Cb 0.54 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2a7y n ASP 20 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2a7y n GLN 21 N -2.81 -3.56 -3.59 -1.24 -0.06 -0.55 -0.32 117.38 105.25 2a7y n GLN 21 Ca 0.09 2.76 -0.28 0.00 -2.00 0.00 0.00 57.00 57.57 2a7y n GLN 21 Cb 0.32 -3.74 -0.16 0.00 -4.06 0.00 0.00 30.24 22.60 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2a7y s HIS 22 N -0.48 0.50 0.30 3.69 2.46 -1.13 -3.07 115.29 117.56 2a7y s HIS 22 Ca -0.20 -0.84 0.07 0.00 0.47 0.00 0.00 55.06 54.56 2a7y s HIS 22 Cb 0.01 -0.95 -0.03 0.00 -0.13 0.00 0.00 32.58 31.48 2a7y s HIS 22 CO 0.55 -0.75 0.25 0.00 -2.47 0.00 0.00 174.74 172.32 2a7y n ALA 23 N 5.20 0.64 -3.70 1.58 0.00 -1.01 -3.99 120.51 119.23 2a7y n ALA 23 Ca -0.06 -1.76 -0.18 0.00 0.00 0.00 0.00 53.44 51.43 2a7y n ALA 23 Cb 0.44 1.41 -0.16 0.00 0.00 0.00 0.00 19.45 21.14 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 -3.23 0.40 -0.42 0.00 2.12 -0.96 -1.60 118.70 115.00 2a7y s GLU 24 Ca 0.35 0.07 -0.24 0.00 0.36 0.00 0.00 54.97 55.52 2a7y s GLU 24 Cb 0.02 -0.61 0.02 0.00 0.26 0.00 0.00 34.13 33.82 2a7y s GLU 24 CO 0.25 -0.16 0.81 0.42 -0.54 0.00 0.00 175.26 176.04 2a7y s ILE 25 N 1.21 4.64 -0.55 -3.70 1.01 0.48 -2.10 121.20 122.19 2a7y s ILE 25 Ca -0.07 0.64 0.15 0.00 0.00 0.00 0.00 60.65 61.37 2a7y s ILE 25 Cb -0.13 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 37.85 2a7y s ILE 25 CO -0.02 -0.65 0.56 2.30 0.00 0.00 0.00 174.94 177.14 2a7y n ILE 26 N 6.08 0.00 -3.94 2.92 -0.00 -1.24 -0.47 119.36 122.71 2a7y n ILE 26 Ca 0.03 -0.19 -0.13 0.00 -0.00 0.00 0.00 62.75 62.46 2a7y n ILE 26 Cb 0.48 0.82 -0.14 0.00 -0.00 0.00 0.00 39.64 40.80 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 -2.53 0.11 -0.26 6.28 2.02 -0.88 -4.92 118.70 118.52 2a7y s GLU 27 Ca 0.03 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 2a7y s GLU 27 Cb 0.11 -0.11 0.09 0.00 0.10 0.00 0.00 34.13 34.31 2a7y s GLU 27 CO 0.61 0.02 0.11 0.08 0.02 0.00 0.00 175.26 176.10 2a7y s VAL 28 N 0.01 0.17 -0.24 2.63 1.01 -1.26 -2.50 120.40 120.22 2a7y s VAL 28 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2a7y s VAL 28 Cb -0.01 -1.05 0.23 0.00 0.00 0.00 0.00 36.38 35.55 2a7y s VAL 28 CO -0.00 -0.59 1.75 -1.14 0.00 0.00 0.00 175.10 175.12 2a7y n ARG 29 N 5.16 1.63 -3.54 2.72 0.00 -1.24 -4.80 116.66 116.58 2a7y n ARG 29 Ca -0.06 -1.33 -0.17 0.00 -0.00 0.00 0.00 57.85 56.29 2a7y n ARG 29 Cb 0.44 -1.52 -0.06 0.00 0.00 0.00 0.00 32.46 31.31 2a7y n ARG 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2a7y s SER 30 N 0.24 -0.60 0.07 6.15 0.15 -1.26 -4.56 113.70 113.90 2a7y s SER 30 Ca 0.26 0.59 0.23 0.00 0.70 0.00 0.00 55.95 57.73 2a7y s SER 30 Cb 0.21 0.52 0.17 0.00 -1.71 0.00 0.00 66.02 65.20 2a7y s SER 30 CO 0.02 -0.62 1.14 0.00 1.20 0.00 0.00 173.24 174.98 2a7y n ALA 31 N 0.84 3.25 0.02 5.45 0.00 -1.26 -4.69 120.51 124.12 2a7y n ALA 31 Ca -0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 53.44 52.90 2a7y n ALA 31 Cb 0.58 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 2a7y n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a7y n ASP 32 N -1.99 0.45 0.00 0.00 2.03 -1.26 -4.97 116.55 110.80 2a7y n ASP 32 Ca 0.03 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2a7y n ASP 32 Cb 0.43 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a7y n GLY 33 N 3.35 -0.33 3.41 0.27 0.00 -1.25 -3.34 105.19 107.31 2a7y n GLY 33 Ca -0.00 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 3.45 0.79 1.61 0.01 -1.26 -4.55 113.70 113.75 2a7y s SER 34 Ca 0.00 -0.65 -0.13 0.00 1.31 0.00 0.00 55.95 56.49 2a7y s SER 34 Cb 0.00 -0.34 0.07 0.00 0.21 0.00 0.00 66.02 65.97 2a7y s SER 34 CO 0.00 0.20 1.17 -2.84 0.41 0.00 0.00 173.24 172.18 2a7y s PRO 35 N -1.84 1.82 0.20 12.44 0.02 -1.26 -4.40 135.00 141.98 2a7y s PRO 35 Ca 0.14 1.60 -0.01 0.00 0.02 0.00 0.00 61.00 62.75 2a7y s PRO 35 Cb -0.10 -1.81 0.04 0.00 0.02 0.00 0.00 34.50 32.65 2a7y s PRO 35 CO 0.06 -2.05 0.27 -0.35 -0.33 0.00 0.00 177.00 174.60 2a7y n PRO 36 N -3.30 0.24 -4.21 5.54 -0.04 -1.26 -4.96 135.00 127.01 2a7y n PRO 36 Ca 0.12 -0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 62.82 2a7y n PRO 36 Cb 0.51 -0.21 -0.10 0.00 -0.04 0.00 0.00 33.50 33.66 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 -0.89 1.14 -0.09 0.54 2.02 -0.99 -3.71 117.35 115.38 2a7y s TYR 37 Ca 0.17 -1.28 -0.02 0.00 -0.37 0.00 0.00 57.07 55.57 2a7y s TYR 37 Cb -0.01 -0.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.99 2a7y s TYR 37 CO 0.12 -0.53 0.04 0.08 -1.57 0.00 0.00 175.55 173.69 2a7y s VAL 38 N -4.03 0.12 0.24 0.71 1.01 -1.04 -2.15 120.40 115.26 2a7y s VAL 38 Ca 0.34 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2a7y s VAL 38 Cb 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2a7y s VAL 38 CO 0.09 0.09 0.16 0.54 0.00 0.00 0.00 175.10 175.98 2a7y s VAL 39 N 2.07 0.09 -0.01 2.92 0.11 -0.14 -2.06 120.40 123.37 2a7y s VAL 39 Ca 0.04 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.09 2a7y s VAL 39 Cb -0.13 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.22 2a7y s VAL 39 CO -0.05 0.00 -0.00 -0.60 -3.33 0.00 0.00 175.10 171.12 2a7y s ARG 40 N -3.97 0.15 -1.02 1.54 3.52 -0.89 -0.39 118.95 117.88 2a7y s ARG 40 Ca 0.39 0.04 -0.23 0.00 -0.13 0.00 0.00 55.73 55.80 2a7y s ARG 40 Cb 0.06 -0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.22 2a7y s ARG 40 CO 0.16 -0.07 1.53 -1.58 -0.81 0.00 0.00 175.30 174.53 2a7y s TRP 41 N 0.55 2.45 0.00 5.12 0.52 -0.22 -2.27 118.94 125.09 2a7y s TRP 41 Ca -0.05 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.37 2a7y s TRP 41 Cb -0.08 -4.62 0.00 0.00 -1.15 0.00 0.00 33.47 27.63 2a7y s TRP 41 CO -0.01 -1.90 0.87 1.28 0.02 0.00 0.00 176.95 177.20 2a7y n LEU 42 N 9.52 0.00 0.22 2.99 4.77 -1.26 0.67 117.00 133.90 2a7y n LEU 42 Ca 0.35 0.87 0.07 0.00 -0.03 0.00 0.00 56.01 57.27 2a7y n LEU 42 Cb 0.50 -0.37 0.60 0.00 -2.33 0.00 0.00 43.42 41.83 2a7y n LEU 42 CO 0.66 -0.37 1.08 -0.37 -1.33 0.00 0.00 177.39 177.06 2a7y h VAL 43 N 0.00 1.02 0.38 4.08 -1.51 -1.90 -2.11 116.25 116.21 2a7y h VAL 43 Ca 0.00 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 2a7y h VAL 43 Cb 0.00 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2a7y h VAL 43 CO 0.00 0.02 -0.18 0.78 -1.23 0.00 0.00 177.57 176.96 2a7y h ASN 44 N 0.09 -0.43 0.00 4.19 2.35 -1.89 -3.49 115.58 116.41 2a7y h ASN 44 Ca 0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2a7y h ASN 44 Cb -0.00 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2a7y h ASN 44 CO -0.00 -0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.09 2a7y n GLY 45 N -1.15 1.10 3.26 2.83 0.00 0.21 -5.10 105.19 106.34 2a7y n GLY 45 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.32 1.48 -0.03 1.61 3.76 -0.84 -5.02 115.29 114.93 2a7y s HIS 46 Ca 0.00 -1.49 -0.00 0.00 -0.15 0.00 0.00 55.06 53.41 2a7y s HIS 46 Cb 0.00 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.04 2a7y s HIS 46 CO 0.00 -0.71 0.02 -1.21 -0.85 0.00 0.00 174.74 171.98 2a7y s GLU 47 N -3.81 0.18 0.32 1.40 8.01 -1.26 -1.05 118.70 122.48 2a7y s GLU 47 Ca 0.39 0.15 0.07 0.00 0.01 0.00 0.00 54.97 55.59 2a7y s GLU 47 Cb 0.05 -0.46 -0.03 0.00 -4.31 0.00 0.00 34.13 29.38 2a7y s GLU 47 CO 0.19 -0.18 0.26 -2.37 0.01 0.00 0.00 175.26 173.17 2a7y n THR 48 N 4.39 0.00 -3.65 3.63 5.66 0.47 -4.99 114.28 119.80 2a7y n THR 48 Ca -0.22 -2.31 -0.26 0.00 -3.05 0.00 0.00 64.05 58.21 2a7y n THR 48 Cb 0.50 1.13 -0.17 0.00 -1.55 0.00 0.00 70.33 70.25 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 -3.27 0.08 0.35 1.09 2.01 -1.26 -0.97 115.64 113.67 2a7y s THR 49 Ca 0.37 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.21 2a7y s THR 49 Cb 0.02 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2a7y s THR 49 CO 0.26 -0.23 0.27 1.33 -0.69 0.00 0.00 174.62 175.56 2a7y n VAL 50 N 5.22 0.00 -3.73 3.82 0.24 -0.92 -4.97 118.33 117.99 2a7y n VAL 50 Ca -0.07 -2.47 -0.20 0.00 -2.04 0.00 0.00 64.34 59.56 2a7y n VAL 50 Cb 0.49 1.19 -0.18 0.00 -1.47 0.00 0.00 33.84 33.87 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 -3.34 0.23 0.05 6.34 2.02 -1.26 -2.34 117.35 119.04 2a7y s TYR 51 Ca 0.38 0.12 -0.27 0.00 -0.37 0.00 0.00 57.07 56.93 2a7y s TYR 51 Cb 0.02 -0.53 -0.17 0.00 -0.40 0.00 0.00 41.96 40.88 2a7y s TYR 51 CO 0.27 -0.21 1.50 -1.35 -1.57 0.00 0.00 175.55 174.19 2a7y h PRO 52 N 8.19 -0.38 0.00 -1.71 0.11 -1.98 -3.48 132.00 132.74 2a7y h PRO 52 Ca -0.20 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2a7y h PRO 52 Cb 1.12 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a7y h PRO 52 CO 0.24 -0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 2a7y n GLY 53 N -0.83 3.23 0.36 -0.55 0.00 -1.26 -4.92 105.19 101.21 2a7y n GLY 53 Ca -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 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 0.53 0.12 0.16 1.61 7.64 -1.26 -4.92 113.62 117.51 2a7y n SER 54 Ca 0.00 -1.10 0.10 0.00 1.01 0.00 0.00 58.87 58.88 2a7y n SER 54 Cb 0.00 -0.06 0.52 0.00 -1.01 0.00 0.00 64.21 63.66 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 -3.00 0.50 -0.83 6.43 2.03 -1.26 -4.92 116.55 115.50 2a7y n ASP 55 Ca 0.02 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2a7y n ASP 55 Cb 0.05 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7y n ALA 56 N -1.71 -2.53 -2.29 -1.67 0.00 -1.26 -3.94 120.51 107.10 2a7y n ALA 56 Ca -0.01 0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 2a7y n ALA 56 Cb 0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2a7y n ALA 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2a7y s VAL 57 N -1.51 0.46 -0.06 0.00 -7.23 0.56 -4.46 120.40 108.16 2a7y s VAL 57 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2a7y s VAL 57 Cb 0.00 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2a7y s VAL 57 CO 0.00 -0.01 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.87 2a7y s VAL 58 N -3.82 2.39 0.43 1.32 1.01 -1.26 -0.61 120.40 119.85 2a7y s VAL 58 Ca 0.38 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2a7y s VAL 58 Cb 0.08 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2a7y s VAL 58 CO 0.13 0.57 0.04 0.68 0.00 0.00 0.00 175.10 176.53 2a7y s VAL 59 N -0.28 1.23 0.00 2.92 -7.23 -0.27 -4.90 120.40 111.87 2a7y s VAL 59 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2a7y s VAL 59 Cb -0.13 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2a7y s VAL 59 CO 0.03 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.89 2a7y n THR 60 N -1.00 0.00 -0.21 5.32 5.66 -1.26 -1.58 114.28 121.20 2a7y n THR 60 Ca -0.10 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.86 2a7y n THR 60 Cb 0.66 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.50 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 0.79 0.09 1.79 0.00 -1.99 0.17 119.26 121.12 2a7y h ALA 61 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 2a7y h ALA 61 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2a7y h ALA 61 CO 0.00 0.13 -1.31 1.79 0.00 0.00 0.00 179.25 179.87 2a7y h THR 62 N 0.76 1.40 0.00 0.00 1.35 -2.02 -2.79 112.91 111.60 2a7y h THR 62 Ca 0.24 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2a7y h THR 62 Cb 0.00 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2a7y h THR 62 CO -0.09 0.87 0.00 -0.33 -0.25 0.00 0.00 175.52 175.71 2a7y h GLU 63 N 0.05 0.00 0.10 4.72 5.08 -1.90 -3.25 114.58 119.38 2a7y h GLU 63 Ca -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2a7y h GLU 63 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2a7y h GLU 63 CO 0.17 0.00 -0.05 1.25 -1.00 0.00 0.00 179.01 179.38 2a7y h HIS 64 N 0.00 -0.13 0.03 4.33 -0.00 -0.68 -3.39 115.15 115.31 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 0.24 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2a7y h HIS 64 CO 0.00 0.12 -0.15 0.00 -0.00 0.00 0.00 177.93 177.89 2a7y h ALA 65 N -0.78 -0.67 0.16 5.26 0.00 -1.58 0.19 119.26 121.83 2a7y h ALA 65 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2a7y h ALA 65 Cb 0.30 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2a7y h ALA 65 CO 0.02 -0.71 -0.07 1.05 0.00 0.00 0.00 179.25 179.54 2a7y h GLU 66 N -0.21 -0.20 0.00 0.00 -0.00 -1.83 -2.78 114.58 109.55 2a7y h GLU 66 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2a7y h GLU 66 Cb 0.22 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.01 2a7y h GLU 66 CO -0.09 0.23 0.00 0.00 -0.00 0.00 0.00 179.01 179.15 2a7y h ALA 67 N -0.12 1.00 -0.06 1.06 0.00 -1.75 -2.15 119.26 117.24 2a7y h ALA 67 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2a7y h ALA 67 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2a7y h ALA 67 CO 0.04 0.00 -0.44 1.49 0.00 0.00 0.00 179.25 180.33 2a7y h GLU 68 N 0.00 0.41 -0.10 0.00 4.81 -0.53 0.15 114.58 119.32 2a7y h GLU 68 Ca 0.00 -0.36 0.04 0.00 -0.13 0.00 0.00 59.36 58.91 2a7y h GLU 68 Cb 0.42 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 2a7y h GLU 68 CO 0.00 1.01 -0.44 0.87 -0.73 0.00 0.00 179.01 179.72 2a7y h LYS 69 N -0.06 -0.51 0.73 1.92 1.57 -1.11 0.16 116.57 119.28 2a7y h LYS 69 Ca -0.04 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2a7y h LYS 69 Cb 1.11 0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.54 2a7y h LYS 69 CO 0.09 -0.34 -0.35 0.00 -0.57 0.00 0.00 179.45 178.28 2a7y h ARG 70 N -0.52 -0.95 0.00 3.15 3.08 -1.54 -2.83 114.38 114.76 2a7y h ARG 70 Ca 0.06 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2a7y h ARG 70 Cb 0.64 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2a7y h ARG 70 CO -0.39 -0.63 0.00 0.00 -1.07 0.00 0.00 179.97 177.88 2a7y h ALA 71 N -1.32 1.00 0.24 0.04 0.00 -0.70 -2.18 119.26 116.34 2a7y h ALA 71 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2a7y h ALA 71 Cb 0.76 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.58 2a7y h ALA 71 CO 0.17 0.00 -1.45 0.00 0.00 0.00 0.00 179.25 177.97 2a7y h ALA 72 N 2.22 -0.13 -0.92 0.00 0.00 -0.74 0.21 119.26 119.90 2a7y h ALA 72 Ca 0.00 -0.86 0.18 0.00 0.00 0.00 0.00 54.91 54.23 2a7y h ALA 72 Cb 0.55 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2a7y h ALA 72 CO 0.00 0.73 0.59 0.00 0.00 0.00 0.00 179.25 180.57 2a7y h ALA 73 N 0.22 1.98 0.17 0.00 0.00 -1.14 -2.11 119.26 118.37 2a7y h ALA 73 Ca -0.24 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 2a7y h ALA 73 Cb 2.14 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.89 2a7y h ALA 73 CO 0.27 -0.26 -1.02 0.00 0.00 0.00 0.00 179.25 178.23 2a7y h ARG 74 N 0.57 0.40 -0.61 0.00 3.08 -1.42 -3.22 114.38 113.18 2a7y h ARG 74 Ca 0.48 -0.65 0.11 0.00 0.07 0.00 0.00 59.98 59.99 2a7y h ARG 74 Cb 0.96 0.24 -0.12 0.00 0.08 0.00 0.00 29.97 31.13 2a7y h ARG 74 CO -0.22 1.30 -0.28 0.00 -1.07 0.00 0.00 179.97 179.70 2a7y h ALA 75 N 0.13 0.11 -0.60 0.04 0.00 0.03 -1.46 119.26 117.52 2a7y h ALA 75 Ca -0.17 0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2a7y h ALA 75 Cb 1.79 0.69 -0.18 0.00 0.00 0.00 0.00 17.79 20.09 2a7y h ALA 75 CO 0.19 -0.60 0.19 0.41 0.00 0.00 0.00 179.25 179.45 2a7y n GLY 76 N -1.44 4.75 0.06 0.00 0.00 -1.01 -4.53 105.19 103.01 2a7y n GLY 76 Ca 0.05 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 1.02 0.00 -3.25 1.61 6.17 -1.27 -3.43 115.15 116.00 2a7y h HIS 77 Ca 0.38 0.00 -0.63 0.00 0.71 0.00 0.00 60.37 60.83 2a7y h HIS 77 Cb 2.12 0.00 -0.40 0.00 2.52 0.00 0.00 27.41 31.65 2a7y h HIS 77 CO 1.26 0.30 -0.69 0.00 0.71 0.00 0.00 177.93 179.51 2a7y s ALA 78 N -2.46 2.70 0.00 5.26 0.00 -1.26 -5.09 121.76 120.92 2a7y s ALA 78 Ca -0.06 -2.83 0.08 0.00 0.00 0.00 0.00 51.96 49.15 2a7y s ALA 78 Cb -0.01 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2a7y s ALA 78 CO 0.21 -1.98 -0.24 0.00 0.00 0.00 0.00 175.76 173.76 2a7y s ALA 79 N 0.22 1.97 0.00 0.00 0.00 -1.26 -5.08 121.76 117.61 2a7y s ALA 79 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2a7y s ALA 79 Cb -0.24 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2a7y s ALA 79 CO -0.02 0.48 0.00 2.41 0.00 0.00 0.00 175.76 178.62