#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 0.15 0.24 1.12 5.65 -1.26 -3.88 115.29 117.31 2a7y s HIS 2 Ca 0.00 0.01 0.01 0.00 0.25 0.00 0.00 55.06 55.32 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 -0.04 0.15 0.00 -0.65 0.00 0.00 174.74 174.20 2a7y s ALA 3 N 0.35 1.42 0.04 1.58 0.00 -1.26 -4.94 121.76 118.95 2a7y s ALA 3 Ca -0.03 -1.78 -0.00 0.00 0.00 0.00 0.00 51.96 50.15 2a7y s ALA 3 Cb -0.05 1.33 -0.03 0.00 0.00 0.00 0.00 23.12 24.37 2a7y s ALA 3 CO -0.01 -0.57 -0.04 0.21 0.00 0.00 0.00 175.76 175.35 2a7y s LYS 4 N -4.01 0.52 0.36 0.00 2.20 -1.26 -4.98 119.74 112.57 2a7y s LYS 4 Ca 0.39 -0.98 -0.27 0.00 -0.36 0.00 0.00 55.97 54.75 2a7y s LYS 4 Cb 0.06 0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.37 2a7y s LYS 4 CO 0.15 -0.06 1.20 0.08 -0.36 0.00 0.00 175.35 176.36 2a7y s VAL 5 N -2.77 3.05 0.00 4.02 1.01 -1.26 -3.08 120.40 121.37 2a7y s VAL 5 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2a7y s VAL 5 Cb -0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2a7y s VAL 5 CO -0.05 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2a7y n GLY 6 N 0.77 0.72 2.99 4.51 0.00 -0.14 -5.00 105.19 109.05 2a7y n GLY 6 Ca 0.02 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 0.83 -0.40 -4.20 1.61 8.00 -1.18 -4.98 116.55 116.23 2a7y n ASP 7 Ca 0.00 -3.03 -0.12 0.00 0.71 0.00 0.00 54.79 52.35 2a7y n ASP 7 Cb 0.00 1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 42.47 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 -3.22 1.07 -0.00 1.24 1.51 -0.59 -0.88 117.35 116.48 2a7y s TYR 8 Ca 0.35 -1.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 2a7y s TYR 8 Cb 0.02 -0.61 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 2a7y s TYR 8 CO 0.24 -0.36 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.14 2a7y s LEU 9 N -3.12 1.89 0.05 -1.29 0.20 -0.55 -0.68 118.68 115.18 2a7y s LEU 9 Ca 0.25 -0.03 -0.00 0.00 0.69 0.00 0.00 54.13 55.04 2a7y s LEU 9 Cb 0.07 -0.10 -0.04 0.00 -0.43 0.00 0.00 46.19 45.69 2a7y s LEU 9 CO 0.03 0.01 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.37 2a7y s VAL 10 N 0.09 0.30 0.17 1.68 1.01 -0.99 -2.22 120.40 120.44 2a7y s VAL 10 Ca -0.01 -1.63 -0.01 0.00 0.00 0.00 0.00 61.98 60.34 2a7y s VAL 10 Cb -0.02 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2a7y s VAL 10 CO -0.00 -0.85 0.07 0.54 0.00 0.00 0.00 175.10 174.86 2a7y s VAL 11 N -3.29 0.17 -1.29 2.92 0.11 0.51 -0.33 120.40 119.21 2a7y s VAL 11 Ca 0.03 -1.95 -0.14 0.00 -2.93 0.00 0.00 61.98 56.99 2a7y s VAL 11 Cb 0.03 -2.23 0.12 0.00 -1.53 0.00 0.00 36.38 32.77 2a7y s VAL 11 CO -0.07 -0.30 1.76 1.17 -3.33 0.00 0.00 175.10 174.33 2a7y n LYS 12 N -0.19 3.29 0.05 1.54 4.81 -1.25 -0.78 118.16 125.63 2a7y n LYS 12 Ca -0.03 -3.40 0.13 0.00 -0.87 0.00 0.00 58.31 54.13 2a7y n LYS 12 Cb 0.64 -3.19 0.33 0.00 0.02 0.00 0.00 35.03 32.84 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a7y n GLY 13 N 4.17 -1.48 3.64 3.14 0.00 -1.26 -4.84 105.19 108.55 2a7y n GLY 13 Ca 0.43 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 2a7y n GLY 13 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a7y s THR 14 N -3.09 0.00 -0.10 2.61 -1.32 -1.26 -4.94 115.64 107.53 2a7y s THR 14 Ca 0.10 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.56 2a7y s THR 14 Cb 0.15 -1.00 -0.25 0.00 -1.51 0.00 0.00 72.50 69.88 2a7y s THR 14 CO 0.65 0.00 0.43 0.41 -2.21 0.00 0.00 174.62 173.90 2a7y n THR 15 N 3.50 1.74 0.09 5.08 -1.04 -1.26 -3.54 114.28 118.85 2a7y n THR 15 Ca -0.17 -0.69 -0.06 0.00 -2.04 0.00 0.00 64.05 61.09 2a7y n THR 15 Cb 0.57 -1.55 0.06 0.00 -1.82 0.00 0.00 70.33 67.58 2a7y n THR 15 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2a7y h THR 16 N 0.05 1.47 -0.76 12.58 1.35 -2.00 -3.07 112.91 122.54 2a7y h THR 16 Ca -0.39 -2.39 -0.48 0.00 -0.55 0.00 0.00 66.41 62.60 2a7y h THR 16 Cb 2.03 2.29 -0.22 0.00 -1.73 0.00 0.00 68.15 70.52 2a7y h THR 16 CO 0.08 0.69 0.62 1.21 -0.25 0.00 0.00 175.52 177.88 2a7y n GLU 17 N -3.73 2.19 0.00 4.72 2.13 -1.26 -4.93 120.64 119.75 2a7y n GLU 17 Ca -0.02 -2.43 0.00 0.00 0.66 0.00 0.00 57.16 55.36 2a7y n GLU 17 Cb 0.72 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2a7y n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2a7y n ARG 18 N -0.44 0.00 -3.58 5.31 3.00 -1.16 -4.71 116.66 115.07 2a7y n ARG 18 Ca 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 58.27 2a7y n ARG 18 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.27 2a7y n ARG 18 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2a7y s HIS 19 N 0.00 -0.21 0.14 -0.14 3.76 -1.23 -4.70 115.29 112.91 2a7y s HIS 19 Ca 0.00 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.99 2a7y s HIS 19 Cb 0.00 0.54 -0.04 0.00 1.11 0.00 0.00 32.58 34.19 2a7y s HIS 19 CO 0.00 -0.43 0.06 0.34 -0.85 0.00 0.00 174.74 173.86 2a7y s ASP 20 N -2.49 0.38 -0.08 1.40 2.15 0.04 -4.84 116.67 113.23 2a7y s ASP 20 Ca 0.09 -1.22 -0.06 0.00 0.43 0.00 0.00 52.55 51.79 2a7y s ASP 20 Cb -0.00 0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.93 2a7y s ASP 20 CO -0.05 -0.72 0.12 0.00 -0.17 0.00 0.00 175.17 174.34 2a7y n GLN 21 N -0.12 -4.69 -3.78 4.34 6.02 -1.13 -0.36 117.38 117.66 2a7y n GLN 21 Ca -0.05 3.48 -0.17 0.00 -0.01 0.00 0.00 57.00 60.25 2a7y n GLN 21 Cb 0.64 -4.70 -0.17 0.00 1.02 0.00 0.00 30.24 27.03 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 -0.60 0.14 0.30 1.08 2.46 -1.13 -3.12 115.29 114.41 2a7y s HIS 22 Ca -0.14 0.12 0.07 0.00 0.47 0.00 0.00 55.06 55.58 2a7y s HIS 22 Cb 0.01 -0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 32.06 2a7y s HIS 22 CO 0.37 -0.14 0.24 0.00 -2.47 0.00 0.00 174.74 172.74 2a7y n ALA 23 N 4.54 0.63 -3.73 1.58 0.00 -0.94 -3.24 120.51 119.35 2a7y n ALA 23 Ca -0.20 -1.74 -0.21 0.00 0.00 0.00 0.00 53.44 51.30 2a7y n ALA 23 Cb 0.50 1.39 -0.17 0.00 0.00 0.00 0.00 19.45 21.17 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 -3.21 0.40 -0.38 0.00 2.12 -0.96 -1.48 118.70 115.19 2a7y s GLU 24 Ca 0.35 0.15 -0.25 0.00 0.36 0.00 0.00 54.97 55.58 2a7y s GLU 24 Cb 0.02 -0.76 0.02 0.00 0.26 0.00 0.00 34.13 33.66 2a7y s GLU 24 CO 0.24 -0.26 0.89 0.96 -0.54 0.00 0.00 175.26 176.55 2a7y s ILE 25 N 1.77 4.61 -1.57 -3.70 -4.36 -0.06 -1.11 121.20 116.77 2a7y s ILE 25 Ca 0.01 1.06 0.16 0.00 -0.26 0.00 0.00 60.65 61.61 2a7y s ILE 25 Cb -0.13 -4.31 0.03 0.00 1.25 0.00 0.00 42.46 39.30 2a7y s ILE 25 CO -0.04 -0.55 0.88 2.30 0.24 0.00 0.00 174.94 177.77 2a7y n ILE 26 N 5.98 0.00 -3.76 8.37 -6.64 -1.23 -0.97 119.36 121.12 2a7y n ILE 26 Ca 0.06 -0.38 -0.19 0.00 -1.77 0.00 0.00 62.75 60.47 2a7y n ILE 26 Cb 0.48 1.22 -0.17 0.00 -1.44 0.00 0.00 39.64 39.73 2a7y n ILE 26 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 2a7y s GLU 27 N -1.72 0.09 -0.30 6.28 -6.30 -0.69 -4.93 118.70 111.15 2a7y s GLU 27 Ca 0.14 0.24 -0.03 0.00 -2.50 0.00 0.00 54.97 52.82 2a7y s GLU 27 Cb 0.13 -0.50 0.10 0.00 0.00 0.00 0.00 34.13 33.86 2a7y s GLU 27 CO 0.34 -0.25 0.13 0.08 0.02 0.00 0.00 175.26 175.58 2a7y s VAL 28 N 1.64 0.15 -1.61 3.70 1.01 -1.26 -2.38 120.40 121.65 2a7y s VAL 28 Ca -0.01 -0.93 0.17 0.00 0.00 0.00 0.00 61.98 61.20 2a7y s VAL 28 Cb -0.13 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2a7y s VAL 28 CO -0.03 -0.73 0.90 -1.14 0.00 0.00 0.00 175.10 174.10 2a7y n ARG 29 N 5.12 1.61 0.25 2.72 0.63 -1.26 -4.40 116.66 121.34 2a7y n ARG 29 Ca -0.05 -0.93 0.11 0.00 -0.92 0.00 0.00 57.85 56.06 2a7y n ARG 29 Cb 0.42 -1.29 0.66 0.00 0.45 0.00 0.00 32.46 32.69 2a7y n ARG 29 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2a7y h SER 30 N 2.08 0.00 0.00 6.15 0.02 -1.84 -3.46 113.55 116.50 2a7y h SER 30 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a7y h SER 30 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2a7y h SER 30 CO 0.00 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 2a7y n ALA 31 N -2.33 0.00 -0.06 3.77 0.00 -1.26 -2.73 120.51 117.90 2a7y n ALA 31 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2a7y n ALA 31 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 2a7y n ALA 31 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2a7y h ASP 32 N 0.00 0.57 -0.54 0.00 5.19 -1.91 -3.44 116.42 116.29 2a7y h ASP 32 Ca 0.00 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2a7y h ASP 32 Cb 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.35 2a7y h ASP 32 CO 0.00 0.98 0.00 0.61 -3.12 0.00 0.00 179.24 177.71 2a7y n GLY 33 N 0.32 -0.28 0.96 2.75 0.00 -1.10 -4.01 105.19 103.82 2a7y n GLY 33 Ca -0.06 -1.40 0.05 0.00 0.00 0.00 0.00 46.02 44.61 2a7y n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a7y n SER 34 N 1.28 -5.18 -4.70 1.61 3.41 -1.26 -4.71 113.62 104.06 2a7y n SER 34 Ca 0.00 1.08 -0.31 0.00 -0.26 0.00 0.00 58.87 59.38 2a7y n SER 34 Cb 0.00 -2.97 0.14 0.00 -0.26 0.00 0.00 64.21 61.12 2a7y n SER 34 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2a7y s PRO 35 N -4.45 1.41 0.91 4.33 0.02 -1.26 -4.70 135.00 131.27 2a7y s PRO 35 Ca 0.00 1.24 -0.12 0.00 0.02 0.00 0.00 61.00 62.14 2a7y s PRO 35 Cb 0.00 -1.79 0.19 0.00 0.02 0.00 0.00 34.50 32.92 2a7y s PRO 35 CO 0.00 -2.26 1.25 -1.25 -0.33 0.00 0.00 177.00 174.41 2a7y s PRO 36 N -4.78 0.78 0.26 5.54 0.04 -1.26 -5.03 135.00 130.55 2a7y s PRO 36 Ca 0.64 -0.67 0.02 0.00 0.04 0.00 0.00 61.00 61.03 2a7y s PRO 36 Cb -0.20 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2a7y s PRO 36 CO 0.57 -2.25 0.18 0.71 0.04 0.00 0.00 177.00 176.25 2a7y s TYR 37 N -3.72 1.44 -0.11 0.56 2.02 -0.96 -4.48 117.35 112.10 2a7y s TYR 37 Ca 0.73 -1.45 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 2a7y s TYR 37 Cb -0.03 -0.69 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2a7y s TYR 37 CO 0.51 -0.66 0.05 0.08 -1.57 0.00 0.00 175.55 173.96 2a7y s VAL 38 N -3.82 0.15 0.23 0.71 1.01 -1.00 -2.14 120.40 115.53 2a7y s VAL 38 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2a7y s VAL 38 Cb 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2a7y s VAL 38 CO 0.18 0.01 0.14 0.54 0.00 0.00 0.00 175.10 175.97 2a7y s VAL 39 N 2.05 0.11 -0.04 2.92 0.11 0.13 -1.70 120.40 123.98 2a7y s VAL 39 Ca 0.03 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.07 2a7y s VAL 39 Cb -0.14 -2.52 0.03 0.00 -1.53 0.00 0.00 36.38 32.22 2a7y s VAL 39 CO -0.06 0.00 0.03 -0.60 -3.33 0.00 0.00 175.10 171.14 2a7y s ARG 40 N -4.05 0.14 -1.17 1.54 3.52 -0.27 -0.41 118.95 118.26 2a7y s ARG 40 Ca 0.39 0.23 -0.21 0.00 -0.13 0.00 0.00 55.73 56.01 2a7y s ARG 40 Cb 0.07 -0.55 0.05 0.00 -1.56 0.00 0.00 34.95 32.95 2a7y s ARG 40 CO 0.14 -0.26 1.64 -1.58 -0.81 0.00 0.00 175.30 174.44 2a7y s TRP 41 N 1.71 2.59 0.01 5.12 0.52 -0.36 -2.25 118.94 126.27 2a7y s TRP 41 Ca -0.01 -1.10 -0.05 0.00 0.02 0.00 0.00 56.10 54.96 2a7y s TRP 41 Cb -0.13 -4.66 -0.03 0.00 -1.15 0.00 0.00 33.47 27.50 2a7y s TRP 41 CO -0.03 -1.82 1.07 -0.07 0.02 0.00 0.00 176.95 176.11 2a7y h LEU 42 N 13.18 -0.16 -1.16 2.99 3.38 -1.92 0.88 115.31 132.50 2a7y h LEU 42 Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2a7y h LEU 42 Cb 0.94 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2a7y h LEU 42 CO 1.42 -0.11 0.53 -0.37 0.09 0.00 0.00 178.44 180.00 2a7y h VAL 43 N -0.19 1.22 0.08 1.22 -1.51 -1.92 -0.98 116.25 114.17 2a7y h VAL 43 Ca -0.02 -0.42 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2a7y h VAL 43 Cb 0.15 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.32 2a7y h VAL 43 CO 0.03 0.22 -0.04 0.78 -1.23 0.00 0.00 177.57 177.33 2a7y h ASN 44 N 1.13 -0.10 0.00 4.19 2.35 -1.87 -3.49 115.58 117.80 2a7y h ASN 44 Ca 0.30 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2a7y h ASN 44 Cb -0.11 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2a7y h ASN 44 CO -0.06 -0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.29 2a7y n GLY 45 N -1.06 0.73 3.21 2.83 0.00 0.29 -5.10 105.19 106.09 2a7y n GLY 45 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.75 1.17 -0.06 1.61 3.76 -0.15 -5.00 115.29 115.86 2a7y s HIS 46 Ca 0.00 -1.32 -0.02 0.00 -0.15 0.00 0.00 55.06 53.57 2a7y s HIS 46 Cb 0.00 -0.60 0.03 0.00 1.11 0.00 0.00 32.58 33.13 2a7y s HIS 46 CO 0.00 -0.57 0.05 -2.00 -0.85 0.00 0.00 174.74 171.37 2a7y s GLU 47 N -4.12 0.10 0.32 1.40 -6.30 -1.26 -1.22 118.70 107.62 2a7y s GLU 47 Ca 0.36 0.27 0.07 0.00 -2.50 0.00 0.00 54.97 53.18 2a7y s GLU 47 Cb 0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 34.13 33.44 2a7y s GLU 47 CO 0.11 -0.35 0.26 -2.37 0.02 0.00 0.00 175.26 172.93 2a7y n THR 48 N 5.26 0.00 -3.66 -1.70 5.66 0.45 -5.00 114.28 115.29 2a7y n THR 48 Ca -0.04 -2.34 -0.25 0.00 -3.05 0.00 0.00 64.05 58.37 2a7y n THR 48 Cb 0.50 1.15 -0.17 0.00 -1.55 0.00 0.00 70.33 70.26 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 -3.29 0.07 0.34 1.09 2.01 -1.26 -0.70 115.64 113.91 2a7y s THR 49 Ca 0.37 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.34 2a7y s THR 49 Cb 0.02 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 2a7y s THR 49 CO 0.26 -0.14 0.27 1.33 -0.69 0.00 0.00 174.62 175.65 2a7y n VAL 50 N 5.23 0.00 -3.63 3.82 0.24 -0.91 -4.96 118.33 118.12 2a7y n VAL 50 Ca -0.07 -2.45 -0.27 0.00 -2.04 0.00 0.00 64.34 59.52 2a7y n VAL 50 Cb 0.49 1.18 -0.17 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.41 0.00 6.34 1.51 -1.26 -2.26 117.35 118.75 2a7y s TYR 51 Ca 0.38 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2a7y s TYR 51 Cb 0.02 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 2a7y s TYR 51 CO 0.27 -0.58 0.00 -0.35 -1.11 0.00 0.00 175.55 173.78 2a7y n PRO 52 N 5.22 -0.41 -0.58 -1.71 -0.04 -1.26 -5.04 135.00 131.18 2a7y n PRO 52 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2a7y n PRO 52 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 3.66 1.72 1.76 0.55 0.00 -1.26 -4.98 105.19 106.63 2a7y n GLY 53 Ca 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.86 4.86 -1.87 1.61 7.64 -1.26 -3.56 113.62 119.18 2a7y n SER 54 Ca 0.00 -2.89 -0.15 0.00 1.01 0.00 0.00 58.87 56.83 2a7y n SER 54 Cb 0.00 -0.68 0.05 0.00 -1.01 0.00 0.00 64.21 62.57 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 0.31 3.90 -4.75 6.43 2.03 -1.26 -5.03 116.55 118.18 2a7y n ASP 55 Ca 0.28 -3.52 -0.41 0.00 0.52 0.00 0.00 54.79 51.66 2a7y n ASP 55 Cb 1.14 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 41.13 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7y s ALA 56 N -3.47 3.60 0.35 -1.67 0.00 -1.23 -3.78 121.76 115.56 2a7y s ALA 56 Ca 0.46 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.79 2a7y s ALA 56 Cb 0.39 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2a7y s ALA 56 CO 0.01 -0.71 0.27 0.08 0.00 0.00 0.00 175.76 175.41 2a7y s VAL 57 N -0.14 0.06 -0.01 0.00 1.01 0.56 -4.95 120.40 116.93 2a7y s VAL 57 Ca 0.58 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.56 2a7y s VAL 57 Cb -0.41 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2a7y s VAL 57 CO 0.44 0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 174.84 2a7y s VAL 58 N -3.36 0.18 0.31 2.92 1.01 -1.25 -2.34 120.40 117.87 2a7y s VAL 58 Ca 0.38 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.39 2a7y s VAL 58 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 2a7y s VAL 58 CO 0.27 0.09 0.23 0.68 0.00 0.00 0.00 175.10 176.37 2a7y s VAL 59 N 0.36 0.08 0.00 2.92 -7.23 0.14 -4.94 120.40 111.73 2a7y s VAL 59 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2a7y s VAL 59 Cb -0.06 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2a7y s VAL 59 CO -0.01 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.85 2a7y n THR 60 N -0.59 0.00 -0.16 5.32 5.66 -1.26 -1.54 114.28 121.71 2a7y n THR 60 Ca 0.05 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.97 2a7y n THR 60 Cb 0.63 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.59 -0.27 1.79 0.00 -1.99 -2.08 119.26 118.30 2a7y h ALA 61 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2a7y h ALA 61 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2a7y h ALA 61 CO 0.00 0.06 -0.30 1.79 0.00 0.00 0.00 179.25 180.80 2a7y h THR 62 N 0.63 1.31 0.00 0.00 1.35 -2.02 -2.17 112.91 112.00 2a7y h THR 62 Ca 0.17 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2a7y h THR 62 Cb -0.04 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2a7y h THR 62 CO -0.03 0.47 0.00 -0.33 -0.25 0.00 0.00 175.52 175.38 2a7y h GLU 63 N 0.42 0.00 0.14 4.72 4.39 -1.93 -3.05 114.58 119.28 2a7y h GLU 63 Ca 0.04 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.52 2a7y h GLU 63 Cb 0.88 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.54 2a7y h GLU 63 CO 0.07 0.00 -1.04 1.25 -1.16 0.00 0.00 179.01 178.14 2a7y h HIS 64 N 0.00 0.55 0.00 4.33 -0.00 -0.71 -3.31 115.15 116.01 2a7y h HIS 64 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 2a7y h HIS 64 Cb 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 2a7y h HIS 64 CO 0.00 1.40 0.00 0.00 -0.00 0.00 0.00 177.93 179.33 2a7y n ALA 65 N -2.76 -0.32 0.11 5.26 0.00 -1.15 -0.42 120.51 121.24 2a7y n ALA 65 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2a7y n ALA 65 Cb 0.87 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.33 -0.78 0.00 4.11 -1.81 -2.71 114.58 113.06 2a7y h GLU 66 Ca 0.00 0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.47 2a7y h GLU 66 Cb 0.00 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2a7y h GLU 66 CO 0.00 0.03 0.51 0.00 0.07 0.00 0.00 179.01 179.62 2a7y h ALA 67 N -0.35 1.01 -0.20 1.06 0.00 -1.64 -2.35 119.26 116.79 2a7y h ALA 67 Ca -0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2a7y h ALA 67 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2a7y h ALA 67 CO 0.06 0.37 -0.49 1.49 0.00 0.00 0.00 179.25 180.68 2a7y h GLU 68 N 1.03 0.53 0.16 0.00 4.81 -0.82 0.15 114.58 120.45 2a7y h GLU 68 Ca 0.30 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2a7y h GLU 68 Cb -0.08 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2a7y h GLU 68 CO -0.08 0.90 -0.44 -0.22 -0.73 0.00 0.00 179.01 178.45 2a7y h LYS 69 N 0.42 -0.65 0.18 1.92 1.63 -1.08 0.15 116.57 119.14 2a7y h LYS 69 Ca 0.02 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2a7y h LYS 69 Cb 1.01 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2a7y h LYS 69 CO 0.09 -0.43 -0.09 -0.09 -3.45 0.00 0.00 179.45 175.48 2a7y h ARG 70 N -0.67 -0.24 -0.03 1.90 2.43 -1.46 -2.82 114.38 113.50 2a7y h ARG 70 Ca -0.01 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2a7y h ARG 70 Cb 0.65 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2a7y h ARG 70 CO -0.20 0.10 -0.43 0.00 -1.51 0.00 0.00 179.97 177.93 2a7y h ALA 71 N 0.12 1.23 -0.35 2.80 0.00 -0.72 -2.13 119.26 120.22 2a7y h ALA 71 Ca -0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2a7y h ALA 71 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2a7y h ALA 71 CO 0.04 0.56 -0.34 0.00 0.00 0.00 0.00 179.25 179.51 2a7y h ALA 72 N 1.51 0.51 -0.88 0.00 0.00 -0.68 0.16 119.26 119.89 2a7y h ALA 72 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 54.91 54.66 2a7y h ALA 72 Cb 0.79 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2a7y h ALA 72 CO 0.06 0.58 0.58 0.00 0.00 0.00 0.00 179.25 180.46 2a7y h ALA 73 N 0.75 2.10 0.01 0.00 0.00 -1.13 -2.25 119.26 118.75 2a7y h ALA 73 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2a7y h ALA 73 Cb 0.93 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2a7y h ALA 73 CO 0.09 -0.37 -0.30 -0.09 0.00 0.00 0.00 179.25 178.57 2a7y h ARG 74 N 0.47 0.03 -0.74 0.00 2.43 -1.10 -3.17 114.38 112.31 2a7y h ARG 74 Ca 0.45 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.72 2a7y h ARG 74 Cb 1.02 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 30.45 2a7y h ARG 74 CO -0.18 1.02 -0.19 0.00 -1.51 0.00 0.00 179.97 179.11 2a7y h ALA 75 N -0.08 0.46 -0.54 2.80 0.00 -0.32 0.01 119.26 121.59 2a7y h ALA 75 Ca -0.08 0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 2a7y h ALA 75 Cb 1.12 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 2a7y h ALA 75 CO -0.02 -0.43 0.14 0.41 0.00 0.00 0.00 179.25 179.35 2a7y n GLY 76 N -1.49 4.04 0.21 0.00 0.00 -0.88 -4.34 105.19 102.73 2a7y n GLY 76 Ca 0.10 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 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 2.07 0.92 -0.24 1.61 6.17 -0.95 -3.39 115.15 121.33 2a7y h HIS 77 Ca 0.20 -0.34 -0.23 0.00 0.71 0.00 0.00 60.37 60.70 2a7y h HIS 77 Cb 1.99 -0.17 -0.23 0.00 2.52 0.00 0.00 27.41 31.52 2a7y h HIS 77 CO 1.04 1.13 -0.59 0.00 0.71 0.00 0.00 177.93 180.22 2a7y n ALA 78 N -2.55 2.32 -0.10 5.26 0.00 -1.26 -4.99 120.51 119.19 2a7y n ALA 78 Ca -0.06 -1.75 -0.06 0.00 0.00 0.00 0.00 53.44 51.58 2a7y n ALA 78 Cb 0.59 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y h ALA 79 N 1.98 0.24 0.00 0.00 0.00 -1.77 -3.53 119.26 116.17 2a7y h ALA 79 Ca -0.28 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a7y h ALA 79 Cb 1.27 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2a7y h ALA 79 CO 0.03 -0.45 0.00 2.41 0.00 0.00 0.00 179.25 181.24