#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 0.21 -0.05 3.17 3.76 -1.26 -4.01 115.29 117.12 2a7y s HIS 2 Ca 0.00 0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.01 2a7y s HIS 2 Cb 0.00 -0.49 0.03 0.00 1.11 0.00 0.00 32.58 33.23 2a7y s HIS 2 CO 0.00 -0.19 0.05 0.00 -0.85 0.00 0.00 174.74 173.75 2a7y s ALA 3 N 1.79 0.33 0.30 -1.40 0.00 -1.26 -4.76 121.76 116.76 2a7y s ALA 3 Ca 0.01 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2a7y s ALA 3 Cb -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2a7y s ALA 3 CO -0.03 -0.48 0.22 0.15 0.00 0.00 0.00 175.76 175.62 2a7y s LYS 4 N 2.11 1.61 0.68 0.00 1.02 -1.26 -4.71 119.74 119.19 2a7y s LYS 4 Ca 0.05 -1.92 -0.13 0.00 0.02 0.00 0.00 55.97 53.98 2a7y s LYS 4 Cb -0.12 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.40 2a7y s LYS 4 CO -0.03 -0.55 1.09 0.54 -0.92 0.00 0.00 175.35 175.48 2a7y s VAL 5 N -3.63 3.45 0.00 3.17 0.11 -1.25 -3.51 120.40 118.74 2a7y s VAL 5 Ca 0.39 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 2a7y s VAL 5 Cb 0.04 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 2a7y s VAL 5 CO 0.22 -0.49 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 2a7y n GLY 6 N -0.94 0.50 2.91 6.54 0.00 -1.03 -4.98 105.19 108.20 2a7y n GLY 6 Ca 0.09 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 0.47 -0.47 -3.95 1.61 9.92 -1.23 -5.00 116.55 117.91 2a7y n ASP 7 Ca 0.00 -2.98 -0.17 0.00 -0.53 0.00 0.00 54.79 51.11 2a7y n ASP 7 Cb 0.00 1.46 -0.09 0.00 -0.64 0.00 0.00 41.12 41.85 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 -3.20 1.52 0.04 1.24 2.02 -0.42 -1.19 117.35 117.37 2a7y s TYR 8 Ca 0.34 -1.41 0.01 0.00 -0.37 0.00 0.00 57.07 55.64 2a7y s TYR 8 Cb 0.02 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 2a7y s TYR 8 CO 0.24 -0.60 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.40 2a7y s LEU 9 N -3.32 2.33 0.03 -1.29 0.20 0.37 -1.67 118.68 115.32 2a7y s LEU 9 Ca 0.37 -0.67 0.00 0.00 0.69 0.00 0.00 54.13 54.53 2a7y s LEU 9 Cb 0.05 0.01 -0.02 0.00 -0.43 0.00 0.00 46.19 45.80 2a7y s LEU 9 CO 0.18 -0.34 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.16 2a7y s VAL 10 N -2.16 0.25 0.27 1.68 1.01 0.21 -2.13 120.40 119.52 2a7y s VAL 10 Ca -0.06 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.86 2a7y s VAL 10 Cb -0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 2a7y s VAL 10 CO -0.03 -0.55 -0.03 0.54 0.00 0.00 0.00 175.10 175.03 2a7y s VAL 11 N -1.85 1.41 -0.29 2.92 0.11 -0.41 -2.09 120.40 120.20 2a7y s VAL 11 Ca -0.10 -2.08 -0.29 0.00 -2.93 0.00 0.00 61.98 56.58 2a7y s VAL 11 Cb -0.07 -2.45 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 2a7y s VAL 11 CO -0.02 -0.28 1.58 -1.59 -3.33 0.00 0.00 175.10 171.46 2a7y s LYS 12 N -3.78 3.67 0.08 1.54 -2.85 -1.26 -2.41 119.74 114.72 2a7y s LYS 12 Ca 0.30 1.43 -0.25 0.00 -1.00 0.00 0.00 55.97 56.45 2a7y s LYS 12 Cb 0.05 -4.05 -0.16 0.00 -2.06 0.00 0.00 37.83 31.61 2a7y s LYS 12 CO 0.11 -1.45 1.67 0.78 0.10 0.00 0.00 175.35 176.56 2a7y h GLY 13 N 12.13 -0.15 0.00 0.59 0.00 -1.81 -3.40 103.07 110.42 2a7y h GLY 13 Ca -0.32 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2a7y h GLY 13 CO 1.03 -0.06 -0.39 -0.37 0.00 0.00 0.00 176.54 176.75 2a7y n THR 14 N -5.13 0.00 -3.90 4.70 5.66 -1.26 -5.08 114.28 109.27 2a7y n THR 14 Ca -0.08 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.83 2a7y n THR 14 Cb 0.11 -0.18 -0.02 0.00 -1.55 0.00 0.00 70.33 68.68 2a7y n THR 14 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a7y s THR 15 N -1.17 0.00 0.57 1.09 2.01 -1.26 -5.00 115.64 111.87 2a7y s THR 15 Ca 0.00 -1.14 0.28 0.00 0.31 0.00 0.00 61.69 61.14 2a7y s THR 15 Cb 0.00 -2.30 0.34 0.00 0.01 0.00 0.00 72.50 70.55 2a7y s THR 15 CO 0.00 0.00 2.23 0.74 -0.69 0.00 0.00 174.62 176.90 2a7y h THR 16 N 2.07 0.58 -2.40 -0.82 2.02 -1.93 -3.40 112.91 109.02 2a7y h THR 16 Ca -0.24 -0.05 -0.56 0.00 0.77 0.00 0.00 66.41 66.33 2a7y h THR 16 Cb 1.25 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2a7y h THR 16 CO 0.31 0.01 1.27 -1.61 0.37 0.00 0.00 175.52 175.87 2a7y s GLU 17 N -4.63 3.73 -0.09 6.66 2.02 -1.26 -3.95 118.70 121.18 2a7y s GLU 17 Ca -0.05 2.11 -0.05 0.00 0.02 0.00 0.00 54.97 57.00 2a7y s GLU 17 Cb 0.15 -4.18 0.02 0.00 0.10 0.00 0.00 34.13 30.23 2a7y s GLU 17 CO 0.56 -1.40 0.10 -2.13 0.02 0.00 0.00 175.26 172.41 2a7y n ARG 18 N 7.92 -2.02 -3.00 1.61 0.63 -1.26 -4.73 116.66 115.81 2a7y n ARG 18 Ca 0.22 1.80 -0.40 0.00 -0.92 0.00 0.00 57.85 58.55 2a7y n ARG 18 Cb 0.44 -2.83 -0.05 0.00 0.45 0.00 0.00 32.46 30.47 2a7y n ARG 18 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2a7y s HIS 19 N -0.33 3.46 0.29 -0.14 -3.43 -1.25 -4.10 115.29 109.78 2a7y s HIS 19 Ca -0.12 1.16 0.02 0.00 -0.80 0.00 0.00 55.06 55.32 2a7y s HIS 19 Cb 0.01 -2.89 -0.05 0.00 -1.43 0.00 0.00 32.58 28.22 2a7y s HIS 19 CO 0.36 -0.12 0.11 0.34 -2.00 0.00 0.00 174.74 173.43 2a7y s ASP 20 N 1.06 1.59 -0.07 7.38 -1.08 -1.01 -4.97 116.67 119.57 2a7y s ASP 20 Ca 0.35 -1.45 -0.05 0.00 -0.52 0.00 0.00 52.55 50.88 2a7y s ASP 20 Cb -0.17 0.21 0.02 0.00 -1.46 0.00 0.00 42.92 41.52 2a7y s ASP 20 CO 0.14 -0.77 0.11 0.00 0.52 0.00 0.00 175.17 175.16 2a7y n GLN 21 N -0.57 -3.69 -4.36 4.34 3.00 -1.23 -1.29 117.38 113.58 2a7y n GLN 21 Ca -0.01 2.85 -0.22 0.00 -0.01 0.00 0.00 57.00 59.62 2a7y n GLN 21 Cb 0.66 -3.91 -0.13 0.00 0.00 0.00 0.00 30.24 26.86 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2a7y s HIS 22 N -0.48 1.46 0.33 1.08 3.76 -0.30 -2.98 115.29 118.17 2a7y s HIS 22 Ca -0.12 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.24 2a7y s HIS 22 Cb 0.01 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.89 2a7y s HIS 22 CO 0.33 0.09 0.70 0.00 -0.85 0.00 0.00 174.74 175.01 2a7y s ALA 23 N -1.00 -0.68 -0.18 -1.40 0.00 -0.91 -3.51 121.76 114.09 2a7y s ALA 23 Ca 0.03 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2a7y s ALA 23 Cb -0.09 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 2a7y s ALA 23 CO 0.02 -0.97 0.19 -2.00 0.00 0.00 0.00 175.76 173.00 2a7y s GLU 24 N -3.07 4.16 -0.48 0.00 2.12 -0.66 -0.48 118.70 120.28 2a7y s GLU 24 Ca 0.16 -0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.18 2a7y s GLU 24 Cb -0.04 -3.40 0.04 0.00 0.26 0.00 0.00 34.13 30.98 2a7y s GLU 24 CO 0.11 0.32 0.73 0.42 -0.54 0.00 0.00 175.26 176.29 2a7y s ILE 25 N 0.28 4.72 -0.10 -3.70 1.01 -0.34 -2.00 121.20 121.06 2a7y s ILE 25 Ca 0.12 0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.93 2a7y s ILE 25 Cb -0.12 -4.32 -0.16 0.00 0.01 0.00 0.00 42.46 37.87 2a7y s ILE 25 CO 0.01 -0.78 0.08 2.30 0.00 0.00 0.00 174.94 176.55 2a7y n ILE 26 N 5.92 0.71 -4.02 2.92 -6.64 -1.17 -2.47 119.36 114.61 2a7y n ILE 26 Ca -0.01 -0.48 -0.31 0.00 -1.77 0.00 0.00 62.75 60.18 2a7y n ILE 26 Cb 0.47 -0.54 -0.16 0.00 -1.44 0.00 0.00 39.64 37.97 2a7y n ILE 26 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2a7y s GLU 27 N -2.39 2.21 -0.33 6.28 2.02 -1.09 -4.80 118.70 120.60 2a7y s GLU 27 Ca -0.06 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.07 2a7y s GLU 27 Cb 0.04 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 2a7y s GLU 27 CO 0.50 -0.33 0.28 0.08 0.02 0.00 0.00 175.26 175.81 2a7y s VAL 28 N 1.42 5.25 -0.71 2.63 1.01 -1.26 -1.81 120.40 126.93 2a7y s VAL 28 Ca 0.02 -0.04 0.24 0.00 0.00 0.00 0.00 61.98 62.20 2a7y s VAL 28 Cb -0.15 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2a7y s VAL 28 CO -0.10 0.01 1.37 0.54 0.00 0.00 0.00 175.10 176.92 2a7y n ARG 29 N 5.20 0.24 -3.81 2.72 5.12 -1.26 -4.55 116.66 120.31 2a7y n ARG 29 Ca -0.11 0.07 -0.30 0.00 -1.93 0.00 0.00 57.85 55.58 2a7y n ARG 29 Cb 0.50 -1.65 -0.15 0.00 -1.16 0.00 0.00 32.46 29.99 2a7y n ARG 29 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a7y s SER 30 N -4.00 3.87 0.41 0.55 0.15 -1.26 -5.01 113.70 108.41 2a7y s SER 30 Ca 0.07 -1.44 0.16 0.00 0.70 0.00 0.00 55.95 55.44 2a7y s SER 30 Cb 0.14 -0.97 1.04 0.00 -1.71 0.00 0.00 66.02 64.52 2a7y s SER 30 CO 0.71 -0.35 1.87 0.00 1.20 0.00 0.00 173.24 176.67 2a7y h ALA 31 N 8.03 2.13 0.16 5.45 0.00 -1.92 -2.59 119.26 130.52 2a7y h ALA 31 Ca -0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2a7y h ALA 31 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2a7y h ALA 31 CO 0.44 -0.40 -0.07 0.22 0.00 0.00 0.00 179.25 179.44 2a7y h ASP 32 N 0.45 -0.18 0.00 0.00 3.58 -1.92 -3.46 116.42 114.89 2a7y h ASP 32 Ca 0.45 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2a7y h ASP 32 Cb 1.04 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2a7y h ASP 32 CO -0.17 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 2a7y n GLY 33 N 1.16 -0.66 3.38 -0.78 0.00 -0.98 -4.00 105.19 103.31 2a7y n GLY 33 Ca -0.04 0.46 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.44 0.80 1.61 0.01 -1.26 -4.53 113.70 109.90 2a7y s SER 34 Ca 0.00 0.49 -0.10 0.00 1.31 0.00 0.00 55.95 57.64 2a7y s SER 34 Cb 0.00 0.52 0.07 0.00 0.21 0.00 0.00 66.02 66.82 2a7y s SER 34 CO 0.00 -0.47 1.10 -2.84 0.41 0.00 0.00 173.24 171.43 2a7y s PRO 35 N -1.03 2.00 0.82 12.44 0.02 -1.26 -4.15 135.00 143.84 2a7y s PRO 35 Ca -0.10 1.21 -0.05 0.00 0.02 0.00 0.00 61.00 62.07 2a7y s PRO 35 Cb -0.03 -1.87 0.17 0.00 0.02 0.00 0.00 34.50 32.79 2a7y s PRO 35 CO 0.06 -1.83 1.12 -1.25 -0.33 0.00 0.00 177.00 174.77 2a7y s PRO 36 N -4.87 1.18 0.13 5.54 0.04 -1.26 -4.95 135.00 130.82 2a7y s PRO 36 Ca 0.62 -1.01 0.04 0.00 0.04 0.00 0.00 61.00 60.69 2a7y s PRO 36 Cb -0.18 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2a7y s PRO 36 CO 0.56 -1.87 -0.10 0.71 0.04 0.00 0.00 177.00 176.34 2a7y s TYR 37 N -3.42 1.23 -0.33 0.56 2.02 -1.07 -4.17 117.35 112.18 2a7y s TYR 37 Ca 0.70 -0.72 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 2a7y s TYR 37 Cb -0.04 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2a7y s TYR 37 CO 0.48 0.07 0.28 0.08 -1.57 0.00 0.00 175.55 174.89 2a7y s VAL 38 N -3.05 5.24 -0.03 0.71 1.01 -0.75 -1.82 120.40 121.71 2a7y s VAL 38 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2a7y s VAL 38 Cb 0.01 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2a7y s VAL 38 CO 0.01 0.01 -0.07 -0.69 0.00 0.00 0.00 175.10 174.36 2a7y s VAL 39 N 1.85 0.66 -0.01 2.92 1.01 -0.60 -2.69 120.40 123.54 2a7y s VAL 39 Ca 0.09 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2a7y s VAL 39 Cb -0.17 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2a7y s VAL 39 CO 0.11 0.23 -0.09 0.00 0.00 0.00 0.00 175.10 175.35 2a7y s ARG 40 N 0.50 2.52 -0.42 2.72 1.70 -0.85 -1.00 118.95 124.12 2a7y s ARG 40 Ca -0.07 -0.72 -0.21 0.00 -0.47 0.00 0.00 55.73 54.26 2a7y s ARG 40 Cb -0.11 -2.46 0.02 0.00 -0.57 0.00 0.00 34.95 31.83 2a7y s ARG 40 CO 0.01 0.61 0.69 -1.58 -1.08 0.00 0.00 175.30 173.94 2a7y s TRP 41 N -0.91 3.06 -0.12 5.89 0.52 -0.03 -1.66 118.94 125.69 2a7y s TRP 41 Ca 0.15 0.10 -0.06 0.00 0.02 0.00 0.00 56.10 56.31 2a7y s TRP 41 Cb -0.11 -3.40 -0.04 0.00 -1.15 0.00 0.00 33.47 28.77 2a7y s TRP 41 CO 0.05 -0.85 0.06 -0.07 0.02 0.00 0.00 176.95 176.15 2a7y h LEU 42 N 9.76 0.00 -0.02 2.99 3.38 -1.95 0.42 115.31 129.89 2a7y h LEU 42 Ca -0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2a7y h LEU 42 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2a7y h LEU 42 CO 0.90 0.66 -0.02 1.33 0.09 0.00 0.00 178.44 181.40 2a7y n VAL 43 N -4.71 0.00 -0.14 1.22 0.24 -1.26 -2.75 118.33 110.93 2a7y n VAL 43 Ca -0.04 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 61.99 2a7y n VAL 43 Cb 0.14 -0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 31.96 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 -1.25 1.96 0.00 -1.34 3.02 -1.26 -5.00 115.26 111.40 2a7y n ASN 44 Ca 0.14 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2a7y n ASN 44 Cb 0.24 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 1.53 0.77 3.61 7.41 0.00 -0.53 -5.12 105.19 112.87 2a7y n GLY 45 Ca -0.52 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.11 -0.31 -0.07 1.61 4.02 0.03 -4.97 115.29 115.48 2a7y s HIS 46 Ca 0.00 0.05 -0.01 0.00 1.02 0.00 0.00 55.06 56.12 2a7y s HIS 46 Cb 0.00 0.60 0.03 0.00 -1.02 0.00 0.00 32.58 32.19 2a7y s HIS 46 CO 0.00 -0.83 -0.01 -2.00 1.02 0.00 0.00 174.74 172.92 2a7y s GLU 47 N -3.48 0.72 0.35 1.40 2.56 -1.26 -0.85 118.70 118.13 2a7y s GLU 47 Ca 0.07 0.05 0.04 0.00 0.00 0.00 0.00 54.97 55.13 2a7y s GLU 47 Cb -0.02 -1.02 -0.02 0.00 2.00 0.00 0.00 34.13 35.07 2a7y s GLU 47 CO -0.04 -0.28 0.37 0.25 -0.56 0.00 0.00 175.26 175.00 2a7y n THR 48 N 5.01 0.00 -3.98 -1.70 -2.24 -0.17 -4.99 114.28 106.20 2a7y n THR 48 Ca -0.09 -2.25 -0.31 0.00 -2.27 0.00 0.00 64.05 59.13 2a7y n THR 48 Cb 0.50 1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 69.78 2a7y n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a7y s THR 49 N -3.18 1.75 -0.11 4.28 2.01 -1.26 -1.56 115.64 117.57 2a7y s THR 49 Ca 0.37 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 2a7y s THR 49 Cb 0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2a7y s THR 49 CO 0.26 -0.07 0.06 -0.69 -0.69 0.00 0.00 174.62 173.49 2a7y s VAL 50 N 1.30 4.79 -0.50 3.82 1.01 -0.76 -4.92 120.40 125.14 2a7y s VAL 50 Ca -0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 2a7y s VAL 50 Cb -0.19 -3.06 0.12 0.00 0.00 0.00 0.00 36.38 33.26 2a7y s VAL 50 CO -0.06 0.60 0.39 -0.31 0.00 0.00 0.00 175.10 175.72 2a7y s TYR 51 N -0.83 3.40 0.61 5.22 1.51 -1.26 -2.58 117.35 123.41 2a7y s TYR 51 Ca 0.13 -1.79 -0.08 0.00 -1.01 0.00 0.00 57.07 54.32 2a7y s TYR 51 Cb -0.12 -3.56 -0.01 0.00 -0.11 0.00 0.00 41.96 38.17 2a7y s TYR 51 CO 0.03 -1.00 0.96 -1.25 -1.11 0.00 0.00 175.55 173.18 2a7y s PRO 52 N 1.35 3.12 0.83 -1.71 0.04 -1.26 -4.49 135.00 132.87 2a7y s PRO 52 Ca 0.06 0.28 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 2a7y s PRO 52 Cb -0.26 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.19 2a7y s PRO 52 CO -0.00 -0.69 1.19 0.20 0.04 0.00 0.00 177.00 177.73 2a7y s GLY 53 N -4.27 1.63 0.53 0.56 0.00 -1.26 -4.88 107.32 99.63 2a7y s GLY 53 Ca 0.54 -0.78 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 2a7y s GLY 53 CO 0.48 -0.25 1.35 -0.56 0.00 0.00 0.00 173.10 174.13 2a7y s SER 54 N -4.63 5.40 -0.33 1.64 0.01 -1.26 -3.86 113.70 110.67 2a7y s SER 54 Ca 0.64 2.76 -0.01 0.00 1.31 0.00 0.00 55.95 60.64 2a7y s SER 54 Cb -0.10 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 2a7y s SER 54 CO 0.49 -1.48 0.30 0.47 0.41 0.00 0.00 173.24 173.43 2a7y n ASP 55 N -0.88 -3.77 -4.67 2.44 8.00 -1.26 -4.56 116.55 111.85 2a7y n ASP 55 Ca 0.09 -0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 2a7y n ASP 55 Cb 0.45 -2.27 -0.05 0.00 -0.02 0.00 0.00 41.12 39.23 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 -3.09 3.51 0.22 2.24 0.00 -1.25 -4.30 121.76 119.08 2a7y s ALA 56 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.01 2a7y s ALA 56 Cb -0.01 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 2a7y s ALA 56 CO 0.26 -0.53 0.36 0.08 0.00 0.00 0.00 175.76 175.93 2a7y s VAL 57 N 1.85 5.26 -0.21 0.00 1.01 -0.89 -4.83 120.40 122.59 2a7y s VAL 57 Ca 0.34 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2a7y s VAL 57 Cb -0.16 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2a7y s VAL 57 CO 0.12 -0.26 0.01 0.68 0.00 0.00 0.00 175.10 175.65 2a7y s VAL 58 N -1.93 3.98 0.42 2.92 -7.23 -1.26 -0.62 120.40 116.68 2a7y s VAL 58 Ca 0.35 -0.30 0.05 0.00 -1.81 0.00 0.00 61.98 60.27 2a7y s VAL 58 Cb -0.10 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 2a7y s VAL 58 CO 0.30 0.42 0.02 0.68 -0.31 0.00 0.00 175.10 176.21 2a7y s VAL 59 N 1.10 1.58 0.22 1.32 -7.23 -0.67 -4.92 120.40 111.80 2a7y s VAL 59 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2a7y s VAL 59 Cb -0.14 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.09 2a7y s VAL 59 CO 0.02 0.00 0.14 0.41 -0.31 0.00 0.00 175.10 175.35 2a7y n THR 60 N -0.99 0.00 -0.21 5.32 -1.04 -1.26 -1.29 114.28 114.80 2a7y n THR 60 Ca -0.08 -0.90 0.01 0.00 -2.04 0.00 0.00 64.05 61.05 2a7y n THR 60 Cb 0.67 -0.23 0.12 0.00 -1.82 0.00 0.00 70.33 69.08 2a7y n THR 60 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a7y h ALA 61 N 0.78 0.81 0.70 2.41 0.00 -1.98 -2.80 119.26 119.18 2a7y h ALA 61 Ca -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2a7y h ALA 61 Cb 0.51 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2a7y h ALA 61 CO 0.23 -0.24 -0.33 1.79 0.00 0.00 0.00 179.25 180.70 2a7y h THR 62 N 0.35 0.00 -0.12 0.00 1.35 -2.02 -2.62 112.91 109.85 2a7y h THR 62 Ca 0.33 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 66.01 2a7y h THR 62 Cb 0.47 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.88 2a7y h THR 62 CO -0.37 0.00 0.11 -0.33 -0.25 0.00 0.00 175.52 174.69 2a7y h GLU 63 N -1.15 0.00 -0.54 4.72 5.08 -1.98 -2.32 114.58 118.38 2a7y h GLU 63 Ca -0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2a7y h GLU 63 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2a7y h GLU 63 CO 0.16 0.00 0.11 1.25 -1.00 0.00 0.00 179.01 179.52 2a7y h HIS 64 N 0.00 0.87 0.06 4.33 2.76 -1.19 -3.20 115.15 118.78 2a7y h HIS 64 Ca 0.06 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2a7y h HIS 64 Cb 0.28 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.99 2a7y h HIS 64 CO 0.00 0.75 -0.03 0.00 -1.30 0.00 0.00 177.93 177.35 2a7y h ALA 65 N 1.31 -0.82 -0.97 5.26 0.00 -1.18 0.14 119.26 123.00 2a7y h ALA 65 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2a7y h ALA 65 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2a7y h ALA 65 CO 0.00 -0.81 0.61 1.05 0.00 0.00 0.00 179.25 180.10 2a7y h GLU 66 N -0.09 1.30 0.00 0.00 -0.00 -1.75 0.85 114.58 114.88 2a7y h GLU 66 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2a7y h GLU 66 Cb 0.06 -0.28 0.00 0.00 -0.00 0.00 0.00 28.75 28.53 2a7y h GLU 66 CO 0.01 0.88 0.00 0.00 -0.00 0.00 0.00 179.01 179.91 2a7y h ALA 67 N 1.35 1.00 -0.08 1.06 0.00 -1.62 -2.81 119.26 118.16 2a7y h ALA 67 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2a7y h ALA 67 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2a7y h ALA 67 CO -0.07 0.00 -0.26 1.49 0.00 0.00 0.00 179.25 180.41 2a7y h GLU 68 N 0.00 0.32 -0.85 0.00 4.81 0.18 0.17 114.58 119.22 2a7y h GLU 68 Ca 0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2a7y h GLU 68 Cb 0.55 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2a7y h GLU 68 CO 0.00 0.86 0.44 1.57 -0.73 0.00 0.00 179.01 181.15 2a7y h LYS 69 N -0.15 1.20 0.00 1.92 5.09 -1.44 0.20 116.57 123.39 2a7y h LYS 69 Ca -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 60.65 60.56 2a7y h LYS 69 Cb 0.89 -0.23 -0.00 0.00 0.10 0.00 0.00 32.23 32.99 2a7y h LYS 69 CO 0.06 0.90 -0.05 -0.09 -2.09 0.00 0.00 179.45 178.18 2a7y h ARG 70 N 1.20 0.00 0.16 0.07 9.65 -1.44 -2.44 114.38 121.58 2a7y h ARG 70 Ca 0.30 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.92 2a7y h ARG 70 Cb 0.07 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2a7y h ARG 70 CO -0.04 0.05 -1.22 0.00 2.80 0.00 0.00 179.97 181.56 2a7y h ALA 71 N 1.95 -0.01 0.00 2.80 0.00 0.16 -2.43 119.26 121.72 2a7y h ALA 71 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 2a7y h ALA 71 Cb 0.26 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2a7y h ALA 71 CO 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2a7y h ALA 72 N 0.06 1.11 0.21 0.00 0.00 -0.47 0.19 119.26 120.35 2a7y h ALA 72 Ca -0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2a7y h ALA 72 Cb 1.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2a7y h ALA 72 CO 0.15 0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.33 2a7y h ALA 73 N 1.98 -0.43 0.00 0.00 0.00 -1.41 -3.39 119.26 116.01 2a7y h ALA 73 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2a7y h ALA 73 Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2a7y h ALA 73 CO 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 2a7y h ARG 74 N -0.64 0.00 0.24 0.00 3.08 -1.16 -3.39 114.38 112.50 2a7y h ARG 74 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2a7y h ARG 74 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2a7y h ARG 74 CO 0.05 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.83 2a7y h ALA 75 N -1.43 -0.32 0.00 0.04 0.00 -0.92 -2.91 119.26 113.73 2a7y h ALA 75 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2a7y h ALA 75 Cb 0.05 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2a7y h ALA 75 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.05 2a7y n GLY 76 N -0.87 2.18 0.00 0.00 0.00 -0.42 -3.13 105.19 102.95 2a7y n GLY 76 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.89 0.00 -3.45 1.61 -0.00 -1.10 -4.91 115.22 108.26 2a7y n HIS 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 2a7y n HIS 77 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.49 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 -1.34 -0.08 -3.55 1.57 0.00 -1.18 -5.13 120.51 110.79 2a7y n ALA 78 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 2a7y n ALA 78 Cb 0.08 0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.51 -0.02 0.00 0.00 0.00 -1.26 -4.79 121.76 114.18 2a7y s ALA 79 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2a7y s ALA 79 Cb -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2a7y s ALA 79 CO 0.02 -1.12 0.47 -2.37 0.00 0.00 0.00 175.76 172.76