#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 -0.00 1.12 3.76 -1.26 -3.90 115.29 115.16 2a7y s HIS 2 Ca 0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2a7y s HIS 2 Cb 0.00 -0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.59 2a7y s HIS 2 CO 0.00 -0.01 -0.02 0.00 -0.85 0.00 0.00 174.74 173.86 2a7y s ALA 3 N -0.11 0.19 0.00 -1.40 0.00 -1.26 -5.00 121.76 114.17 2a7y s ALA 3 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2a7y s ALA 3 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2a7y s ALA 3 CO -0.00 0.04 -0.01 -1.59 0.00 0.00 0.00 175.76 174.20 2a7y s LYS 4 N -0.07 0.12 0.57 0.00 0.00 -1.26 -4.97 119.74 114.13 2a7y s LYS 4 Ca 0.01 -0.09 -0.20 0.00 0.00 0.00 0.00 55.97 55.69 2a7y s LYS 4 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.69 2a7y s LYS 4 CO -0.00 0.02 1.22 0.54 0.00 0.00 0.00 175.35 177.13 2a7y s VAL 5 N -0.14 2.65 -0.07 1.79 0.11 -1.26 -2.90 120.40 120.58 2a7y s VAL 5 Ca -0.01 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2a7y s VAL 5 Cb -0.01 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2a7y s VAL 5 CO -0.00 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2a7y n GLY 6 N 0.51 0.46 2.93 6.54 0.00 0.48 -5.00 105.19 111.11 2a7y n GLY 6 Ca 0.12 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 2a7y n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a7y s ASP 7 N -2.67 0.24 0.01 1.61 -1.08 -1.14 -4.92 116.67 108.71 2a7y s ASP 7 Ca 0.00 -0.22 0.02 0.00 -0.52 0.00 0.00 52.55 51.83 2a7y s ASP 7 Cb 0.00 0.03 -0.01 0.00 -1.46 0.00 0.00 42.92 41.48 2a7y s ASP 7 CO 0.00 -0.11 -0.06 -0.31 0.52 0.00 0.00 175.17 175.21 2a7y s TYR 8 N -0.61 0.54 -0.00 -5.34 2.02 -0.81 -1.42 117.35 111.72 2a7y s TYR 8 Ca -0.06 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2a7y s TYR 8 Cb -0.04 -0.34 -0.00 0.00 -0.40 0.00 0.00 41.96 41.17 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 -0.49 2.00 0.00 -1.29 0.20 0.36 -0.30 118.68 119.17 2a7y s LEU 9 Ca -0.01 -0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.74 2a7y s LEU 9 Cb -0.04 -0.23 -0.00 0.00 -0.43 0.00 0.00 46.19 45.48 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 -0.10 0.14 -0.00 1.68 1.01 -1.06 -1.69 120.40 120.38 2a7y s VAL 10 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2a7y s VAL 10 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 2a7y s VAL 10 CO -0.00 -0.05 -0.03 0.54 0.00 0.00 0.00 175.10 175.56 2a7y s VAL 11 N -0.26 0.25 -0.34 2.92 0.11 -1.24 -0.26 120.40 121.58 2a7y s VAL 11 Ca -0.02 -0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 58.75 2a7y s VAL 11 Cb -0.02 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2a7y s VAL 11 CO -0.00 0.07 0.35 -0.54 -3.33 0.00 0.00 175.10 171.66 2a7y s LYS 12 N -0.05 3.58 -0.62 1.54 1.02 -1.26 -0.33 119.74 123.62 2a7y s LYS 12 Ca 0.01 -0.41 -0.27 0.00 0.02 0.00 0.00 55.97 55.32 2a7y s LYS 12 Cb -0.01 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 2a7y s LYS 12 CO -0.00 -0.51 1.59 0.20 -0.92 0.00 0.00 175.35 175.72 2a7y s GLY 13 N 1.73 0.58 0.00 -3.33 0.00 -1.15 -4.84 107.32 100.30 2a7y s GLY 13 Ca 0.12 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 44.10 2a7y s GLY 13 CO 0.12 3.06 0.86 -0.37 0.00 0.00 0.00 173.10 176.76 2a7y n THR 14 N 6.91 0.00 0.37 0.90 5.66 -1.26 -1.93 114.28 124.94 2a7y n THR 14 Ca 0.14 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.97 2a7y n THR 14 Cb 0.50 -0.54 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 2a7y n THR 14 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2a7y h THR 15 N 0.00 0.00 -0.02 1.09 2.02 -1.93 -3.25 112.91 110.82 2a7y h THR 15 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2a7y h THR 15 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2a7y h THR 15 CO 0.00 0.00 -0.20 0.41 0.37 0.00 0.00 175.52 176.10 2a7y n THR 16 N -5.05 0.00 -1.81 3.16 -1.04 -1.15 -4.96 114.28 103.43 2a7y n THR 16 Ca -0.13 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 61.37 2a7y n THR 16 Cb 0.43 1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 70.28 2a7y n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a7y n GLU 17 N 0.68 -0.85 -3.39 -2.82 1.02 -0.81 -5.02 120.64 109.45 2a7y n GLU 17 Ca 0.11 0.71 -0.22 0.00 -0.02 0.00 0.00 57.16 57.74 2a7y n GLU 17 Cb 0.51 -4.77 0.03 0.00 -0.02 0.00 0.00 31.44 27.19 2a7y n GLU 17 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2a7y s ARG 18 N -3.82 2.28 -0.34 3.49 1.70 -1.22 -4.96 118.95 116.08 2a7y s ARG 18 Ca 0.00 -1.80 -0.13 0.00 -0.47 0.00 0.00 55.73 53.33 2a7y s ARG 18 Cb 0.00 -2.42 -0.02 0.00 -0.57 0.00 0.00 34.95 31.94 2a7y s ARG 18 CO 0.00 -0.76 0.26 -3.38 -1.08 0.00 0.00 175.30 170.33 2a7y s HIS 19 N -2.71 3.23 -0.44 5.89 -3.43 -1.26 -2.95 115.29 113.62 2a7y s HIS 19 Ca 0.50 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.61 2a7y s HIS 19 Cb -0.04 -2.50 0.12 0.00 -1.43 0.00 0.00 32.58 28.72 2a7y s HIS 19 CO 0.32 -0.37 0.18 -0.51 -2.00 0.00 0.00 174.74 172.36 2a7y s ASP 20 N 1.72 4.34 0.00 7.38 1.01 0.55 -4.77 116.67 126.90 2a7y s ASP 20 Ca 0.07 -2.59 0.00 0.00 0.71 0.00 0.00 52.55 50.73 2a7y s ASP 20 Cb -0.17 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.27 2a7y s ASP 20 CO 0.11 -0.30 0.00 1.67 0.21 0.00 0.00 175.17 176.86 2a7y n GLN 21 N 3.65 0.00 -3.93 8.23 7.27 -1.15 -3.70 117.38 127.75 2a7y n GLN 21 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.97 2a7y n GLN 21 Cb 0.36 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.86 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2a7y s HIS 22 N 0.00 0.17 -0.01 3.69 2.46 -1.23 -3.63 115.29 116.74 2a7y s HIS 22 Ca 0.00 -0.00 -0.03 0.00 0.47 0.00 0.00 55.06 55.50 2a7y s HIS 22 Cb 0.00 -0.18 -0.00 0.00 -0.13 0.00 0.00 32.58 32.27 2a7y s HIS 22 CO 0.00 -0.04 0.06 0.00 -2.47 0.00 0.00 174.74 172.29 2a7y s ALA 23 N 0.31 -0.14 -0.01 1.58 0.00 -0.68 -4.49 121.76 118.33 2a7y s ALA 23 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2a7y s ALA 23 Cb -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2a7y s ALA 23 CO -0.01 -0.09 -0.06 -2.00 0.00 0.00 0.00 175.76 173.60 2a7y s GLU 24 N -0.56 0.56 -0.31 0.00 -6.30 -0.00 -0.49 118.70 111.60 2a7y s GLU 24 Ca -0.06 -0.21 -0.13 0.00 -2.50 0.00 0.00 54.97 52.07 2a7y s GLU 24 Cb -0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 34.13 33.51 2a7y s GLU 24 CO 0.00 0.11 0.26 0.42 0.02 0.00 0.00 175.26 176.07 2a7y s ILE 25 N -0.01 5.26 -0.36 -3.70 1.01 -0.51 -1.14 121.20 121.75 2a7y s ILE 25 Ca 0.01 0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.83 2a7y s ILE 25 Cb -0.04 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2a7y s ILE 25 CO -0.00 0.11 0.32 2.30 0.00 0.00 0.00 174.94 177.67 2a7y n ILE 26 N 5.11 0.00 -3.88 2.92 -6.64 -1.24 -0.38 119.36 115.25 2a7y n ILE 26 Ca -0.12 -0.39 -0.15 0.00 -1.77 0.00 0.00 62.75 60.32 2a7y n ILE 26 Cb 0.51 1.02 -0.16 0.00 -1.44 0.00 0.00 39.64 39.57 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 -1.38 0.14 -0.28 6.28 0.41 -0.54 -4.96 118.70 118.37 2a7y s GLU 27 Ca 0.03 0.09 -0.03 0.00 -0.41 0.00 0.00 54.97 54.64 2a7y s GLU 27 Cb 0.05 -0.32 0.09 0.00 -1.78 0.00 0.00 34.13 32.17 2a7y s GLU 27 CO 0.21 -0.11 0.12 0.08 -0.49 0.00 0.00 175.26 175.07 2a7y s VAL 28 N 0.80 0.15 -0.72 2.63 1.01 -1.26 -2.52 120.40 120.49 2a7y s VAL 28 Ca -0.07 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2a7y s VAL 28 Cb -0.10 -1.09 0.36 0.00 0.00 0.00 0.00 36.38 35.54 2a7y s VAL 28 CO -0.02 -0.66 1.46 0.54 0.00 0.00 0.00 175.10 176.43 2a7y n ARG 29 N 5.16 3.71 -3.78 2.72 1.74 -1.26 -4.97 116.66 119.98 2a7y n ARG 29 Ca -0.05 -4.41 -0.27 0.00 -0.77 0.00 0.00 57.85 52.35 2a7y n ARG 29 Cb 0.43 -2.31 -0.17 0.00 -1.02 0.00 0.00 32.46 29.40 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2a7y s SER 30 N -2.40 2.66 -0.05 0.55 0.01 -1.26 -4.85 113.70 108.35 2a7y s SER 30 Ca 0.47 -0.65 -0.16 0.00 1.31 0.00 0.00 55.95 56.91 2a7y s SER 30 Cb 0.33 -0.64 -0.31 0.00 0.21 0.00 0.00 66.02 65.61 2a7y s SER 30 CO -0.22 -0.26 0.75 0.00 0.41 0.00 0.00 173.24 173.93 2a7y h ALA 31 N 8.23 0.03 -0.00 1.44 0.00 -1.93 -3.31 119.26 123.72 2a7y h ALA 31 Ca -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2a7y h ALA 31 Cb 1.12 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2a7y h ALA 31 CO 0.34 0.72 -0.36 -0.25 0.00 0.00 0.00 179.25 179.70 2a7y n ASP 32 N -3.86 0.67 0.00 0.00 9.92 -1.26 -4.91 116.55 117.11 2a7y n ASP 32 Ca -0.20 -0.48 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 2a7y n ASP 32 Cb 0.96 0.16 0.00 0.00 -0.64 0.00 0.00 41.12 41.60 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a7y n GLY 33 N 1.43 0.58 3.88 0.44 0.00 -1.25 -4.59 105.19 105.67 2a7y n GLY 33 Ca 0.09 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2a7y n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a7y s SER 34 N -2.58 6.57 1.00 1.61 1.04 -1.26 -4.16 113.70 115.92 2a7y s SER 34 Ca 0.00 0.92 -0.11 0.00 0.48 0.00 0.00 55.95 57.23 2a7y s SER 34 Cb 0.00 -2.23 0.19 0.00 0.10 0.00 0.00 66.02 64.08 2a7y s SER 34 CO 0.00 -0.16 1.09 -2.84 0.98 0.00 0.00 173.24 172.31 2a7y s PRO 35 N -3.15 0.39 0.33 4.02 0.02 -1.26 -4.58 135.00 130.77 2a7y s PRO 35 Ca 0.47 1.08 -0.06 0.00 0.02 0.00 0.00 61.00 62.52 2a7y s PRO 35 Cb -0.11 -1.69 0.08 0.00 0.02 0.00 0.00 34.50 32.80 2a7y s PRO 35 CO 0.24 -2.91 0.44 -0.35 -0.33 0.00 0.00 177.00 174.10 2a7y n PRO 36 N -4.38 -0.50 -4.24 5.54 -0.04 -1.26 -5.06 135.00 125.06 2a7y n PRO 36 Ca 0.07 -0.68 -0.14 0.00 -0.04 0.00 0.00 63.50 62.70 2a7y n PRO 36 Cb 0.54 -0.46 -0.10 0.00 -0.04 0.00 0.00 33.50 33.44 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 -1.96 1.35 -0.10 0.54 2.02 -1.02 -4.61 117.35 113.57 2a7y s TYR 37 Ca 0.25 -1.39 -0.03 0.00 -0.37 0.00 0.00 57.07 55.53 2a7y s TYR 37 Cb -0.01 -0.66 0.04 0.00 -0.40 0.00 0.00 41.96 40.93 2a7y s TYR 37 CO 0.18 -0.62 0.04 0.08 -1.57 0.00 0.00 175.55 173.66 2a7y s VAL 38 N -3.94 0.15 0.32 0.71 1.01 -1.05 -2.23 120.40 115.38 2a7y s VAL 38 Ca 0.39 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.47 2a7y s VAL 38 Cb 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2a7y s VAL 38 CO 0.15 0.04 0.25 0.54 0.00 0.00 0.00 175.10 176.08 2a7y s VAL 39 N 2.05 0.05 0.02 2.92 0.11 0.22 -1.47 120.40 124.29 2a7y s VAL 39 Ca 0.03 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.09 2a7y s VAL 39 Cb -0.14 -2.49 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 2a7y s VAL 39 CO -0.06 0.00 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.54 2a7y s ARG 40 N -3.57 0.30 -0.96 1.54 0.52 -0.29 -1.30 118.95 115.20 2a7y s ARG 40 Ca 0.39 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.09 2a7y s ARG 40 Cb 0.03 -0.11 0.24 0.00 0.52 0.00 0.00 34.95 35.64 2a7y s ARG 40 CO 0.24 0.02 0.91 -1.58 0.02 0.00 0.00 175.30 174.91 2a7y s TRP 41 N -0.82 4.00 0.01 -0.53 0.52 -0.91 -0.82 118.94 120.38 2a7y s TRP 41 Ca -0.07 -2.43 -0.07 0.00 0.02 0.00 0.00 56.10 53.54 2a7y s TRP 41 Cb -0.06 -3.76 -0.04 0.00 -1.15 0.00 0.00 33.47 28.46 2a7y s TRP 41 CO -0.00 -0.95 1.11 -0.07 0.02 0.00 0.00 176.95 177.06 2a7y h LEU 42 N 7.09 -0.23 -1.74 2.99 3.38 -1.89 0.64 115.31 125.56 2a7y h LEU 42 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2a7y h LEU 42 Cb 0.94 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2a7y h LEU 42 CO 0.88 -0.16 0.16 -0.37 0.09 0.00 0.00 178.44 179.03 2a7y h VAL 43 N -0.27 1.07 0.59 1.22 -1.51 -1.95 -1.79 116.25 113.61 2a7y h VAL 43 Ca -0.03 -0.14 -0.03 0.00 -1.23 0.00 0.00 66.70 65.27 2a7y h VAL 43 Cb 0.21 0.71 0.01 0.00 -2.13 0.00 0.00 31.29 30.08 2a7y h VAL 43 CO 0.04 0.07 -0.28 0.78 -1.23 0.00 0.00 177.57 176.95 2a7y h ASN 44 N 0.34 -0.67 0.00 4.19 2.35 -1.85 -3.49 115.58 116.45 2a7y h ASN 44 Ca 0.09 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2a7y h ASN 44 Cb -0.03 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2a7y h ASN 44 CO -0.02 -0.48 0.00 0.61 -1.65 0.00 0.00 177.43 175.90 2a7y n GLY 45 N -1.34 0.92 3.23 2.83 0.00 0.22 -5.11 105.19 105.94 2a7y n GLY 45 Ca -0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.27 -0.21 1.61 5.04 -1.09 -5.00 115.29 116.91 2a7y s HIS 46 Ca 0.00 -1.38 -0.04 0.00 -1.54 0.00 0.00 55.06 52.10 2a7y s HIS 46 Cb 0.00 -0.63 0.07 0.00 0.04 0.00 0.00 32.58 32.07 2a7y s HIS 46 CO 0.00 -0.62 0.09 -1.21 -2.34 0.00 0.00 174.74 170.66 2a7y s GLU 47 N -4.07 0.27 0.31 2.88 8.01 -1.26 -2.14 118.70 122.69 2a7y s GLU 47 Ca 0.39 -0.33 0.07 0.00 0.01 0.00 0.00 54.97 55.11 2a7y s GLU 47 Cb 0.07 -1.75 -0.03 0.00 -4.31 0.00 0.00 34.13 28.11 2a7y s GLU 47 CO 0.14 -0.77 0.26 -2.37 0.01 0.00 0.00 175.26 172.53 2a7y n THR 48 N 5.19 0.00 -3.70 3.63 5.66 -0.42 -5.02 114.28 119.63 2a7y n THR 48 Ca -0.07 -2.25 -0.23 0.00 -3.05 0.00 0.00 64.05 58.46 2a7y n THR 48 Cb 0.46 1.11 -0.18 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.32 1.09 2.01 -1.26 -0.61 115.64 114.07 2a7y s THR 49 Ca 0.36 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.55 2a7y s THR 49 Cb 0.02 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2a7y s THR 49 CO 0.26 0.09 0.24 0.68 -0.69 0.00 0.00 174.62 175.20 2a7y s VAL 50 N 2.07 0.07 0.00 3.82 -7.23 -0.94 -4.96 120.40 113.22 2a7y s VAL 50 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2a7y s VAL 50 Cb -0.13 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 2a7y s VAL 50 CO -0.05 0.00 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.41 2a7y s TYR 51 N -3.51 0.16 -0.09 2.82 1.51 -1.26 -2.43 117.35 114.55 2a7y s TYR 51 Ca 0.39 -0.09 -0.26 0.00 -1.01 0.00 0.00 57.07 56.09 2a7y s TYR 51 Cb 0.03 -0.11 -0.25 0.00 -0.11 0.00 0.00 41.96 41.52 2a7y s TYR 51 CO 0.24 -0.02 0.92 -1.35 -1.11 0.00 0.00 175.55 174.22 2a7y h PRO 52 N 5.91 0.10 0.00 -1.71 0.11 -1.97 -3.48 132.00 130.96 2a7y h PRO 52 Ca -0.26 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2a7y h PRO 52 Cb 1.21 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2a7y h PRO 52 CO 0.49 0.96 0.00 0.41 -0.21 0.00 0.00 178.00 179.66 2a7y n GLY 53 N 1.31 2.51 0.00 -0.55 0.00 -1.26 -4.93 105.19 102.27 2a7y n GLY 53 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.65 -0.06 0.00 1.61 7.64 -1.26 -4.87 113.62 118.34 2a7y n SER 54 Ca 0.00 -0.77 0.05 0.00 1.01 0.00 0.00 58.87 59.16 2a7y n SER 54 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.38 0.00 -0.50 6.43 2.03 -1.26 -4.93 116.55 115.94 2a7y n ASP 55 Ca 0.00 -0.15 0.05 0.00 0.52 0.00 0.00 54.79 55.22 2a7y n ASP 55 Cb 0.00 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.09 -1.25 -2.15 -1.67 0.00 -1.26 -4.63 120.51 108.46 2a7y n ALA 56 Ca 0.06 0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 2a7y n ALA 56 Cb 0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 2a7y n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a7y s VAL 57 N -3.59 0.26 -0.05 0.00 1.01 0.64 -4.92 120.40 113.75 2a7y s VAL 57 Ca 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 2a7y s VAL 57 Cb 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.52 2a7y s VAL 57 CO 0.00 -0.64 0.03 -0.69 0.00 0.00 0.00 175.10 173.80 2a7y s VAL 58 N -3.92 0.10 0.34 2.92 1.01 -1.26 -2.56 120.40 117.03 2a7y s VAL 58 Ca 0.19 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.53 2a7y s VAL 58 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2a7y s VAL 58 CO -0.02 0.21 0.28 1.33 0.00 0.00 0.00 175.10 176.90 2a7y n VAL 59 N 5.18 0.00 -3.34 2.92 0.24 0.59 -5.00 118.33 118.92 2a7y n VAL 59 Ca -0.06 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.76 2a7y n VAL 59 Cb 0.50 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 2a7y n VAL 59 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2a7y n THR 60 N -0.67 0.00 -0.10 3.34 -2.24 -1.26 -1.93 114.28 111.42 2a7y n THR 60 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 2a7y n THR 60 Cb 0.62 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.00 0.40 0.67 6.98 0.00 -1.96 -2.40 119.26 123.94 2a7y h ALA 61 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2a7y h ALA 61 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2a7y h ALA 61 CO 0.00 -0.27 -0.45 1.79 0.00 0.00 0.00 179.25 180.32 2a7y h THR 62 N 0.27 0.10 -0.15 0.00 1.35 -2.03 -1.23 112.91 111.23 2a7y h THR 62 Ca 0.15 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.06 2a7y h THR 62 Cb 0.12 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 2a7y h THR 62 CO -0.16 0.00 0.17 -0.33 -0.25 0.00 0.00 175.52 174.96 2a7y h GLU 63 N -1.06 0.00 -0.40 4.72 4.39 -1.98 -2.43 114.58 117.82 2a7y h GLU 63 Ca -0.08 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2a7y h GLU 63 Cb 0.87 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 2a7y h GLU 63 CO 0.06 0.00 0.18 1.25 -1.16 0.00 0.00 179.01 179.34 2a7y h HIS 64 N 0.00 0.32 0.00 4.33 -0.00 -0.68 -3.23 115.15 115.89 2a7y h HIS 64 Ca 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2a7y h HIS 64 Cb 0.41 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 2a7y h HIS 64 CO 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 177.93 178.08 2a7y n ALA 65 N -2.32 -0.28 0.22 5.26 0.00 -0.91 -0.31 120.51 122.17 2a7y n ALA 65 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 2a7y n ALA 65 Cb 0.12 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.66 -0.84 0.00 4.11 -1.77 -2.78 114.58 112.64 2a7y h GLU 66 Ca 0.00 0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.53 2a7y h GLU 66 Cb 0.00 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2a7y h GLU 66 CO 0.00 -0.44 0.52 0.00 0.07 0.00 0.00 179.01 179.16 2a7y h ALA 67 N -0.16 1.15 0.04 1.06 0.00 -1.62 -2.53 119.26 117.20 2a7y h ALA 67 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2a7y h ALA 67 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2a7y h ALA 67 CO -0.03 0.26 -0.14 1.49 0.00 0.00 0.00 179.25 180.83 2a7y h GLU 68 N 0.94 -0.25 0.00 0.00 4.81 -0.42 0.23 114.58 119.90 2a7y h GLU 68 Ca 0.36 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2a7y h GLU 68 Cb 0.17 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2a7y h GLU 68 CO -0.17 -0.16 0.00 1.17 -0.73 0.00 0.00 179.01 179.12 2a7y n LYS 69 N -5.27 0.00 0.08 1.92 3.00 -0.99 -1.71 118.16 115.19 2a7y n LYS 69 Ca -0.06 0.20 -0.03 0.00 -0.00 0.00 0.00 58.31 58.42 2a7y n LYS 69 Cb 0.19 -1.13 -0.02 0.00 0.00 0.00 0.00 35.03 34.07 2a7y n LYS 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2a7y h ARG 70 N 0.00 -0.20 -0.36 1.64 2.43 -1.53 -2.78 114.38 113.59 2a7y h ARG 70 Ca 0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2a7y h ARG 70 Cb 0.00 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2a7y h ARG 70 CO 0.00 -0.13 0.15 0.00 -1.51 0.00 0.00 179.97 178.47 2a7y h ALA 71 N -1.78 0.42 -0.77 2.80 0.00 -0.83 -1.71 119.26 117.39 2a7y h ALA 71 Ca -0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2a7y h ALA 71 Cb 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2a7y h ALA 71 CO 0.02 -0.24 0.50 0.00 0.00 0.00 0.00 179.25 179.54 2a7y h ALA 72 N 1.21 1.65 -0.96 0.00 0.00 0.02 0.58 119.26 121.76 2a7y h ALA 72 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2a7y h ALA 72 Cb 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2a7y h ALA 72 CO -0.14 0.24 0.62 0.00 0.00 0.00 0.00 179.25 179.97 2a7y h ALA 73 N 1.58 1.50 0.51 0.00 0.00 -1.02 0.70 119.26 122.54 2a7y h ALA 73 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2a7y h ALA 73 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2a7y h ALA 73 CO -0.11 0.32 -0.35 0.00 0.00 0.00 0.00 179.25 179.11 2a7y h ARG 74 N 1.05 -0.81 -0.91 0.00 3.08 -0.69 -3.03 114.38 113.06 2a7y h ARG 74 Ca 0.44 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.75 2a7y h ARG 74 Cb 0.30 0.18 -0.17 0.00 0.08 0.00 0.00 29.97 30.36 2a7y h ARG 74 CO -0.19 -0.54 -0.13 0.00 -1.07 0.00 0.00 179.97 178.04 2a7y h ALA 75 N -0.46 0.78 -0.62 0.04 0.00 0.10 -0.86 119.26 118.25 2a7y h ALA 75 Ca -0.06 0.34 -0.40 0.00 0.00 0.00 0.00 54.91 54.79 2a7y h ALA 75 Cb 0.70 0.63 -0.25 0.00 0.00 0.00 0.00 17.79 18.87 2a7y h ALA 75 CO 0.03 -0.44 -0.11 0.41 0.00 0.00 0.00 179.25 179.14 2a7y n GLY 76 N -1.54 5.56 0.25 0.00 0.00 -0.70 -4.57 105.19 104.19 2a7y n GLY 76 Ca 0.16 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 1.56 0.00 -0.16 1.61 6.17 -1.02 -2.51 115.15 120.80 2a7y h HIS 77 Ca 0.35 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.43 2a7y h HIS 77 Cb 1.49 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.42 2a7y h HIS 77 CO 1.08 0.15 0.00 0.00 0.71 0.00 0.00 177.93 179.87 2a7y n ALA 78 N -2.27 2.37 -3.89 5.26 0.00 -1.26 -4.90 120.51 115.81 2a7y n ALA 78 Ca -0.01 -1.76 -0.30 0.00 0.00 0.00 0.00 53.44 51.36 2a7y n ALA 78 Cb 0.29 -0.39 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.92 2.36 0.00 0.00 0.00 -0.95 -5.21 121.76 116.04 2a7y s ALA 79 Ca 0.25 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2a7y s ALA 79 Cb 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2a7y s ALA 79 CO 0.07 -1.72 0.00 2.41 0.00 0.00 0.00 175.76 176.52