#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3x n GLY 2 N 0.00 -1.84 0.54 0.00 0.00 -1.26 -2.85 105.19 99.78 1x3x n GLY 2 Ca 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.41 1x3x n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x3x n ASP 3 N 0.38 2.06 -4.72 1.61 10.43 -1.26 -4.81 116.55 120.24 1x3x n ASP 3 Ca 0.00 -1.53 -0.42 0.00 2.57 0.00 0.00 54.79 55.41 1x3x n ASP 3 Cb 0.00 0.20 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 1x3x n ASP 3 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1x3x s LYS 4 N -1.60 4.24 -0.05 -1.24 2.47 -1.26 -4.90 119.74 117.39 1x3x s LYS 4 Ca 0.17 2.30 0.02 0.00 -1.56 0.00 0.00 55.97 56.90 1x3x s LYS 4 Cb 0.13 -3.17 -0.03 0.00 -1.46 0.00 0.00 37.83 33.31 1x3x s LYS 4 CO 0.29 -0.57 -0.10 0.15 0.16 0.00 0.00 175.35 175.28 1x3x s LYS 5 N 1.09 2.61 0.06 4.03 -0.14 -1.26 -0.93 119.74 125.19 1x3x s LYS 5 Ca 0.69 -0.63 0.04 0.00 -1.36 0.00 0.00 55.97 54.70 1x3x s LYS 5 Cb -0.42 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.22 1x3x s LYS 5 CO 0.31 0.64 -0.12 0.71 -0.76 0.00 0.00 175.35 176.14 1x3x s TYR 6 N -0.79 1.02 0.39 3.18 1.51 0.12 -4.93 117.35 117.86 1x3x s TYR 6 Ca 0.12 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1x3x s TYR 6 Cb -0.11 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1x3x s TYR 6 CO 0.01 0.01 0.66 0.95 -1.11 0.00 0.00 175.55 176.08 1x3x s THR 7 N -1.24 4.98 0.42 -0.71 -4.23 -1.26 0.02 115.64 113.62 1x3x s THR 7 Ca -0.04 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.57 1x3x s THR 7 Cb -0.10 -3.82 0.25 0.00 1.34 0.00 0.00 72.50 70.17 1x3x s THR 7 CO 0.02 -0.61 2.05 0.11 -0.54 0.00 0.00 174.62 175.64 1x3x h LYS 8 N 0.81 0.45 -0.40 3.99 1.57 -1.98 -2.43 116.57 118.58 1x3x h LYS 8 Ca -0.48 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1x3x h LYS 8 Cb 1.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1x3x h LYS 8 CO 0.63 0.33 0.19 0.93 -0.57 0.00 0.00 179.45 180.96 1x3x h GLU 9 N 0.45 0.57 -0.44 3.15 3.07 -1.95 -1.70 114.58 117.73 1x3x h GLU 9 Ca 0.12 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 1x3x h GLU 9 Cb 0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1x3x h GLU 9 CO -0.02 0.51 0.08 1.49 -1.40 0.00 0.00 179.01 179.67 1x3x h GLU 10 N 0.50 0.73 -0.82 2.33 4.57 -1.86 -2.78 114.58 117.25 1x3x h GLU 10 Ca 0.14 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1x3x h GLU 10 Cb 0.12 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1x3x h GLU 10 CO -0.02 0.74 0.54 0.28 -1.18 0.00 0.00 179.01 179.38 1x3x h VAL 11 N 0.59 1.14 -0.42 0.32 2.07 -1.30 -2.21 116.25 116.44 1x3x h VAL 11 Ca 0.14 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.42 1x3x h VAL 11 Cb 0.36 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1x3x h VAL 11 CO 0.01 0.19 0.30 0.00 0.02 0.00 0.00 177.57 178.08 1x3x h ALA 12 N 1.52 2.38 0.00 1.67 0.00 -1.01 -1.66 119.26 122.16 1x3x h ALA 12 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1x3x h ALA 12 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x3x h ALA 12 CO -0.10 -0.50 0.00 0.87 0.00 0.00 0.00 179.25 179.53 1x3x h LYS 13 N 0.01 0.00 -3.39 0.00 1.57 -1.43 -3.33 116.57 110.00 1x3x h LYS 13 Ca 0.20 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 58.19 1x3x h LYS 13 Cb 0.78 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.84 1x3x h LYS 13 CO -0.00 0.00 1.03 0.72 -0.57 0.00 0.00 179.45 180.63 1x3x n HIS 14 N -2.85 3.39 -1.79 -1.35 8.25 -0.62 -4.74 115.22 115.50 1x3x n HIS 14 Ca -0.00 -3.02 -0.01 0.00 -0.26 0.00 0.00 57.72 54.43 1x3x n HIS 14 Cb 0.21 -1.61 0.15 0.00 1.12 0.00 0.00 29.99 29.87 1x3x n HIS 14 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1x3x n ASN 15 N 2.63 2.36 -4.42 0.41 2.04 -1.02 -1.97 115.26 115.29 1x3x n ASN 15 Ca 0.30 -3.68 -0.21 0.00 -0.44 0.00 0.00 54.58 50.55 1x3x n ASN 15 Cb 0.36 -0.47 -0.10 0.00 -2.53 0.00 0.00 39.78 37.04 1x3x n ASN 15 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1x3x s THR 16 N -3.30 1.53 0.55 5.53 -4.23 -0.74 -4.88 115.64 110.10 1x3x s THR 16 Ca 0.40 -2.10 0.33 0.00 -1.18 0.00 0.00 61.69 59.14 1x3x s THR 16 Cb 0.38 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 72.12 1x3x s THR 16 CO -0.05 -0.28 2.23 0.06 -0.54 0.00 0.00 174.62 176.04 1x3x h GLN 17 N 2.29 0.00 -0.18 3.99 3.07 -1.97 -1.70 115.11 120.61 1x3x h GLN 17 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.34 1x3x h GLN 17 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1x3x h GLN 17 CO 0.67 0.03 0.00 0.09 0.09 0.00 0.00 178.83 179.71 1x3x n ASN 18 N -3.59 3.12 -2.87 0.06 3.02 -1.26 -4.59 115.26 109.16 1x3x n ASN 18 Ca -0.03 -1.96 -0.09 0.00 -0.03 0.00 0.00 54.58 52.48 1x3x n ASN 18 Cb 0.13 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1x3x n ASN 18 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1x3x n ASP 19 N 1.35 -2.85 -4.07 6.41 4.64 -0.67 -4.98 116.55 116.38 1x3x n ASP 19 Ca 0.16 -2.88 -0.32 0.00 -1.38 0.00 0.00 54.79 50.36 1x3x n ASP 19 Cb 0.58 1.36 -0.15 0.00 -1.04 0.00 0.00 41.12 41.87 1x3x n ASP 19 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1x3x s LEU 20 N 0.49 3.53 0.22 -2.67 0.20 -0.98 -1.79 118.68 117.67 1x3x s LEU 20 Ca 0.31 -1.44 0.10 0.00 0.69 0.00 0.00 54.13 53.78 1x3x s LEU 20 Cb 0.04 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1x3x s LEU 20 CO -0.10 -0.20 -0.10 0.26 -0.29 0.00 0.00 176.35 175.92 1x3x s TRP 21 N 1.09 2.57 0.06 5.38 0.52 -0.83 0.19 118.94 127.92 1x3x s TRP 21 Ca -0.08 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 55.75 1x3x s TRP 21 Cb -0.20 -1.21 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1x3x s TRP 21 CO -0.05 0.57 0.07 0.96 0.02 0.00 0.00 176.95 178.51 1x3x s ILE 22 N -1.96 0.17 -0.13 2.03 -5.25 -0.28 0.80 121.20 116.58 1x3x s ILE 22 Ca 0.27 -1.41 -0.02 0.00 -0.99 0.00 0.00 60.65 58.49 1x3x s ILE 22 Cb -0.08 -1.27 -0.03 0.00 2.95 0.00 0.00 42.46 44.04 1x3x s ILE 22 CO 0.16 -0.78 -0.04 -0.63 -1.79 0.00 0.00 174.94 171.86 1x3x s ILE 23 N -3.50 3.89 -0.12 8.37 1.01 -0.10 -0.72 121.20 130.05 1x3x s ILE 23 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 1x3x s ILE 23 Cb 0.04 -2.67 0.04 0.00 0.01 0.00 0.00 42.46 39.88 1x3x s ILE 23 CO -0.09 0.53 0.04 -0.47 0.00 0.00 0.00 174.94 174.95 1x3x s TYR 24 N -0.04 0.56 -1.39 3.97 5.04 -0.01 -0.73 117.35 124.75 1x3x s TYR 24 Ca 0.01 -0.30 -0.03 0.00 -2.44 0.00 0.00 57.07 54.31 1x3x s TYR 24 Cb -0.13 -0.78 0.02 0.00 0.35 0.00 0.00 41.96 41.42 1x3x s TYR 24 CO 0.03 -0.42 0.68 -3.47 -1.34 0.00 0.00 175.55 171.03 1x3x n ASP 25 N 5.18 -1.68 0.00 4.32 4.64 -1.26 -0.65 116.55 127.10 1x3x n ASP 25 Ca -0.07 -0.87 0.00 0.00 -1.38 0.00 0.00 54.79 52.47 1x3x n ASP 25 Cb 0.49 -3.72 0.00 0.00 -1.04 0.00 0.00 41.12 36.85 1x3x n ASP 25 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1x3x n GLY 26 N -1.69 0.40 3.76 0.27 0.00 -1.26 -5.01 105.19 101.66 1x3x n GLY 26 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1x3x n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3x s GLU 27 N -0.64 2.95 -0.23 1.61 2.02 0.18 -1.40 118.70 123.19 1x3x s GLU 27 Ca 0.00 -0.58 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 1x3x s GLU 27 Cb 0.00 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 1x3x s GLU 27 CO 0.00 0.62 0.11 0.08 0.02 0.00 0.00 175.26 176.08 1x3x s VAL 28 N -1.24 4.87 -0.08 2.63 1.01 0.34 -0.83 120.40 127.11 1x3x s VAL 28 Ca 0.24 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1x3x s VAL 28 Cb -0.12 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1x3x s VAL 28 CO 0.16 0.36 -0.24 -1.00 0.00 0.00 0.00 175.10 174.38 1x3x s HIS 29 N 1.12 2.50 -0.51 5.22 3.76 0.11 -0.75 115.29 126.73 1x3x s HIS 29 Ca 0.06 -0.87 -0.19 0.00 -0.15 0.00 0.00 55.06 53.91 1x3x s HIS 29 Cb -0.14 -1.65 0.06 0.00 1.11 0.00 0.00 32.58 31.96 1x3x s HIS 29 CO 0.04 -0.31 0.65 0.34 -0.85 0.00 0.00 174.74 174.62 1x3x s ASP 30 N 0.07 6.23 -0.01 1.40 3.68 -0.50 -1.13 116.67 126.41 1x3x s ASP 30 Ca -0.10 -0.88 0.22 0.00 2.13 0.00 0.00 52.55 53.91 1x3x s ASP 30 Cb -0.16 -2.30 0.64 0.00 -1.45 0.00 0.00 42.92 39.65 1x3x s ASP 30 CO 0.06 -0.92 1.54 0.23 0.13 0.00 0.00 175.17 176.20 1x3x n MET 31 N 6.27 2.72 -0.22 4.34 2.81 0.13 -4.66 117.12 128.51 1x3x n MET 31 Ca -0.06 -2.61 -0.00 0.00 -1.81 0.00 0.00 57.70 53.22 1x3x n MET 31 Cb 0.45 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.46 1x3x n MET 31 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1x3x h THR 32 N 4.22 0.36 0.00 2.03 2.02 -1.78 0.75 112.91 120.51 1x3x h THR 32 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x3x h THR 32 Cb 0.99 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1x3x h THR 32 CO 0.01 0.00 0.00 0.28 0.37 0.00 0.00 175.52 176.18 1x3x h SER 33 N 0.01 0.00 0.91 4.18 0.02 -1.89 -2.93 113.55 113.84 1x3x h SER 33 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1x3x h SER 33 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1x3x h SER 33 CO -0.66 0.00 -0.61 0.15 -1.14 0.00 0.00 176.83 174.58 1x3x h PHE 34 N 0.00 0.00 -0.58 3.45 3.57 -1.19 -3.40 116.94 118.79 1x3x h PHE 34 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1x3x h PHE 34 Cb 0.37 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.00 1x3x h PHE 34 CO 0.00 0.00 -0.41 -0.92 -2.23 0.00 0.00 178.31 174.75 1x3x h TYR 35 N 0.00 -1.18 -0.10 0.41 3.20 -1.29 -1.42 116.97 116.60 1x3x h TYR 35 Ca 0.00 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1x3x h TYR 35 Cb 0.76 0.60 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 1x3x h TYR 35 CO 0.00 -0.41 -0.03 0.87 -1.64 0.00 0.00 178.16 176.95 1x3x h LYS 36 N -0.21 0.13 -0.01 1.82 1.57 -1.82 -2.89 116.57 115.16 1x3x h LYS 36 Ca 0.19 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1x3x h LYS 36 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1x3x h LYS 36 CO -0.68 0.18 -0.41 -0.85 -0.57 0.00 0.00 179.45 177.11 1x3x n GLU 37 N -4.42 0.95 -1.62 3.15 0.28 -0.80 -4.93 120.64 113.26 1x3x n GLU 37 Ca -0.01 -0.70 -0.48 0.00 -0.16 0.00 0.00 57.16 55.80 1x3x n GLU 37 Cb 0.16 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.49 1x3x n GLU 37 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1x3x n HIS 38 N -0.41 2.12 0.29 -1.84 -0.00 -0.60 -4.81 115.22 109.97 1x3x n HIS 38 Ca 0.10 0.05 0.19 0.00 0.46 0.00 0.00 57.72 58.52 1x3x n HIS 38 Cb 0.41 -2.64 0.99 0.00 -0.12 0.00 0.00 29.99 28.63 1x3x n HIS 38 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1x3x h PRO 39 N 10.66 0.00 -0.01 1.57 0.11 -1.91 -0.07 132.00 142.35 1x3x h PRO 39 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1x3x h PRO 39 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1x3x h PRO 39 CO 0.97 0.00 -0.04 0.41 -0.21 0.00 0.00 178.00 179.13 1x3x n GLY 40 N -1.24 -0.45 7.00 -0.55 0.00 -1.26 -5.04 105.19 103.65 1x3x n GLY 40 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1x3x n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3x n GLY 41 N 1.16 -0.74 0.28 -0.02 0.00 -0.04 -3.94 105.19 101.88 1x3x n GLY 41 Ca 0.19 -1.15 0.19 0.00 0.00 0.00 0.00 46.02 45.24 1x3x n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1x3x h LYS 42 N 0.00 0.00 0.00 1.61 2.10 -1.88 -3.09 116.57 115.31 1x3x h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1x3x h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1x3x h LYS 42 CO 0.00 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.78 1x3x n VAL 43 N -2.80 1.64 0.28 0.07 0.24 -1.25 -1.37 118.33 115.14 1x3x n VAL 43 Ca -0.02 0.56 0.13 0.00 -2.04 0.00 0.00 64.34 62.96 1x3x n VAL 43 Cb 0.08 -1.54 0.83 0.00 -1.47 0.00 0.00 33.84 31.74 1x3x n VAL 43 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1x3x h ILE 44 N 0.00 0.65 0.00 1.34 2.10 -1.82 0.16 117.51 119.94 1x3x h ILE 44 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1x3x h ILE 44 Cb 0.02 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1x3x h ILE 44 CO 0.00 0.02 0.00 -0.07 -1.08 0.00 0.00 178.15 177.02 1x3x h LEU 45 N 0.00 0.00 -2.74 2.19 3.38 -1.52 -2.93 115.31 113.68 1x3x h LEU 45 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x3x h LEU 45 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1x3x h LEU 45 CO 0.00 0.00 -0.00 0.78 0.09 0.00 0.00 178.44 179.31 1x3x h ASN 46 N 0.00 0.00 0.00 -0.43 2.35 -1.17 -1.36 115.58 114.97 1x3x h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x3x h ASN 46 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1x3x h ASN 46 CO 0.00 0.00 -0.02 0.29 -1.65 0.00 0.00 177.43 176.05 1x3x n LYS 47 N -3.16 2.00 -1.72 0.81 4.76 -1.11 -5.00 118.16 114.73 1x3x n LYS 47 Ca -0.03 -1.90 -0.42 0.00 -2.87 0.00 0.00 58.31 53.10 1x3x n LYS 47 Cb 0.10 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 1x3x n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x3x s ALA 48 N -1.72 3.92 0.00 7.82 0.00 -0.52 -0.73 121.76 130.53 1x3x s ALA 48 Ca 0.14 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1x3x s ALA 48 Cb 0.12 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1x3x s ALA 48 CO 0.01 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1x3x n GLY 49 N 4.02 0.42 3.55 0.00 0.00 0.24 -4.57 105.19 108.85 1x3x n GLY 49 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1x3x n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x3x s GLN 50 N -0.46 2.02 -0.17 1.61 -0.21 0.09 -3.07 119.66 119.47 1x3x s GLN 50 Ca 0.00 -2.25 -0.28 0.00 0.02 0.00 0.00 55.36 52.85 1x3x s GLN 50 Cb 0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.33 1x3x s GLN 50 CO 0.00 -0.52 0.97 0.34 -2.12 0.00 0.00 175.29 173.96 1x3x s ASP 51 N -3.66 7.12 -0.12 5.90 -1.08 -1.26 -0.92 116.67 122.64 1x3x s ASP 51 Ca 0.20 1.38 0.17 0.00 -0.52 0.00 0.00 52.55 53.78 1x3x s ASP 51 Cb 0.01 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.25 1x3x s ASP 51 CO 0.13 -0.51 1.17 0.00 0.52 0.00 0.00 175.17 176.49 1x3x n ALA 52 N 5.52 2.33 0.23 3.66 0.00 0.09 -4.83 120.51 127.52 1x3x n ALA 52 Ca 0.09 -2.45 -0.16 0.00 0.00 0.00 0.00 53.44 50.92 1x3x n ALA 52 Cb 0.48 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1x3x n ALA 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x3x h THR 53 N 0.25 0.14 -0.53 0.00 2.02 -1.91 0.42 112.91 113.30 1x3x h THR 53 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1x3x h THR 53 Cb 1.01 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1x3x h THR 53 CO 0.03 0.00 0.25 -1.28 0.37 0.00 0.00 175.52 174.89 1x3x h SER 54 N -0.84 0.34 -0.42 4.18 0.87 -1.94 -0.48 113.55 115.25 1x3x h SER 54 Ca -0.03 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1x3x h SER 54 Cb 0.76 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1x3x h SER 54 CO -0.10 0.23 0.23 0.58 -0.53 0.00 0.00 176.83 177.24 1x3x h VAL 55 N 0.48 1.01 0.00 2.23 2.07 -1.86 0.91 116.25 121.09 1x3x h VAL 55 Ca 0.24 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1x3x h VAL 55 Cb 0.19 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1x3x h VAL 55 CO -0.19 0.08 -0.28 -0.07 0.02 0.00 0.00 177.57 177.14 1x3x h LEU 56 N 0.46 0.00 0.00 2.57 3.38 -0.42 -2.06 115.31 119.24 1x3x h LEU 56 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1x3x h LEU 56 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1x3x h LEU 56 CO -0.10 0.28 -1.58 0.29 0.09 0.00 0.00 178.44 177.42 1x3x n LYS 57 N -3.49 0.64 0.00 1.13 5.02 -0.23 -4.61 118.16 116.61 1x3x n LYS 57 Ca -0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1x3x n LYS 57 Cb 0.44 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1x3x n LYS 57 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1x3x n THR 58 N -2.57 0.00 -1.80 -0.18 -2.24 0.28 -4.78 114.28 102.99 1x3x n THR 58 Ca -0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1x3x n THR 58 Cb 0.67 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1x3x n THR 58 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1x3x s LEU 59 N -2.64 4.36 0.18 3.22 2.96 -0.78 -4.82 118.68 121.16 1x3x s LEU 59 Ca 0.00 2.85 -0.25 0.00 -0.22 0.00 0.00 54.13 56.51 1x3x s LEU 59 Cb 0.00 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.14 1x3x s LEU 59 CO 0.00 -0.91 1.55 0.00 -1.32 0.00 0.00 176.35 175.67 1x3x h ALA 60 N 5.90 -0.27 -0.72 5.97 0.00 -1.96 -0.66 119.26 127.53 1x3x h ALA 60 Ca -0.45 0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1x3x h ALA 60 Cb 1.21 1.14 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 1x3x h ALA 60 CO 0.87 -0.82 0.48 -1.35 0.00 0.00 0.00 179.25 178.43 1x3x h PRO 61 N -0.07 0.86 -0.07 0.00 0.11 -1.97 -0.68 132.00 130.18 1x3x h PRO 61 Ca 0.22 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 1x3x h PRO 61 Cb 0.52 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1x3x h PRO 61 CO -0.88 0.57 -0.41 0.45 -0.21 0.00 0.00 178.00 177.52 1x3x h HIS 62 N 0.89 0.18 -0.02 0.65 3.86 -1.48 -1.80 115.15 117.42 1x3x h HIS 62 Ca 0.29 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 1x3x h HIS 62 Cb 0.04 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1x3x h HIS 62 CO -0.00 0.54 -0.48 0.28 0.86 0.00 0.00 177.93 179.13 1x3x h VAL 63 N 0.13 1.44 -0.69 2.45 2.07 -0.50 -1.85 116.25 119.30 1x3x h VAL 63 Ca 0.01 -1.98 0.01 0.00 0.82 0.00 0.00 66.70 65.57 1x3x h VAL 63 Cb 0.78 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 1x3x h VAL 63 CO 0.06 0.57 0.46 0.50 0.02 0.00 0.00 177.57 179.18 1x3x h LYS 64 N -0.16 0.88 -0.77 1.57 1.63 -1.04 -2.45 116.57 116.22 1x3x h LYS 64 Ca -0.05 -0.05 -0.53 0.00 -0.85 0.00 0.00 60.65 59.17 1x3x h LYS 64 Cb 1.19 -0.20 -0.32 0.00 -0.60 0.00 0.00 32.23 32.30 1x3x h LYS 64 CO 0.10 0.58 -0.02 0.00 -3.45 0.00 0.00 179.45 176.66 1x3x n ALA 65 N -2.43 5.39 -0.12 5.00 0.00 -0.69 -4.77 120.51 122.89 1x3x n ALA 65 Ca 0.08 -3.53 0.19 0.00 0.00 0.00 0.00 53.44 50.18 1x3x n ALA 65 Cb 0.06 -0.96 0.59 0.00 0.00 0.00 0.00 19.45 19.14 1x3x n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x3x h ALA 66 N 1.85 2.34 -0.36 0.00 0.00 -0.83 -0.80 119.26 121.47 1x3x h ALA 66 Ca 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1x3x h ALA 66 Cb 1.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1x3x h ALA 66 CO 1.00 -0.54 0.12 0.38 0.00 0.00 0.00 179.25 180.22 1x3x h ASP 67 N 0.23 0.52 -0.39 0.00 2.03 -1.86 -0.96 116.42 115.98 1x3x h ASP 67 Ca 0.35 -0.19 -0.08 0.00 -0.73 0.00 0.00 57.03 56.38 1x3x h ASP 67 Cb 1.03 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.38 1x3x h ASP 67 CO -0.07 0.57 -0.06 0.58 -1.03 0.00 0.00 179.24 179.23 1x3x h VAL 68 N 0.44 1.27 -0.08 4.15 2.07 -1.58 -1.40 116.25 121.12 1x3x h VAL 68 Ca 0.12 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1x3x h VAL 68 Cb 0.23 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1x3x h VAL 68 CO -0.01 0.38 0.01 0.58 0.02 0.00 0.00 177.57 178.55 1x3x h VAL 69 N 0.55 0.96 -0.16 2.57 2.07 -1.12 -1.16 116.25 119.95 1x3x h VAL 69 Ca 0.10 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 1x3x h VAL 69 Cb 0.57 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1x3x h VAL 69 CO 0.03 0.01 -0.33 0.24 0.02 0.00 0.00 177.57 177.54 1x3x h MET 70 N 0.04 0.33 -0.31 1.57 2.86 -1.16 -1.37 114.93 116.90 1x3x h MET 70 Ca 0.03 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1x3x h MET 70 Cb 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1x3x h MET 70 CO -0.05 0.62 0.09 -0.22 1.06 0.00 0.00 176.91 178.42 1x3x h LYS 71 N 0.29 0.48 -0.77 1.72 3.64 -0.92 -0.68 116.57 120.33 1x3x h LYS 71 Ca 0.04 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1x3x h LYS 71 Cb 0.72 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1x3x h LYS 71 CO 0.05 0.53 0.29 0.87 -2.27 0.00 0.00 179.45 178.92 1x3x h LYS 72 N 0.34 1.16 -0.50 1.90 1.79 -1.00 -2.54 116.57 117.72 1x3x h LYS 72 Ca 0.10 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1x3x h LYS 72 Cb 0.25 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1x3x h LYS 72 CO -0.00 0.95 0.15 -0.07 -1.08 0.00 0.00 179.45 179.40 1x3x h LEU 73 N 1.12 0.72 0.00 2.94 3.38 -1.04 -2.53 115.31 119.91 1x3x h LEU 73 Ca 0.25 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1x3x h LEU 73 Cb 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1x3x h LEU 73 CO -0.02 0.74 0.00 0.29 0.09 0.00 0.00 178.44 179.54 1x3x n LYS 74 N -4.50 0.05 0.00 1.13 4.76 -0.28 -1.70 118.16 117.62 1x3x n LYS 74 Ca 0.01 0.27 0.08 0.00 -2.87 0.00 0.00 58.31 55.81 1x3x n LYS 74 Cb 0.20 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1x3x n LYS 74 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1x3x n GLN 75 N -1.44 1.59 0.00 1.97 6.02 -0.97 -4.66 117.38 119.89 1x3x n GLN 75 Ca 0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 1x3x n GLN 75 Cb 0.12 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1x3x n GLN 75 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1x3x n THR 76 N -0.19 0.56 -2.39 5.09 -2.24 -0.69 -5.03 114.28 109.40 1x3x n THR 76 Ca 0.07 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 1x3x n THR 76 Cb 0.36 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 1x3x n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x3x n ILE 78 N 5.18 0.00 -3.34 0.00 -5.35 0.07 -4.57 119.36 111.35 1x3x n ILE 78 Ca 0.13 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1x3x n ILE 78 Cb 0.45 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1x3x n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x3x n GLY 79 N 1.26 -0.89 3.15 3.28 0.00 -1.13 -4.44 105.19 106.42 1x3x n GLY 79 Ca 0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1x3x n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3x s LYS 80 N -0.67 0.78 0.21 1.61 1.02 -0.11 -0.50 119.74 122.08 1x3x s LYS 80 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 1x3x s LYS 80 Cb 0.00 -0.35 -0.08 0.00 -0.52 0.00 0.00 37.83 36.88 1x3x s LYS 80 CO 0.00 0.03 1.00 0.08 -0.92 0.00 0.00 175.35 175.54 1x3x s VAL 81 N -2.73 4.02 -0.06 3.17 1.01 -0.49 -0.70 120.40 124.62 1x3x s VAL 81 Ca 0.05 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1x3x s VAL 81 Cb -0.01 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1x3x s VAL 81 CO -0.02 0.41 0.52 2.29 0.00 0.00 0.00 175.10 178.29