#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8c n ALA 2 N 0.00 -2.84 0.00 2.24 0.00 -1.26 -5.06 120.51 113.60 1a8c n ALA 2 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1a8c n ALA 2 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1a8c n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a8c n ASP 3 N 0.30 0.00 0.03 0.00 -0.08 -1.26 -4.91 116.55 110.63 1a8c n ASP 3 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 1a8c n ASP 3 Cb 0.00 0.24 -0.09 0.00 2.34 0.00 0.00 41.12 43.61 1a8c n ASP 3 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a8c h LEU 4 N 0.00 -0.08 -2.72 -2.67 3.38 -1.97 0.66 115.31 111.90 1a8c h LEU 4 Ca 0.00 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1a8c h LEU 4 Cb 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1a8c h LEU 4 CO 0.00 0.36 -0.01 0.00 0.09 0.00 0.00 178.44 178.88 1a8c h ALA 5 N 0.33 1.17 0.06 1.53 0.00 -1.94 -0.82 119.26 119.58 1a8c h ALA 5 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1a8c h ALA 5 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1a8c h ALA 5 CO 0.02 0.01 -1.83 1.17 0.00 0.00 0.00 179.25 178.62 1a8c n LYS 6 N -3.34 0.69 0.20 0.00 4.81 -1.04 0.71 118.16 120.19 1a8c n LYS 6 Ca -0.03 0.29 0.03 0.00 -0.87 0.00 0.00 58.31 57.73 1a8c n LYS 6 Cb 0.09 -1.76 0.40 0.00 0.02 0.00 0.00 35.03 33.79 1a8c n LYS 6 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1a8c h LYS 7 N 0.03 0.00 0.00 1.64 1.57 0.17 -3.40 116.57 116.58 1a8c h LYS 7 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1a8c h LYS 7 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1a8c h LYS 7 CO 0.09 0.31 0.00 0.09 -0.57 0.00 0.00 179.45 179.37 1a8c n ASN 8 N -4.17 0.00 0.00 0.86 3.02 -0.49 -5.06 115.26 109.42 1a8c n ASN 8 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1a8c n ASN 8 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1a8c n ASN 8 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1a8c n ASN 9 N -0.31 0.00 -0.33 6.41 0.23 -1.09 -4.87 115.26 115.29 1a8c n ASN 9 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1a8c n ASN 9 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 1a8c n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a8c h ILE 11 N -0.01 0.76 -1.05 0.00 1.08 0.11 -2.51 117.51 115.89 1a8c h ILE 11 Ca 0.42 -1.51 0.31 0.00 -0.39 0.00 0.00 64.86 63.69 1a8c h ILE 11 Cb 0.66 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 1a8c h ILE 11 CO -0.95 0.34 1.01 0.00 -0.69 0.00 0.00 178.15 177.85 1a8c h ALA 12 N 1.66 2.93 0.00 1.87 0.00 0.11 -1.43 119.26 124.39 1a8c h ALA 12 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1a8c h ALA 12 Cb 0.93 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.65 1a8c h ALA 12 CO 0.04 -1.55 -0.60 0.00 0.00 0.00 0.00 179.25 177.15 1a8c s HIS 14 N 0.00 0.18 0.00 0.00 4.02 -0.54 -3.60 115.29 115.35 1a8c s HIS 14 Ca 0.12 -1.01 0.00 0.00 1.02 0.00 0.00 55.06 55.18 1a8c s HIS 14 Cb 0.13 -0.71 0.00 0.00 -1.02 0.00 0.00 32.58 30.99 1a8c s HIS 14 CO -0.06 -0.88 0.00 0.94 1.02 0.00 0.00 174.74 175.76 1a8c n GLN 15 N 4.58 0.70 -0.09 1.40 7.27 -1.11 -4.28 117.38 125.85 1a8c n GLN 15 Ca 0.05 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.89 1a8c n GLN 15 Cb 0.42 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.95 1a8c n GLN 15 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1a8c n VAL 16 N -0.60 1.58 -0.01 1.69 0.31 -1.26 -0.75 118.33 119.29 1a8c n VAL 16 Ca 0.00 -0.40 -0.01 0.00 -0.01 0.00 0.00 64.34 63.93 1a8c n VAL 16 Cb 0.00 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.13 1a8c n VAL 16 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1a8c n GLU 17 N -3.90 3.78 -3.90 5.55 2.13 -1.26 -1.24 120.64 121.80 1a8c n GLU 17 Ca -0.41 -0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.19 1a8c n GLU 17 Cb 0.89 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 31.54 1a8c n GLU 17 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1a8c s THR 18 N -2.03 4.05 0.22 6.31 -4.23 -1.26 -4.85 115.64 113.85 1a8c s THR 18 Ca -0.01 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1a8c s THR 18 Cb 0.00 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1a8c s THR 18 CO 0.05 -0.25 0.00 -1.59 -0.54 0.00 0.00 174.62 172.29 1a8c s LYS 19 N -3.96 1.30 0.11 3.99 0.00 -1.26 -2.76 119.74 117.16 1a8c s LYS 19 Ca 0.38 -1.65 0.00 0.00 0.00 0.00 0.00 55.97 54.69 1a8c s LYS 19 Cb -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 37.83 37.24 1a8c s LYS 19 CO 0.27 -0.12 0.00 1.33 0.00 0.00 0.00 175.35 176.83 1a8c n VAL 20 N -0.39 0.65 -0.10 1.79 0.24 -1.26 -4.95 118.33 114.30 1a8c n VAL 20 Ca -0.05 0.21 -0.18 0.00 -2.04 0.00 0.00 64.34 62.28 1a8c n VAL 20 Cb 0.64 -1.14 -0.08 0.00 -1.47 0.00 0.00 33.84 31.79 1a8c n VAL 20 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1a8c n VAL 21 N -3.20 1.50 -1.53 3.34 0.31 -1.26 -5.02 118.33 112.46 1a8c n VAL 21 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1a8c n VAL 21 Cb 0.00 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 30.81 1a8c n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a8c n GLY 22 N 1.43 3.47 3.85 2.92 0.00 -1.24 -3.78 105.19 111.83 1a8c n GLY 22 Ca -0.30 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1a8c n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a8c s PRO 23 N 2.99 3.06 1.01 1.61 0.04 -1.26 -4.73 135.00 137.72 1a8c s PRO 23 Ca 0.00 0.77 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 1a8c s PRO 23 Cb 0.00 -2.02 0.23 0.00 0.04 0.00 0.00 34.50 32.75 1a8c s PRO 23 CO 0.00 -0.96 1.33 0.00 0.04 0.00 0.00 177.00 177.41 1a8c s ALA 24 N -3.15 2.05 -0.08 8.56 0.00 -1.26 -4.63 121.76 123.24 1a8c s ALA 24 Ca 0.57 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1a8c s ALA 24 Cb -0.13 -2.75 -0.29 0.00 0.00 0.00 0.00 23.12 19.95 1a8c s ALA 24 CO 0.54 -2.65 0.75 -0.07 0.00 0.00 0.00 175.76 174.33 1a8c h LEU 25 N -1.81 0.38 -1.98 0.00 3.38 -1.06 -1.94 115.31 112.28 1a8c h LEU 25 Ca -0.44 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 56.64 1a8c h LEU 25 Cb 1.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1a8c h LEU 25 CO 0.33 1.44 0.35 0.07 0.09 0.00 0.00 178.44 180.72 1a8c h LYS 26 N -0.43 0.00 0.00 1.13 2.10 -1.37 -1.16 116.57 116.84 1a8c h LYS 26 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1a8c h LYS 26 Cb 1.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.95 1a8c h LYS 26 CO 0.09 0.00 -0.65 -0.25 -2.00 0.00 0.00 179.45 176.64 1a8c n ASP 27 N -3.01 1.36 -0.58 7.07 9.92 -1.23 -2.94 116.55 127.14 1a8c n ASP 27 Ca -0.01 0.28 0.46 0.00 -0.53 0.00 0.00 54.79 55.00 1a8c n ASP 27 Cb 0.42 -0.68 0.75 0.00 -0.64 0.00 0.00 41.12 40.96 1a8c n ASP 27 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1a8c h ILE 28 N -0.71 0.03 0.18 0.53 2.04 -1.17 2.74 117.51 121.15 1a8c h ILE 28 Ca 0.00 -0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.52 1a8c h ILE 28 Cb 0.65 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1a8c h ILE 28 CO 0.00 0.00 -1.66 0.00 0.00 0.00 0.00 178.15 176.49 1a8c h ALA 29 N 1.31 0.13 -0.07 1.87 0.00 -1.41 -3.28 119.26 117.81 1a8c h ALA 29 Ca 0.90 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a8c h ALA 29 Cb 3.27 0.44 0.00 0.00 0.00 0.00 0.00 17.79 21.50 1a8c h ALA 29 CO -0.23 0.95 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1a8c n ALA 30 N -2.87 2.58 -0.09 0.00 0.00 0.36 -1.09 120.51 119.39 1a8c n ALA 30 Ca -0.24 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 1a8c n ALA 30 Cb 1.04 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 1a8c n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1a8c h LYS 31 N 1.53 0.00 0.00 0.00 3.64 0.42 -3.43 116.57 118.73 1a8c h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a8c h LYS 31 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1a8c h LYS 31 CO 0.00 0.60 -0.70 0.66 -2.27 0.00 0.00 179.45 177.74 1a8c n TYR 32 N -4.51 0.00 -0.61 1.91 4.01 -1.24 -4.72 117.16 112.01 1a8c n TYR 32 Ca -0.22 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.36 1a8c n TYR 32 Cb 0.51 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.60 1a8c n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8c n ALA 33 N -1.56 4.74 0.23 -0.72 0.00 -0.93 -3.81 120.51 118.45 1a8c n ALA 33 Ca 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 53.44 51.83 1a8c n ALA 33 Cb 0.35 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1a8c n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a8c n ASP 34 N 0.05 0.75 0.00 0.00 2.03 -0.25 -4.61 116.55 114.52 1a8c n ASP 34 Ca 0.31 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1a8c n ASP 34 Cb 0.78 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.76 1a8c n ASP 34 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a8c n LYS 35 N -0.51 0.00 0.00 -0.67 4.76 -1.25 -5.05 118.16 115.43 1a8c n LYS 35 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1a8c n LYS 35 Cb 0.10 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1a8c n LYS 35 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1a8c n ASP 36 N 0.00 0.00 -2.02 4.39 -0.08 -1.26 -4.87 116.55 112.71 1a8c n ASP 36 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1a8c n ASP 36 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1a8c n ASP 36 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1a8c n ASP 37 N 0.00 6.82 -0.29 1.67 5.75 -1.26 -4.64 116.55 124.61 1a8c n ASP 37 Ca 0.00 -3.27 0.32 0.00 -0.01 0.00 0.00 54.79 51.83 1a8c n ASP 37 Cb 0.00 -1.04 0.49 0.00 -1.03 0.00 0.00 41.12 39.54 1a8c n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a8c h ALA 38 N 1.64 3.12 -0.95 2.12 0.00 -1.88 0.22 119.26 123.52 1a8c h ALA 38 Ca 0.38 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.54 1a8c h ALA 38 Cb 0.88 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.60 1a8c h ALA 38 CO 0.99 -1.86 0.31 0.00 0.00 0.00 0.00 179.25 178.70 1a8c h ALA 39 N 0.60 1.55 0.00 0.00 0.00 -1.89 2.30 119.26 121.82 1a8c h ALA 39 Ca 0.56 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.61 1a8c h ALA 39 Cb 3.06 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 21.19 1a8c h ALA 39 CO -0.01 -0.60 -0.54 1.79 0.00 0.00 0.00 179.25 179.89 1a8c h THR 40 N 0.15 1.06 0.02 0.00 1.35 -0.97 -2.52 112.91 112.00 1a8c h THR 40 Ca 0.65 -2.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1a8c h THR 40 Cb 1.46 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 1a8c h THR 40 CO -0.73 0.53 -0.01 0.22 -0.25 0.00 0.00 175.52 175.28 1a8c h TYR 41 N 0.00 -0.03 0.00 4.73 5.03 0.34 -3.26 116.97 123.78 1a8c h TYR 41 Ca -0.01 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1a8c h TYR 41 Cb 1.23 0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.52 1a8c h TYR 41 CO 0.00 -0.02 0.13 1.28 -1.32 0.00 0.00 178.16 178.23 1a8c n LEU 42 N -2.27 0.33 0.19 2.82 4.77 0.20 -0.13 117.00 122.90 1a8c n LEU 42 Ca -0.00 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 1a8c n LEU 42 Cb 0.01 -0.61 0.63 0.00 -2.33 0.00 0.00 43.42 41.12 1a8c n LEU 42 CO 0.01 -0.71 0.87 0.00 -1.33 0.00 0.00 177.39 176.23 1a8c h ALA 43 N 1.63 1.04 0.00 -1.18 0.00 -1.49 0.49 119.26 119.75 1a8c h ALA 43 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1a8c h ALA 43 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1a8c h ALA 43 CO 0.00 -0.04 -0.79 0.78 0.00 0.00 0.00 179.25 179.21 1a8c h GLY 44 N 0.00 0.00 0.79 0.00 0.00 -0.72 -3.35 103.07 99.79 1a8c h GLY 44 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1a8c h GLY 44 CO 0.00 0.00 -1.86 0.28 0.00 0.00 0.00 176.54 174.96 1a8c n LYS 45 N -2.88 0.70 -0.12 4.80 5.02 0.16 -2.03 118.16 123.81 1a8c n LYS 45 Ca -0.01 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1a8c n LYS 45 Cb 0.62 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1a8c n LYS 45 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1a8c h ILE 46 N 0.04 0.50 0.00 -0.18 2.04 -1.36 0.21 117.51 118.77 1a8c h ILE 46 Ca -0.36 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.24 1a8c h ILE 46 Cb 2.03 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 1a8c h ILE 46 CO 0.09 0.00 -1.38 0.50 0.00 0.00 0.00 178.15 177.36 1a8c h LYS 47 N -0.06 0.01 0.00 2.37 3.64 -1.69 -3.23 116.57 117.61 1a8c h LYS 47 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1a8c h LYS 47 Cb 0.37 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1a8c h LYS 47 CO -0.46 0.75 0.00 0.41 -2.27 0.00 0.00 179.45 177.88 1a8c n GLY 48 N 1.47 -0.80 1.09 5.01 0.00 -0.78 -4.28 105.19 106.90 1a8c n GLY 48 Ca -0.09 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1a8c n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8c n GLY 49 N -0.15 -2.51 3.24 -0.02 0.00 0.66 -4.92 105.19 101.49 1a8c n GLY 49 Ca 0.05 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 1a8c n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a8c s SER 50 N -6.69 1.98 0.12 1.61 0.15 -1.23 -4.83 113.70 104.81 1a8c s SER 50 Ca 0.00 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1a8c s SER 50 Cb 0.00 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1a8c s SER 50 CO 0.00 -0.15 0.00 -1.20 1.20 0.00 0.00 173.24 173.09 1a8c n SER 51 N 0.52 0.32 -0.96 5.45 7.64 -1.26 -3.26 113.62 122.08 1a8c n SER 51 Ca -0.15 0.20 0.05 0.00 1.01 0.00 0.00 58.87 59.98 1a8c n SER 51 Cb 0.57 0.01 0.10 0.00 -1.01 0.00 0.00 64.21 63.89 1a8c n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a8c n GLY 52 N 2.47 2.94 0.11 0.23 0.00 -1.26 -4.67 105.19 105.00 1a8c n GLY 52 Ca 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 1a8c n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a8c h VAL 53 N 4.05 0.85 0.00 1.61 2.07 -1.97 -3.42 116.25 119.44 1a8c h VAL 53 Ca -0.10 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1a8c h VAL 53 Cb 1.43 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1a8c h VAL 53 CO 0.04 0.48 -0.04 0.79 0.02 0.00 0.00 177.57 178.87 1a8c n TRP 54 N -3.12 0.00 0.00 1.57 7.02 -1.26 -5.06 117.44 116.59 1a8c n TRP 54 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1a8c n TRP 54 Cb 0.81 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.69 1a8c n TRP 54 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a8c n GLY 55 N 3.37 0.57 0.00 6.99 0.00 -1.26 -5.13 105.19 109.72 1a8c n GLY 55 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a8c n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a8c n GLN 56 N 0.00 1.20 -2.50 1.61 3.00 -1.26 -5.02 117.38 114.41 1a8c n GLN 56 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1a8c n GLN 56 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1a8c n GLN 56 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1a8c s ILE 57 N 0.00 4.46 -0.13 5.09 1.09 -1.25 -4.97 121.20 125.49 1a8c s ILE 57 Ca 0.00 1.27 -0.29 0.00 -1.10 0.00 0.00 60.65 60.53 1a8c s ILE 57 Cb 0.00 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 1a8c s ILE 57 CO 0.00 -0.58 1.62 -2.16 -0.10 0.00 0.00 174.94 173.72 1a8c s PRO 58 N -3.83 4.02 0.30 2.79 0.04 -1.26 -4.83 135.00 132.22 1a8c s PRO 58 Ca 0.60 1.95 -0.27 0.00 0.04 0.00 0.00 61.00 63.32 1a8c s PRO 58 Cb -0.10 -4.00 -0.10 0.00 0.04 0.00 0.00 34.50 30.35 1a8c s PRO 58 CO 0.27 -1.03 0.94 1.41 0.04 0.00 0.00 177.00 178.63 1a8c s MET 59 N 4.29 4.66 1.09 4.56 1.75 -1.20 -4.92 119.30 129.53 1a8c s MET 59 Ca 0.72 1.38 -0.16 0.00 -1.25 0.00 0.00 55.69 56.37 1a8c s MET 59 Cb -0.29 -2.93 0.24 0.00 2.84 0.00 0.00 34.83 34.68 1a8c s MET 59 CO 0.28 0.34 1.12 -1.25 -0.65 0.00 0.00 175.02 174.87 1a8c s PRO 60 N -1.81 -0.36 -1.10 4.11 0.04 -1.26 -3.54 135.00 131.08 1a8c s PRO 60 Ca 0.48 0.12 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1a8c s PRO 60 Cb -0.21 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1a8c s PRO 60 CO 0.26 -3.17 1.76 -1.25 0.04 0.00 0.00 177.00 174.63 1a8c s PRO 61 N -5.29 3.18 -0.24 0.56 0.04 -1.26 -4.43 135.00 127.56 1a8c s PRO 61 Ca 0.69 -1.15 0.02 0.00 0.04 0.00 0.00 61.00 60.60 1a8c s PRO 61 Cb -0.13 -5.30 0.06 0.00 0.04 0.00 0.00 34.50 29.17 1a8c s PRO 61 CO 0.56 -2.93 -0.08 0.54 0.04 0.00 0.00 177.00 175.13 1a8c s ASN 62 N 5.90 4.03 0.00 6.66 2.20 -1.22 -4.93 114.94 127.58 1a8c s ASN 62 Ca 0.59 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 51.28 1a8c s ASN 62 Cb -0.01 -1.33 0.00 0.00 -2.00 0.00 0.00 41.25 37.91 1a8c s ASN 62 CO 0.02 -0.21 0.34 0.52 -2.94 0.00 0.00 177.10 174.84 1a8c n VAL 63 N 4.58 0.00 0.15 3.54 0.31 -1.26 -3.87 118.33 121.78 1a8c n VAL 63 Ca -0.13 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 1a8c n VAL 63 Cb 0.44 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1a8c n VAL 63 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1a8c n ASN 64 N -1.37 -1.75 0.00 4.52 4.05 -1.26 -4.71 115.26 114.74 1a8c n ASN 64 Ca 0.00 0.56 0.00 0.00 0.45 0.00 0.00 54.58 55.59 1a8c n ASN 64 Cb 0.00 1.77 0.00 0.00 1.23 0.00 0.00 39.78 42.78 1a8c n ASN 64 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1a8c n VAL 65 N -3.26 0.00 0.00 3.44 0.31 -1.26 -4.80 118.33 112.76 1a8c n VAL 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a8c n VAL 65 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1a8c n VAL 65 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1a8c n SER 66 N -0.49 0.00 0.00 4.52 7.64 -1.26 -4.87 113.62 119.17 1a8c n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a8c n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a8c n SER 66 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1a8c n ASP 67 N 0.00 0.00 -0.06 6.43 8.00 -1.26 -4.53 116.55 125.13 1a8c n ASP 67 Ca 0.00 0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.29 1a8c n ASP 67 Cb 0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 1a8c n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a8c n ALA 68 N -1.03 0.82 -0.24 2.24 0.00 -1.26 -3.93 120.51 117.11 1a8c n ALA 68 Ca 0.00 -0.52 0.31 0.00 0.00 0.00 0.00 53.44 53.23 1a8c n ALA 68 Cb 0.00 -0.60 0.61 0.00 0.00 0.00 0.00 19.45 19.46 1a8c n ALA 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a8c h ASP 69 N -0.62 0.00 -0.02 0.00 3.32 -1.98 0.51 116.42 117.62 1a8c h ASP 69 Ca -0.38 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1a8c h ASP 69 Cb 1.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 1a8c h ASP 69 CO -0.11 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.38 1a8c h ALA 70 N 0.93 0.03 -0.28 3.45 0.00 -1.80 -3.27 119.26 118.32 1a8c h ALA 70 Ca 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a8c h ALA 70 Cb 2.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.34 1a8c h ALA 70 CO -0.01 -0.17 0.18 -0.22 0.00 0.00 0.00 179.25 179.03 1a8c h LYS 71 N -0.48 0.38 -1.16 0.00 3.64 -0.16 -1.66 116.57 117.14 1a8c h LYS 71 Ca 0.00 -0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.69 1a8c h LYS 71 Cb 0.59 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1a8c h LYS 71 CO 0.01 0.29 1.09 0.00 -2.27 0.00 0.00 179.45 178.57 1a8c h ALA 72 N 1.07 3.05 0.08 5.00 0.00 -1.45 0.11 119.26 127.13 1a8c h ALA 72 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a8c h ALA 72 Cb -0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a8c h ALA 72 CO -0.02 -1.69 -0.04 -0.07 0.00 0.00 0.00 179.25 177.43 1a8c h LEU 73 N 0.00 -0.10 -1.75 0.00 3.38 -1.37 -3.24 115.31 112.25 1a8c h LEU 73 Ca 0.55 -0.29 0.48 0.00 0.09 0.00 0.00 57.88 58.71 1a8c h LEU 73 Cb 2.73 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 43.44 1a8c h LEU 73 CO -0.01 0.52 1.32 0.00 0.09 0.00 0.00 178.44 180.36 1a8c h ALA 74 N -0.65 3.56 0.19 1.53 0.00 -0.78 0.58 119.26 123.69 1a8c h ALA 74 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1a8c h ALA 74 Cb 0.38 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a8c h ALA 74 CO 0.02 -2.16 -0.09 -0.44 0.00 0.00 0.00 179.25 176.57 1a8c h ASP 75 N 0.00 -0.22 0.08 0.00 3.32 -1.53 -2.79 116.42 115.28 1a8c h ASP 75 Ca 0.78 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.52 1a8c h ASP 75 Cb 3.41 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 43.01 1a8c h ASP 75 CO -0.01 0.26 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.51 1a8c h TRP 76 N -0.77 0.00 -0.05 4.55 7.01 0.08 -1.27 115.95 125.50 1a8c h TRP 76 Ca -0.03 0.00 -0.19 0.00 2.11 0.00 0.00 58.89 60.78 1a8c h TRP 76 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1a8c h TRP 76 CO 0.06 0.01 -0.79 0.82 -2.79 0.00 0.00 178.44 175.76 1a8c h ILE 77 N 0.00 1.40 -0.00 2.65 2.04 -1.11 -2.91 117.51 119.59 1a8c h ILE 77 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1a8c h ILE 77 Cb 0.05 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1a8c h ILE 77 CO 0.00 0.68 -0.09 0.18 0.00 0.00 0.00 178.15 178.92 1a8c n LEU 78 N -3.79 0.25 -1.44 1.44 4.77 -0.51 -3.53 117.00 114.18 1a8c n LEU 78 Ca -0.05 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1a8c n LEU 78 Cb 0.74 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.66 1a8c n LEU 78 CO 0.48 0.05 0.25 0.41 -1.33 0.00 0.00 177.39 177.25 1a8c n THR 79 N -1.19 2.37 1.42 -5.08 -1.04 -1.02 -4.67 114.28 105.07 1a8c n THR 79 Ca 0.13 -3.79 0.14 0.00 -2.04 0.00 0.00 64.05 58.48 1a8c n THR 79 Cb 0.28 -0.74 0.50 0.00 -1.82 0.00 0.00 70.33 68.55 1a8c n THR 79 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a8c n LEU 80 N -0.87 1.16 -0.04 -4.42 4.77 -1.16 -4.98 117.00 111.46 1a8c n LEU 80 Ca 0.33 -0.34 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1a8c n LEU 80 Cb 0.86 -0.06 0.92 0.00 -2.33 0.00 0.00 43.42 42.80 1a8c n LEU 80 CO 0.21 0.20 1.09 0.29 -1.33 0.00 0.00 177.39 177.86