#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5c n VAL 2 N 0.00 1.01 -4.05 3.17 3.14 -1.26 -1.66 118.33 118.68 3d5c n VAL 2 Ca 0.00 -0.25 -0.08 0.00 -2.96 0.00 0.00 64.34 61.05 3d5c n VAL 2 Cb 0.00 -1.49 -0.10 0.00 -1.06 0.00 0.00 33.84 31.18 3d5c n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3d5c s LYS 3 N -0.49 0.51 -0.32 1.45 1.02 -1.25 -3.62 119.74 117.04 3d5c s LYS 3 Ca 0.67 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 3d5c s LYS 3 Cb -0.64 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 3d5c s LYS 3 CO 0.50 -0.09 0.17 0.42 -0.92 0.00 0.00 175.35 175.43 3d5c s ILE 4 N -3.03 4.72 0.30 2.17 1.09 -1.26 -1.58 121.20 123.61 3d5c s ILE 4 Ca -0.01 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.16 3d5c s ILE 4 Cb 0.02 -3.42 -0.01 0.00 -1.06 0.00 0.00 42.46 37.99 3d5c s ILE 4 CO -0.07 0.04 0.35 -2.11 -0.10 0.00 0.00 174.94 173.05 3d5c n ARG 5 N 5.00 0.50 -3.34 2.79 1.85 -0.52 -2.75 116.66 120.20 3d5c n ARG 5 Ca -0.14 -2.70 -0.42 0.00 -1.00 0.00 0.00 57.85 53.59 3d5c n ARG 5 Cb 0.49 2.41 -0.09 0.00 -1.05 0.00 0.00 32.46 34.22 3d5c n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3d5c s LEU 6 N 0.00 4.68 0.24 2.89 1.02 -1.26 -0.61 118.68 125.63 3d5c s LEU 6 Ca 0.30 -0.48 -0.26 0.00 0.02 0.00 0.00 54.13 53.72 3d5c s LEU 6 Cb 0.00 -2.39 -0.09 0.00 0.02 0.00 0.00 46.19 43.73 3d5c s LEU 6 CO 0.22 -0.50 0.85 0.00 0.02 0.00 0.00 176.35 176.94 3d5c s ALA 7 N 2.13 3.35 -0.06 4.21 0.00 -0.23 -4.73 121.76 126.44 3d5c s ALA 7 Ca 0.13 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3d5c s ALA 7 Cb -0.17 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3d5c s ALA 7 CO 0.13 0.25 0.11 0.50 0.00 0.00 0.00 175.76 176.75 3d5c s ARG 8 N -1.55 3.26 0.00 0.00 3.52 -1.26 0.12 118.95 123.04 3d5c s ARG 8 Ca 0.42 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 3d5c s ARG 8 Cb -0.21 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3d5c s ARG 8 CO 0.26 0.71 0.00 1.19 -0.81 0.00 0.00 175.30 176.65 3d5c n PHE 9 N 1.56 -0.24 -0.01 5.12 3.72 -0.21 -4.81 117.46 122.60 3d5c n PHE 9 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3d5c n PHE 9 Cb 0.54 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3d5c n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d5c n GLY 10 N 0.00 -1.41 3.91 1.37 0.00 -1.26 -2.32 105.19 105.47 3d5c n GLY 10 Ca 0.00 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 3d5c n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d5c s SER 11 N -2.66 4.50 0.30 1.61 0.01 -1.20 -4.91 113.70 111.36 3d5c s SER 11 Ca 0.00 0.68 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 3d5c s SER 11 Cb 0.00 -1.18 -0.11 0.00 0.21 0.00 0.00 66.02 64.94 3d5c s SER 11 CO 0.00 -1.88 1.53 -0.75 0.41 0.00 0.00 173.24 172.55 3d5c s LYS 12 N -5.52 4.16 0.00 12.44 2.20 -1.26 -0.95 119.74 130.81 3d5c s LYS 12 Ca 0.62 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 3d5c s LYS 12 Cb -0.11 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3d5c s LYS 12 CO 0.48 -0.56 0.00 0.72 -0.36 0.00 0.00 175.35 175.64 3d5c n HIS 13 N 1.84 0.00 -2.90 4.03 8.25 -1.26 -4.84 115.22 120.35 3d5c n HIS 13 Ca 0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 3d5c n HIS 13 Cb 0.38 -0.85 -0.03 0.00 1.12 0.00 0.00 29.99 30.61 3d5c n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3d5c n ASN 14 N 0.00 4.73 -4.75 0.41 5.15 -0.12 -5.08 115.26 115.60 3d5c n ASN 14 Ca 0.00 -3.69 -0.41 0.00 -0.60 0.00 0.00 54.58 49.87 3d5c n ASN 14 Cb 0.00 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 3d5c n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3d5c s PRO 15 N -3.55 4.22 -0.14 1.20 0.02 -1.25 -3.24 135.00 132.27 3d5c s PRO 15 Ca 0.48 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.85 3d5c s PRO 15 Cb 0.28 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 31.78 3d5c s PRO 15 CO -0.14 -0.47 0.10 -1.01 -0.33 0.00 0.00 177.00 175.14 3d5c s HIS 16 N -0.11 0.11 0.34 6.54 3.76 -0.98 -4.37 115.29 120.58 3d5c s HIS 16 Ca 0.60 -0.10 -0.04 0.00 -0.15 0.00 0.00 55.06 55.37 3d5c s HIS 16 Cb -0.44 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 3d5c s HIS 16 CO 0.46 -0.43 0.60 0.71 -0.85 0.00 0.00 174.74 175.22 3d5c s TYR 17 N 2.17 3.50 -0.34 1.40 1.51 -0.43 -1.04 117.35 124.10 3d5c s TYR 17 Ca 0.03 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 3d5c s TYR 17 Cb -0.15 -2.09 0.11 0.00 -0.11 0.00 0.00 41.96 39.72 3d5c s TYR 17 CO -0.08 0.07 0.14 0.50 -1.11 0.00 0.00 175.55 175.07 3d5c s ARG 18 N -3.97 0.85 -0.07 -0.62 3.52 0.33 -1.37 118.95 117.61 3d5c s ARG 18 Ca 0.44 -1.32 -0.32 0.00 -0.13 0.00 0.00 55.73 54.39 3d5c s ARG 18 Cb -0.10 -2.05 -0.10 0.00 -1.56 0.00 0.00 34.95 31.14 3d5c s ARG 18 CO 0.34 -1.04 1.96 -0.89 -0.81 0.00 0.00 175.30 174.86 3d5c n ILE 19 N 4.48 0.61 -3.52 4.11 5.41 -0.47 -1.07 119.36 128.92 3d5c n ILE 19 Ca 0.01 -0.16 -0.17 0.00 1.00 0.00 0.00 62.75 63.44 3d5c n ILE 19 Cb 0.40 -2.08 -0.05 0.00 -0.71 0.00 0.00 39.64 37.20 3d5c n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3d5c s VAL 20 N 4.78 0.00 0.03 1.39 0.11 0.22 -1.96 120.40 124.97 3d5c s VAL 20 Ca 0.93 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.72 3d5c s VAL 20 Cb -0.58 -0.99 -0.06 0.00 -1.53 0.00 0.00 36.38 33.23 3d5c s VAL 20 CO 0.47 -0.02 0.69 0.68 -3.33 0.00 0.00 175.10 173.59 3d5c s VAL 21 N -1.68 4.78 0.00 2.04 -7.23 -1.15 -1.44 120.40 115.72 3d5c s VAL 21 Ca -0.09 1.46 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 3d5c s VAL 21 Cb -0.00 -4.03 0.00 0.00 0.56 0.00 0.00 36.38 32.90 3d5c s VAL 21 CO 0.05 0.40 0.00 0.35 -0.31 0.00 0.00 175.10 175.59 3d5c n THR 22 N 2.67 0.00 -3.74 5.32 -2.24 -0.62 0.53 114.28 116.21 3d5c n THR 22 Ca -0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3d5c n THR 22 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 3d5c n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d5c s ASP 23 N 1.11 -0.39 0.50 3.42 -1.08 -1.26 -3.86 116.67 115.12 3d5c s ASP 23 Ca 0.00 0.73 0.25 0.00 -0.52 0.00 0.00 52.55 53.02 3d5c s ASP 23 Cb 0.00 0.72 1.33 0.00 -1.46 0.00 0.00 42.92 43.51 3d5c s ASP 23 CO 0.00 -0.14 1.92 0.00 0.52 0.00 0.00 175.17 177.47 3d5c h ALA 24 N 5.93 2.54 -0.24 3.66 0.00 -1.65 0.40 119.26 129.90 3d5c h ALA 24 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3d5c h ALA 24 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3d5c h ALA 24 CO 0.29 -0.76 0.00 0.54 0.00 0.00 0.00 179.25 179.32 3d5c n ARG 25 N -4.37 2.49 0.00 0.00 1.74 -1.26 -4.81 116.66 110.45 3d5c n ARG 25 Ca 0.16 -1.25 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 3d5c n ARG 25 Cb 0.76 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3d5c n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d5c n ARG 26 N 0.27 3.58 -3.53 5.56 5.12 0.14 -5.16 116.66 122.64 3d5c n ARG 26 Ca 0.11 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.89 3d5c n ARG 26 Cb 0.59 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.84 3d5c n ARG 26 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3d5c n LYS 27 N 0.00 0.44 0.00 5.56 0.00 -1.26 -5.04 118.16 117.85 3d5c n LYS 27 Ca 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 58.31 56.06 3d5c n LYS 27 Cb 0.00 1.60 0.00 0.00 -0.00 0.00 0.00 35.03 36.63 3d5c n LYS 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3d5c n ARG 28 N -0.50 0.00 -0.04 -1.58 0.63 -1.26 -3.63 116.66 110.28 3d5c n ARG 28 Ca 0.02 0.40 0.01 0.00 -0.92 0.00 0.00 57.85 57.36 3d5c n ARG 28 Cb 0.40 -1.24 0.03 0.00 0.45 0.00 0.00 32.46 32.10 3d5c n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3d5c n ASP 29 N -1.70 0.56 -4.47 6.15 8.00 -1.26 -4.49 116.55 119.34 3d5c n ASP 29 Ca 0.00 -2.02 -0.29 0.00 0.71 0.00 0.00 54.79 53.19 3d5c n ASP 29 Cb 0.00 -0.13 0.18 0.00 -0.02 0.00 0.00 41.12 41.15 3d5c n ASP 29 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d5c s GLY 30 N -0.84 1.59 0.33 0.44 0.00 -1.24 -4.96 107.32 102.64 3d5c s GLY 30 Ca 0.05 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.86 3d5c s GLY 30 CO 0.03 0.04 1.18 1.17 0.00 0.00 0.00 173.10 175.52 3d5c n LYS 31 N -4.15 1.82 -4.31 2.90 4.81 -1.26 -4.93 118.16 113.04 3d5c n LYS 31 Ca 0.08 0.64 -0.25 0.00 -0.87 0.00 0.00 58.31 57.92 3d5c n LYS 31 Cb 0.59 -2.16 -0.08 0.00 0.02 0.00 0.00 35.03 33.40 3d5c n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3d5c s TYR 32 N -1.10 2.56 0.03 5.64 -0.00 -1.26 -4.88 117.35 118.34 3d5c s TYR 32 Ca 0.57 -0.46 -0.13 0.00 -0.00 0.00 0.00 57.07 57.06 3d5c s TYR 32 Cb -0.61 -1.55 -0.34 0.00 -0.00 0.00 0.00 41.96 39.46 3d5c s TYR 32 CO 0.61 0.44 0.97 0.82 -0.00 0.00 0.00 175.55 178.40 3d5c h ILE 33 N 1.75 1.27 -0.78 -3.49 1.08 -0.23 -3.47 117.51 113.65 3d5c h ILE 33 Ca -0.43 -2.75 0.19 0.00 -0.39 0.00 0.00 64.86 61.49 3d5c h ILE 33 Cb 1.25 2.98 -0.24 0.00 -3.07 0.00 0.00 36.82 37.75 3d5c h ILE 33 CO 0.67 0.83 0.21 -0.70 -0.69 0.00 0.00 178.15 178.48 3d5c s GLU 34 N -2.61 0.26 -0.44 2.37 -6.30 -1.19 -5.01 118.70 105.78 3d5c s GLU 34 Ca -0.09 0.60 -0.28 0.00 -2.50 0.00 0.00 54.97 52.69 3d5c s GLU 34 Cb 0.05 0.36 0.01 0.00 0.00 0.00 0.00 34.13 34.54 3d5c s GLU 34 CO 0.92 -0.14 1.46 0.21 0.02 0.00 0.00 175.26 177.73 3d5c s LYS 35 N 2.54 3.47 -0.16 4.30 2.20 -1.26 -2.95 119.74 127.88 3d5c s LYS 35 Ca -0.01 0.89 -0.18 0.00 -0.36 0.00 0.00 55.97 56.31 3d5c s LYS 35 Cb -0.07 -4.07 -0.15 0.00 -1.51 0.00 0.00 37.83 32.04 3d5c s LYS 35 CO -0.16 -1.70 0.25 -0.84 -0.36 0.00 0.00 175.35 172.54 3d5c h ILE 36 N 6.50 0.82 -1.90 5.43 3.07 -1.92 -3.49 117.51 126.01 3d5c h ILE 36 Ca -0.28 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.34 3d5c h ILE 36 Cb 1.11 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 3d5c h ILE 36 CO 1.10 0.28 0.00 0.61 -1.05 0.00 0.00 178.15 179.09 3d5c n GLY 37 N 1.57 3.24 3.36 0.16 0.00 -0.83 -3.13 105.19 109.56 3d5c n GLY 37 Ca -0.16 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 3d5c n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d5c s TYR 38 N -4.78 1.42 -0.29 1.61 -0.85 -0.62 -1.37 117.35 112.48 3d5c s TYR 38 Ca 0.00 -1.49 -0.17 0.00 -0.52 0.00 0.00 57.07 54.90 3d5c s TYR 38 Cb 0.00 -0.45 0.13 0.00 0.38 0.00 0.00 41.96 42.02 3d5c s TYR 38 CO 0.00 -0.96 0.91 -0.47 -1.52 0.00 0.00 175.55 173.51 3d5c s TYR 39 N -3.36 -0.68 -0.38 -3.49 5.04 -0.47 -2.58 117.35 111.43 3d5c s TYR 39 Ca 0.36 1.38 -0.08 0.00 -2.44 0.00 0.00 57.07 56.29 3d5c s TYR 39 Cb 0.02 0.41 0.05 0.00 0.35 0.00 0.00 41.96 42.79 3d5c s TYR 39 CO 0.23 -0.34 0.19 0.34 -1.34 0.00 0.00 175.55 174.64 3d5c s ASP 40 N 1.34 5.54 0.38 4.32 3.68 0.12 -1.32 116.67 130.73 3d5c s ASP 40 Ca -0.08 -1.28 0.08 0.00 2.13 0.00 0.00 52.55 53.40 3d5c s ASP 40 Cb -0.04 -1.95 0.82 0.00 -1.45 0.00 0.00 42.92 40.30 3d5c s ASP 40 CO -0.15 -0.43 1.97 1.55 0.13 0.00 0.00 175.17 178.24 3d5c h PRO 41 N 8.34 0.64 0.00 4.34 0.13 -1.85 -1.62 132.00 141.97 3d5c h PRO 41 Ca -0.23 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3d5c h PRO 41 Cb 1.09 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3d5c h PRO 41 CO 0.68 0.42 -0.17 0.54 -0.23 0.00 0.00 178.00 179.24 3d5c n ARG 42 N -4.48 0.18 -3.44 0.86 1.74 -1.26 -4.96 116.66 105.30 3d5c n ARG 42 Ca 0.10 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 57.11 3d5c n ARG 42 Cb 0.25 -1.68 0.07 0.00 -1.02 0.00 0.00 32.46 30.08 3d5c n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3d5c n LYS 43 N -1.98 -4.10 0.00 5.56 5.02 -0.61 -4.99 118.16 117.07 3d5c n LYS 43 Ca 0.05 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3d5c n LYS 43 Cb 0.40 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 3d5c n LYS 43 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3d5c n THR 44 N -3.82 0.00 -1.25 -0.18 -2.24 -1.26 -4.85 114.28 100.68 3d5c n THR 44 Ca -0.19 0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.57 3d5c n THR 44 Cb 0.64 -0.97 0.10 0.00 -2.10 0.00 0.00 70.33 68.00 3d5c n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d5c s THR 45 N 0.00 2.79 -1.44 4.28 -4.23 -1.26 -4.86 115.64 110.93 3d5c s THR 45 Ca 0.00 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 3d5c s THR 45 Cb 0.00 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3d5c s THR 45 CO 0.00 -0.29 0.22 -0.81 -0.54 0.00 0.00 174.62 173.20 3d5c n PRO 46 N -3.32 0.31 -1.43 3.99 -0.04 -1.26 -2.88 135.00 130.37 3d5c n PRO 46 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 3d5c n PRO 46 Cb 0.52 -1.09 0.10 0.00 -0.04 0.00 0.00 33.50 32.99 3d5c n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d5c n ASP 47 N -0.02 3.27 -0.05 3.54 8.00 -1.26 -4.83 116.55 125.21 3d5c n ASP 47 Ca 0.00 -3.68 0.00 0.00 0.71 0.00 0.00 54.79 51.82 3d5c n ASP 47 Cb 0.04 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3d5c n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3d5c n TRP 48 N -0.83 0.00 -3.64 1.24 4.27 -1.14 -4.62 117.44 112.72 3d5c n TRP 48 Ca 0.30 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.81 3d5c n TRP 48 Cb 0.85 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.73 3d5c n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3d5c s LEU 49 N -0.91 -0.65 -0.28 5.67 2.96 -1.26 0.14 118.68 124.35 3d5c s LEU 49 Ca 0.00 1.19 -0.24 0.00 -0.22 0.00 0.00 54.13 54.86 3d5c s LEU 49 Cb 0.00 2.17 0.10 0.00 0.50 0.00 0.00 46.19 48.97 3d5c s LEU 49 CO 0.00 -0.20 0.92 -0.75 -1.32 0.00 0.00 176.35 175.00 3d5c s LYS 50 N 0.64 0.61 -0.05 1.98 2.36 -1.06 -5.00 119.74 119.21 3d5c s LYS 50 Ca -0.02 0.75 -0.04 0.00 -2.55 0.00 0.00 55.97 54.12 3d5c s LYS 50 Cb -0.05 0.29 0.02 0.00 -1.05 0.00 0.00 37.83 37.05 3d5c s LYS 50 CO -0.07 -0.08 0.13 0.08 1.55 0.00 0.00 175.35 176.97 3d5c s VAL 51 N 0.35 -0.02 -1.19 4.02 1.01 -1.26 -1.59 120.40 121.72 3d5c s VAL 51 Ca 0.01 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 3d5c s VAL 51 Cb -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.14 3d5c s VAL 51 CO -0.05 0.03 1.75 -0.62 0.00 0.00 0.00 175.10 176.22 3d5c s ASP 52 N 0.57 6.20 0.63 3.32 -1.08 -1.19 -4.80 116.67 120.31 3d5c s ASP 52 Ca -0.04 -1.93 0.35 0.00 -0.52 0.00 0.00 52.55 50.41 3d5c s ASP 52 Cb -0.06 -2.58 2.02 0.00 -1.46 0.00 0.00 42.92 40.84 3d5c s ASP 52 CO -0.03 -1.83 2.26 -0.37 0.52 0.00 0.00 175.17 175.72 3d5c h VAL 53 N 6.09 0.29 0.25 1.11 -1.51 -1.96 -1.46 116.25 119.06 3d5c h VAL 53 Ca 0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.78 3d5c h VAL 53 Cb 0.92 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 3d5c h VAL 53 CO 1.38 0.00 -0.12 -0.33 -1.23 0.00 0.00 177.57 177.26 3d5c h GLU 54 N 0.00 -0.33 0.00 5.19 4.39 -2.01 -2.09 114.58 119.73 3d5c h GLU 54 Ca 0.01 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 3d5c h GLU 54 Cb 0.12 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3d5c h GLU 54 CO -0.00 -0.22 -0.24 0.00 -1.16 0.00 0.00 179.01 177.39 3d5c h ARG 55 N -0.35 0.00 -0.73 2.33 3.08 -1.96 -2.31 114.38 114.45 3d5c h ARG 55 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.12 3d5c h ARG 55 Cb 0.26 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 3d5c h ARG 55 CO 0.06 0.24 0.35 0.00 -1.07 0.00 0.00 179.97 179.55 3d5c h ALA 56 N 1.76 1.01 -0.56 0.04 0.00 -1.24 0.63 119.26 120.90 3d5c h ALA 56 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d5c h ALA 56 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3d5c h ALA 56 CO 0.03 -0.07 0.34 0.00 0.00 0.00 0.00 179.25 179.55 3d5c h ARG 57 N 0.58 0.76 0.11 0.00 2.47 -0.79 -2.82 114.38 114.68 3d5c h ARG 57 Ca 0.37 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 3d5c h ARG 57 Cb 0.43 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3d5c h ARG 57 CO -0.30 0.54 -0.10 -0.92 0.56 0.00 0.00 179.97 179.75 3d5c h TYR 58 N 0.75 -0.27 0.00 3.04 3.20 -0.84 0.99 116.97 123.84 3d5c h TYR 58 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3d5c h TYR 58 Cb -0.02 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3d5c h TYR 58 CO -0.02 -0.16 0.00 -1.49 -1.64 0.00 0.00 178.16 174.84 3d5c h TRP 59 N -0.23 0.00 0.00 -3.82 -0.00 -1.00 0.15 115.95 111.04 3d5c h TRP 59 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.60 3d5c h TRP 59 Cb 0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.33 3d5c h TRP 59 CO -0.11 0.00 -1.79 1.28 -0.00 0.00 0.00 178.44 177.82 3d5c n LEU 60 N -2.90 0.74 0.24 -4.49 4.77 -0.56 -2.97 117.00 111.83 3d5c n LEU 60 Ca -0.02 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 3d5c n LEU 60 Cb 0.12 0.21 0.57 0.00 -2.33 0.00 0.00 43.42 41.99 3d5c n LEU 60 CO 0.20 0.38 0.98 -1.28 -1.33 0.00 0.00 177.39 176.34 3d5c h SER 61 N 0.00 0.00 0.20 -1.43 0.87 0.37 0.21 113.55 113.77 3d5c h SER 61 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3d5c h SER 61 Cb 2.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 3d5c h SER 61 CO 0.07 0.10 -0.34 1.33 -0.53 0.00 0.00 176.83 177.46 3d5c n VAL 62 N -4.40 0.00 -1.82 2.23 0.24 -0.35 -5.03 118.33 109.19 3d5c n VAL 62 Ca -0.03 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.34 62.12 3d5c n VAL 62 Cb 0.18 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 3d5c n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d5c n GLY 63 N 1.37 -3.73 2.53 7.63 0.00 0.73 -5.06 105.19 108.66 3d5c n GLY 63 Ca 0.11 0.28 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 3d5c n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5c s ALA 64 N -0.22 0.61 -0.47 4.61 0.00 -1.16 -4.91 121.76 120.22 3d5c s ALA 64 Ca -0.09 -1.42 -0.41 0.00 0.00 0.00 0.00 51.96 50.04 3d5c s ALA 64 Cb 0.01 -1.58 -0.17 0.00 0.00 0.00 0.00 23.12 21.37 3d5c s ALA 64 CO 0.24 -1.93 2.17 1.04 0.00 0.00 0.00 175.76 177.27 3d5c n GLN 65 N 4.55 0.29 -2.86 0.00 1.13 -1.24 -4.22 117.38 115.03 3d5c n GLN 65 Ca 0.05 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.85 3d5c n GLN 65 Cb 0.40 -1.76 -0.07 0.00 0.11 0.00 0.00 30.24 28.92 3d5c n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3d5c s PRO 66 N 6.13 4.30 0.84 -1.09 0.04 -1.26 -4.02 135.00 139.94 3d5c s PRO 66 Ca 1.17 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 3d5c s PRO 66 Cb -1.32 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 30.88 3d5c s PRO 66 CO 0.61 0.10 1.07 2.41 0.04 0.00 0.00 177.00 181.24 3d5c n THR 67 N -0.19 1.44 -0.07 1.26 -1.04 -1.11 -4.67 114.28 109.91 3d5c n THR 67 Ca 0.05 -0.18 0.04 0.00 -2.04 0.00 0.00 64.05 61.92 3d5c n THR 67 Cb 0.53 -1.07 0.39 0.00 -1.82 0.00 0.00 70.33 68.35 3d5c n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3d5c h ASP 68 N -1.12 0.55 1.87 8.00 3.32 -1.96 0.22 116.42 127.30 3d5c h ASP 68 Ca -0.45 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3d5c h ASP 68 Cb 1.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3d5c h ASP 68 CO 0.44 0.39 -0.13 0.71 -1.72 0.00 0.00 179.24 178.93 3d5c h THR 69 N 0.64 0.02 -0.01 0.35 1.35 -1.97 -2.94 112.91 110.35 3d5c h THR 69 Ca 0.20 -1.02 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 3d5c h THR 69 Cb 0.03 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3d5c h THR 69 CO -0.05 0.01 -0.11 0.00 -0.25 0.00 0.00 175.52 175.12 3d5c h ALA 70 N 1.99 0.03 -1.01 6.62 0.00 -1.41 -3.11 119.26 122.38 3d5c h ALA 70 Ca -0.00 -0.39 0.25 0.00 0.00 0.00 0.00 54.91 54.77 3d5c h ALA 70 Cb 1.01 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 3d5c h ALA 70 CO 0.00 -0.03 0.60 0.00 0.00 0.00 0.00 179.25 179.81 3d5c h ARG 71 N -0.56 0.54 0.10 0.00 2.47 -0.65 0.14 114.38 116.41 3d5c h ARG 71 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3d5c h ARG 71 Cb 0.82 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 3d5c h ARG 71 CO 0.02 0.36 -0.20 -0.09 0.56 0.00 0.00 179.97 180.62 3d5c h ARG 72 N 0.56 -0.31 -0.98 0.04 2.43 -1.49 0.16 114.38 114.79 3d5c h ARG 72 Ca 0.65 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.95 3d5c h ARG 72 Cb 1.27 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.82 3d5c h ARG 72 CO -0.48 -0.21 0.62 -0.07 -1.51 0.00 0.00 179.97 178.32 3d5c h LEU 73 N -0.33 0.92 -0.45 3.80 3.38 -1.21 -0.49 115.31 120.93 3d5c h LEU 73 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3d5c h LEU 73 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3d5c h LEU 73 CO -0.08 0.53 0.12 -0.07 0.09 0.00 0.00 178.44 179.02 3d5c h LEU 74 N 1.01 0.68 -0.44 1.67 3.38 -0.79 0.17 115.31 120.99 3d5c h LEU 74 Ca 0.46 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3d5c h LEU 74 Cb 0.39 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3d5c h LEU 74 CO -0.22 0.73 0.00 -0.09 0.09 0.00 0.00 178.44 178.96 3d5c h ARG 75 N 0.60 0.77 0.00 1.13 2.43 0.23 -1.21 114.38 118.33 3d5c h ARG 75 Ca 0.14 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3d5c h ARG 75 Cb 0.31 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3d5c h ARG 75 CO 0.00 0.84 -0.10 1.96 -1.51 0.00 0.00 179.97 181.15 3d5c h GLN 76 N 0.61 0.00 -0.42 0.20 4.20 -1.00 0.18 115.11 118.87 3d5c h GLN 76 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3d5c h GLN 76 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3d5c h GLN 76 CO 0.02 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 3d5c n ALA 77 N -2.22 2.44 -3.44 3.87 0.00 0.04 -4.98 120.51 116.22 3d5c n ALA 77 Ca -0.01 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.45 3d5c n ALA 77 Cb 0.26 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.74 3d5c n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5c n GLY 78 N 1.26 -1.07 0.08 0.00 0.00 0.05 -4.93 105.19 100.57 3d5c n GLY 78 Ca 0.16 0.72 -0.04 0.00 0.00 0.00 0.00 46.02 46.86 3d5c n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5c n VAL 79 N -1.78 1.05 0.89 1.61 0.31 -0.90 -4.45 118.33 115.06 3d5c n VAL 79 Ca -0.15 -0.76 0.10 0.00 -0.01 0.00 0.00 64.34 63.53 3d5c n VAL 79 Cb 0.61 -0.40 0.04 0.00 -0.91 0.00 0.00 33.84 33.19 3d5c n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3d5c n PHE 80 N -2.66 0.00 -2.55 3.52 3.01 -1.26 -4.97 117.46 112.56 3d5c n PHE 80 Ca -0.24 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.86 3d5c n PHE 80 Cb 0.99 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.42 3d5c n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3d5c s ARG 81 N -2.01 4.21 0.00 -1.08 3.52 -1.26 -4.91 118.95 117.43 3d5c s ARG 81 Ca 0.21 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 3d5c s ARG 81 Cb 0.17 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.97 3d5c s ARG 81 CO 0.38 -0.10 0.00 0.00 -0.81 0.00 0.00 175.30 174.77 3d5c n GLN 82 N 0.03 0.00 -0.62 5.12 0.00 -1.26 -5.13 117.38 115.52 3d5c n GLN 82 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.04 3d5c n GLN 82 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 30.24 30.61 3d5c n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45