#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a n VAL 2 N 0.00 1.11 -4.03 3.17 3.14 -1.26 -1.73 118.33 118.72 3d5a n VAL 2 Ca 0.00 -0.28 -0.08 0.00 -2.96 0.00 0.00 64.34 61.02 3d5a n VAL 2 Cb 0.00 -1.47 -0.10 0.00 -1.06 0.00 0.00 33.84 31.21 3d5a n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3d5a s LYS 3 N -0.63 0.52 -0.32 1.45 1.02 -1.25 -3.62 119.74 116.91 3d5a s LYS 3 Ca 0.66 -0.98 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 3d5a s LYS 3 Cb -0.64 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.85 3d5a s LYS 3 CO 0.52 -0.10 0.17 0.42 -0.92 0.00 0.00 175.35 175.43 3d5a s ILE 4 N -3.04 4.72 0.29 2.17 1.09 -1.26 -1.60 121.20 123.57 3d5a s ILE 4 Ca -0.01 -0.39 0.02 0.00 -1.10 0.00 0.00 60.65 59.16 3d5a s ILE 4 Cb 0.02 -3.41 -0.01 0.00 -1.06 0.00 0.00 42.46 38.00 3d5a s ILE 4 CO -0.07 0.05 0.34 -2.11 -0.10 0.00 0.00 174.94 173.05 3d5a n ARG 5 N 5.00 0.49 -3.35 2.79 1.85 -0.51 -2.76 116.66 120.16 3d5a n ARG 5 Ca -0.14 -2.60 -0.42 0.00 -1.00 0.00 0.00 57.85 53.69 3d5a n ARG 5 Cb 0.49 2.32 -0.09 0.00 -1.05 0.00 0.00 32.46 34.14 3d5a n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3d5a s LEU 6 N 0.00 4.69 0.24 2.89 1.02 -1.26 -0.55 118.68 125.71 3d5a s LEU 6 Ca 0.29 -0.49 -0.25 0.00 0.02 0.00 0.00 54.13 53.69 3d5a s LEU 6 Cb 0.00 -2.37 -0.09 0.00 0.02 0.00 0.00 46.19 43.76 3d5a s LEU 6 CO 0.21 -0.48 0.85 0.00 0.02 0.00 0.00 176.35 176.94 3d5a s ALA 7 N 2.09 3.35 -0.05 4.21 0.00 -0.22 -4.73 121.76 126.40 3d5a s ALA 7 Ca 0.12 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 3d5a s ALA 7 Cb -0.17 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3d5a s ALA 7 CO 0.13 0.25 0.11 0.50 0.00 0.00 0.00 175.76 176.75 3d5a s ARG 8 N -1.58 3.26 0.00 0.00 3.52 -1.26 0.12 118.95 123.01 3d5a s ARG 8 Ca 0.42 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 3d5a s ARG 8 Cb -0.21 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3d5a s ARG 8 CO 0.26 0.70 0.00 1.19 -0.81 0.00 0.00 175.30 176.64 3d5a n PHE 9 N 1.53 -0.22 -0.06 5.12 3.72 -0.19 -4.81 117.46 122.54 3d5a n PHE 9 Ca -0.16 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.25 3d5a n PHE 9 Cb 0.54 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.07 3d5a n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d5a n GLY 10 N 0.00 -1.44 3.91 1.37 0.00 -1.26 -2.37 105.19 105.40 3d5a n GLY 10 Ca 0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 3d5a n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d5a s SER 11 N -2.81 4.54 0.30 1.61 0.01 -1.20 -4.90 113.70 111.25 3d5a s SER 11 Ca 0.00 0.71 -0.30 0.00 1.31 0.00 0.00 55.95 57.67 3d5a s SER 11 Cb 0.00 -1.23 -0.11 0.00 0.21 0.00 0.00 66.02 64.89 3d5a s SER 11 CO 0.00 -1.86 1.54 -0.75 0.41 0.00 0.00 173.24 172.58 3d5a s LYS 12 N -5.52 4.15 0.00 12.44 2.20 -1.26 -0.95 119.74 130.81 3d5a s LYS 12 Ca 0.62 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.75 3d5a s LYS 12 Cb -0.11 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3d5a s LYS 12 CO 0.48 -0.56 0.00 0.72 -0.36 0.00 0.00 175.35 175.63 3d5a n HIS 13 N 1.80 0.00 -2.88 4.03 8.25 -1.26 -4.83 115.22 120.33 3d5a n HIS 13 Ca 0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 3d5a n HIS 13 Cb 0.38 -0.85 -0.03 0.00 1.12 0.00 0.00 29.99 30.61 3d5a n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3d5a n ASN 14 N 0.00 4.75 -4.75 0.41 5.15 -0.12 -5.08 115.26 115.61 3d5a n ASN 14 Ca 0.00 -3.69 -0.41 0.00 -0.60 0.00 0.00 54.58 49.87 3d5a n ASN 14 Cb 0.00 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 3d5a n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3d5a s PRO 15 N -3.55 4.22 -0.14 1.20 0.02 -1.25 -3.27 135.00 132.23 3d5a s PRO 15 Ca 0.48 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.85 3d5a s PRO 15 Cb 0.28 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.79 3d5a s PRO 15 CO -0.14 -0.46 0.10 -1.01 -0.33 0.00 0.00 177.00 175.16 3d5a s HIS 16 N -0.20 0.09 0.35 6.54 3.76 -1.00 -4.38 115.29 120.45 3d5a s HIS 16 Ca 0.59 -0.08 -0.04 0.00 -0.15 0.00 0.00 55.06 55.38 3d5a s HIS 16 Cb -0.44 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 3d5a s HIS 16 CO 0.47 -0.44 0.61 0.71 -0.85 0.00 0.00 174.74 175.24 3d5a s TYR 17 N 2.18 3.50 -0.34 1.40 1.51 -0.44 -1.03 117.35 124.12 3d5a s TYR 17 Ca 0.03 0.62 -0.00 0.00 -1.01 0.00 0.00 57.07 56.71 3d5a s TYR 17 Cb -0.15 -2.10 0.11 0.00 -0.11 0.00 0.00 41.96 39.71 3d5a s TYR 17 CO -0.08 0.05 0.14 0.50 -1.11 0.00 0.00 175.55 175.05 3d5a s ARG 18 N -4.02 0.84 -0.07 -0.62 3.52 0.33 -1.42 118.95 117.50 3d5a s ARG 18 Ca 0.44 -1.31 -0.32 0.00 -0.13 0.00 0.00 55.73 54.41 3d5a s ARG 18 Cb -0.10 -2.03 -0.10 0.00 -1.56 0.00 0.00 34.95 31.16 3d5a s ARG 18 CO 0.35 -1.04 1.96 -0.89 -0.81 0.00 0.00 175.30 174.87 3d5a n ILE 19 N 4.49 0.61 -3.51 4.11 5.41 -0.52 -1.06 119.36 128.90 3d5a n ILE 19 Ca 0.01 -0.16 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 3d5a n ILE 19 Cb 0.40 -2.09 -0.05 0.00 -0.71 0.00 0.00 39.64 37.19 3d5a n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3d5a s VAL 20 N 4.76 0.00 0.02 1.39 0.11 0.29 -1.98 120.40 125.00 3d5a s VAL 20 Ca 0.93 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.73 3d5a s VAL 20 Cb -0.58 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.23 3d5a s VAL 20 CO 0.47 -0.02 0.67 0.68 -3.33 0.00 0.00 175.10 173.58 3d5a s VAL 21 N -1.80 4.81 0.00 2.04 -7.23 -1.15 -1.43 120.40 115.64 3d5a s VAL 21 Ca -0.08 1.42 0.00 0.00 -1.81 0.00 0.00 61.98 61.51 3d5a s VAL 21 Cb -0.00 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.92 3d5a s VAL 21 CO 0.04 0.40 0.00 0.35 -0.31 0.00 0.00 175.10 175.58 3d5a n THR 22 N 2.71 0.00 -3.74 5.32 -2.24 -0.63 0.50 114.28 116.21 3d5a n THR 22 Ca -0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3d5a n THR 22 Cb 0.51 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 3d5a n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d5a s ASP 23 N 1.10 -0.40 0.51 3.42 -1.08 -1.26 -3.87 116.67 115.08 3d5a s ASP 23 Ca 0.00 0.76 0.26 0.00 -0.52 0.00 0.00 52.55 53.04 3d5a s ASP 23 Cb 0.00 0.74 1.35 0.00 -1.46 0.00 0.00 42.92 43.55 3d5a s ASP 23 CO 0.00 -0.14 1.93 0.00 0.52 0.00 0.00 175.17 177.47 3d5a h ALA 24 N 5.93 2.56 -0.25 3.66 0.00 -1.67 0.42 119.26 129.92 3d5a h ALA 24 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3d5a h ALA 24 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3d5a h ALA 24 CO 0.28 -0.78 0.00 0.54 0.00 0.00 0.00 179.25 179.29 3d5a n ARG 25 N -4.36 2.52 0.00 0.00 1.74 -1.26 -4.81 116.66 110.49 3d5a n ARG 25 Ca 0.15 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.94 3d5a n ARG 25 Cb 0.76 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3d5a n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d5a n ARG 26 N 0.28 3.63 -3.61 5.56 5.12 0.15 -5.16 116.66 122.64 3d5a n ARG 26 Ca 0.11 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.88 3d5a n ARG 26 Cb 0.60 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.84 3d5a n ARG 26 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3d5a n LYS 27 N 0.00 0.41 0.00 5.56 0.00 -1.26 -5.04 118.16 117.83 3d5a n LYS 27 Ca 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 58.31 55.94 3d5a n LYS 27 Cb 0.00 1.73 0.00 0.00 -0.00 0.00 0.00 35.03 36.76 3d5a n LYS 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3d5a n ARG 28 N -0.51 0.00 -0.04 -1.58 0.63 -1.26 -3.61 116.66 110.29 3d5a n ARG 28 Ca 0.02 0.38 0.01 0.00 -0.92 0.00 0.00 57.85 57.35 3d5a n ARG 28 Cb 0.43 -1.24 0.03 0.00 0.45 0.00 0.00 32.46 32.12 3d5a n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3d5a n ASP 29 N -1.65 0.51 -4.44 6.15 8.00 -1.26 -4.50 116.55 119.36 3d5a n ASP 29 Ca 0.00 -2.01 -0.29 0.00 0.71 0.00 0.00 54.79 53.20 3d5a n ASP 29 Cb 0.00 -0.13 0.18 0.00 -0.02 0.00 0.00 41.12 41.16 3d5a n ASP 29 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d5a s GLY 30 N -0.83 1.59 0.33 0.44 0.00 -1.24 -4.96 107.32 102.65 3d5a s GLY 30 Ca 0.04 -0.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 3d5a s GLY 30 CO 0.02 0.04 1.20 1.17 0.00 0.00 0.00 173.10 175.54 3d5a n LYS 31 N -4.19 1.87 -4.31 2.90 4.81 -1.26 -4.93 118.16 113.05 3d5a n LYS 31 Ca 0.08 0.66 -0.25 0.00 -0.87 0.00 0.00 58.31 57.93 3d5a n LYS 31 Cb 0.59 -2.18 -0.08 0.00 0.02 0.00 0.00 35.03 33.38 3d5a n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3d5a s TYR 32 N -1.09 2.57 0.02 5.64 -0.00 -1.26 -4.88 117.35 118.35 3d5a s TYR 32 Ca 0.57 -0.47 -0.13 0.00 -0.00 0.00 0.00 57.07 57.04 3d5a s TYR 32 Cb -0.61 -1.58 -0.34 0.00 -0.00 0.00 0.00 41.96 39.44 3d5a s TYR 32 CO 0.61 0.43 0.96 0.82 -0.00 0.00 0.00 175.55 178.37 3d5a h ILE 33 N 1.74 1.25 -0.80 -3.49 1.08 -0.26 -3.47 117.51 113.57 3d5a h ILE 33 Ca -0.43 -2.73 0.19 0.00 -0.39 0.00 0.00 64.86 61.50 3d5a h ILE 33 Cb 1.25 2.97 -0.24 0.00 -3.07 0.00 0.00 36.82 37.74 3d5a h ILE 33 CO 0.68 0.83 0.21 -0.70 -0.69 0.00 0.00 178.15 178.48 3d5a s GLU 34 N -2.61 0.26 -0.44 2.37 -6.30 -1.19 -5.01 118.70 105.79 3d5a s GLU 34 Ca -0.09 0.61 -0.28 0.00 -2.50 0.00 0.00 54.97 52.70 3d5a s GLU 34 Cb 0.05 0.36 0.01 0.00 0.00 0.00 0.00 34.13 34.55 3d5a s GLU 34 CO 0.92 -0.14 1.46 0.21 0.02 0.00 0.00 175.26 177.73 3d5a s LYS 35 N 2.54 3.47 -0.16 4.30 2.20 -1.26 -2.93 119.74 127.90 3d5a s LYS 35 Ca -0.01 0.87 -0.17 0.00 -0.36 0.00 0.00 55.97 56.30 3d5a s LYS 35 Cb -0.07 -4.07 -0.14 0.00 -1.51 0.00 0.00 37.83 32.04 3d5a s LYS 35 CO -0.16 -1.70 0.24 -0.84 -0.36 0.00 0.00 175.35 172.53 3d5a h ILE 36 N 6.49 0.80 -1.89 5.43 3.07 -1.92 -3.49 117.51 126.00 3d5a h ILE 36 Ca -0.28 -1.77 0.00 0.00 1.55 0.00 0.00 64.86 64.36 3d5a h ILE 36 Cb 1.11 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 3d5a h ILE 36 CO 1.10 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 179.08 3d5a n GLY 37 N 1.58 3.27 3.37 0.16 0.00 -0.84 -3.15 105.19 109.57 3d5a n GLY 37 Ca -0.15 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 3d5a n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d5a s TYR 38 N -4.69 1.40 -0.29 1.61 -0.85 -0.62 -1.44 117.35 112.48 3d5a s TYR 38 Ca 0.00 -1.48 -0.16 0.00 -0.52 0.00 0.00 57.07 54.91 3d5a s TYR 38 Cb 0.00 -0.43 0.13 0.00 0.38 0.00 0.00 41.96 42.04 3d5a s TYR 38 CO 0.00 -0.96 0.90 -0.47 -1.52 0.00 0.00 175.55 173.50 3d5a s TYR 39 N -3.36 -0.69 -0.39 -3.49 5.04 -0.51 -2.56 117.35 111.39 3d5a s TYR 39 Ca 0.36 1.39 -0.09 0.00 -2.44 0.00 0.00 57.07 56.29 3d5a s TYR 39 Cb 0.02 0.42 0.06 0.00 0.35 0.00 0.00 41.96 42.80 3d5a s TYR 39 CO 0.23 -0.34 0.20 0.34 -1.34 0.00 0.00 175.55 174.64 3d5a s ASP 40 N 1.39 5.57 0.39 4.32 3.68 0.12 -1.33 116.67 130.81 3d5a s ASP 40 Ca -0.09 -1.29 0.08 0.00 2.13 0.00 0.00 52.55 53.39 3d5a s ASP 40 Cb -0.04 -1.96 0.84 0.00 -1.45 0.00 0.00 42.92 40.31 3d5a s ASP 40 CO -0.16 -0.44 1.97 1.55 0.13 0.00 0.00 175.17 178.22 3d5a h PRO 41 N 8.36 0.61 0.00 4.34 0.13 -1.85 -1.50 132.00 142.09 3d5a h PRO 41 Ca -0.23 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3d5a h PRO 41 Cb 1.09 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3d5a h PRO 41 CO 0.69 0.41 -0.18 0.54 -0.23 0.00 0.00 178.00 179.22 3d5a n ARG 42 N -4.48 0.18 -3.44 0.86 1.74 -1.26 -4.96 116.66 105.29 3d5a n ARG 42 Ca 0.10 0.12 -0.19 0.00 -0.77 0.00 0.00 57.85 57.11 3d5a n ARG 42 Cb 0.26 -1.68 0.07 0.00 -1.02 0.00 0.00 32.46 30.09 3d5a n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3d5a n LYS 43 N -1.98 -3.97 0.00 5.56 5.02 -0.56 -4.99 118.16 117.24 3d5a n LYS 43 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3d5a n LYS 43 Cb 0.40 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 3d5a n LYS 43 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3d5a n THR 44 N -3.82 0.00 -1.25 -0.18 -2.24 -1.26 -4.86 114.28 100.67 3d5a n THR 44 Ca -0.18 0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.57 3d5a n THR 44 Cb 0.64 -0.97 0.10 0.00 -2.10 0.00 0.00 70.33 68.01 3d5a n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d5a s THR 45 N 0.00 2.80 -1.42 4.28 -4.23 -1.26 -4.86 115.64 110.95 3d5a s THR 45 Ca 0.00 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 3d5a s THR 45 Cb 0.00 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3d5a s THR 45 CO 0.00 -0.29 0.23 -0.81 -0.54 0.00 0.00 174.62 173.20 3d5a n PRO 46 N -3.33 0.32 -1.46 3.99 -0.04 -1.26 -2.88 135.00 130.34 3d5a n PRO 46 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 3d5a n PRO 46 Cb 0.52 -1.09 0.10 0.00 -0.04 0.00 0.00 33.50 32.98 3d5a n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d5a n ASP 47 N -0.01 3.36 -0.04 3.54 8.00 -1.26 -4.83 116.55 125.30 3d5a n ASP 47 Ca 0.00 -3.68 0.00 0.00 0.71 0.00 0.00 54.79 51.82 3d5a n ASP 47 Cb 0.05 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3d5a n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3d5a n TRP 48 N -0.83 0.00 -3.64 1.24 4.27 -1.14 -4.62 117.44 112.72 3d5a n TRP 48 Ca 0.31 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.82 3d5a n TRP 48 Cb 0.86 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.73 3d5a n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3d5a s LEU 49 N -0.92 -0.64 -0.28 5.67 2.96 -1.26 0.12 118.68 124.33 3d5a s LEU 49 Ca 0.00 1.18 -0.25 0.00 -0.22 0.00 0.00 54.13 54.84 3d5a s LEU 49 Cb 0.00 2.17 0.11 0.00 0.50 0.00 0.00 46.19 48.96 3d5a s LEU 49 CO 0.00 -0.20 0.94 -0.75 -1.32 0.00 0.00 176.35 175.02 3d5a s LYS 50 N 0.60 0.60 -0.06 1.98 2.36 -1.06 -5.00 119.74 119.15 3d5a s LYS 50 Ca -0.01 0.73 -0.04 0.00 -2.55 0.00 0.00 55.97 54.09 3d5a s LYS 50 Cb -0.05 0.29 0.02 0.00 -1.05 0.00 0.00 37.83 37.04 3d5a s LYS 50 CO -0.06 -0.07 0.15 0.08 1.55 0.00 0.00 175.35 176.99 3d5a s VAL 51 N 0.32 -0.02 -1.19 4.02 1.01 -1.26 -1.59 120.40 121.69 3d5a s VAL 51 Ca 0.02 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 3d5a s VAL 51 Cb -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.12 3d5a s VAL 51 CO -0.05 0.03 1.75 -0.62 0.00 0.00 0.00 175.10 176.22 3d5a s ASP 52 N 0.54 6.20 0.63 3.32 -1.08 -1.19 -4.80 116.67 120.29 3d5a s ASP 52 Ca -0.04 -1.93 0.37 0.00 -0.52 0.00 0.00 52.55 50.42 3d5a s ASP 52 Cb -0.05 -2.58 2.08 0.00 -1.46 0.00 0.00 42.92 40.91 3d5a s ASP 52 CO -0.03 -1.83 2.28 -0.37 0.52 0.00 0.00 175.17 175.75 3d5a h VAL 53 N 6.08 0.26 0.25 1.11 -1.51 -1.96 -1.39 116.25 119.10 3d5a h VAL 53 Ca 0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.78 3d5a h VAL 53 Cb 0.92 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3d5a h VAL 53 CO 1.38 0.00 -0.12 -0.33 -1.23 0.00 0.00 177.57 177.26 3d5a h GLU 54 N 0.00 -0.33 0.00 5.19 4.39 -2.01 -2.13 114.58 119.69 3d5a h GLU 54 Ca 0.01 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3d5a h GLU 54 Cb 0.08 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3d5a h GLU 54 CO -0.00 -0.22 -0.25 0.00 -1.16 0.00 0.00 179.01 177.38 3d5a h ARG 55 N -0.35 0.00 -0.75 2.33 3.08 -1.95 -2.27 114.38 114.47 3d5a h ARG 55 Ca -0.03 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.12 3d5a h ARG 55 Cb 0.26 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 3d5a h ARG 55 CO 0.06 0.25 0.37 0.00 -1.07 0.00 0.00 179.97 179.58 3d5a h ALA 56 N 1.75 1.05 -0.55 0.04 0.00 -1.23 0.61 119.26 120.93 3d5a h ALA 56 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d5a h ALA 56 Cb 0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3d5a h ALA 56 CO 0.03 -0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.54 3d5a h ARG 57 N 0.59 0.74 0.11 0.00 2.47 -0.78 -2.82 114.38 114.70 3d5a h ARG 57 Ca 0.38 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3d5a h ARG 57 Cb 0.45 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3d5a h ARG 57 CO -0.30 0.54 -0.11 -0.92 0.56 0.00 0.00 179.97 179.74 3d5a h TYR 58 N 0.73 -0.29 0.00 3.04 3.20 -0.84 0.97 116.97 123.79 3d5a h TYR 58 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3d5a h TYR 58 Cb -0.01 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3d5a h TYR 58 CO -0.02 -0.17 0.00 -1.49 -1.64 0.00 0.00 178.16 174.83 3d5a h TRP 59 N -0.25 0.00 0.00 -3.82 -0.00 -1.02 0.16 115.95 111.02 3d5a h TRP 59 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.61 3d5a h TRP 59 Cb 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.35 3d5a h TRP 59 CO -0.12 0.00 -1.78 1.28 -0.00 0.00 0.00 178.44 177.82 3d5a n LEU 60 N -2.89 0.74 0.24 -4.49 4.77 -0.56 -2.96 117.00 111.85 3d5a n LEU 60 Ca -0.02 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 3d5a n LEU 60 Cb 0.12 0.21 0.57 0.00 -2.33 0.00 0.00 43.42 41.99 3d5a n LEU 60 CO 0.20 0.38 0.97 -1.28 -1.33 0.00 0.00 177.39 176.32 3d5a h SER 61 N 0.00 0.00 0.20 -1.43 0.87 0.37 0.19 113.55 113.75 3d5a h SER 61 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3d5a h SER 61 Cb 2.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 3d5a h SER 61 CO 0.07 0.11 -0.35 1.33 -0.53 0.00 0.00 176.83 177.46 3d5a n VAL 62 N -4.37 0.00 -1.80 2.23 0.24 -0.36 -5.03 118.33 109.23 3d5a n VAL 62 Ca -0.03 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.34 62.12 3d5a n VAL 62 Cb 0.18 0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 33.12 3d5a n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d5a n GLY 63 N 1.37 -3.71 2.54 7.63 0.00 0.68 -5.06 105.19 108.64 3d5a n GLY 63 Ca 0.11 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 3d5a n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5a s ALA 64 N -0.21 0.59 -0.46 4.61 0.00 -1.16 -4.91 121.76 120.22 3d5a s ALA 64 Ca -0.08 -1.39 -0.41 0.00 0.00 0.00 0.00 51.96 50.07 3d5a s ALA 64 Cb 0.01 -1.58 -0.17 0.00 0.00 0.00 0.00 23.12 21.38 3d5a s ALA 64 CO 0.23 -1.92 2.15 1.04 0.00 0.00 0.00 175.76 177.26 3d5a n GLN 65 N 4.58 0.31 -2.88 0.00 1.13 -1.24 -4.23 117.38 115.05 3d5a n GLN 65 Ca 0.05 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.85 3d5a n GLN 65 Cb 0.40 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.91 3d5a n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3d5a s PRO 66 N 6.06 4.30 0.83 -1.09 0.04 -1.26 -4.02 135.00 139.85 3d5a s PRO 66 Ca 1.17 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 3d5a s PRO 66 Cb -1.32 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 30.84 3d5a s PRO 66 CO 0.61 0.13 1.07 2.41 0.04 0.00 0.00 177.00 181.26 3d5a n THR 67 N -0.13 1.59 -0.09 1.26 -1.04 -1.11 -4.66 114.28 110.09 3d5a n THR 67 Ca 0.04 -0.19 0.05 0.00 -2.04 0.00 0.00 64.05 61.91 3d5a n THR 67 Cb 0.52 -1.09 0.39 0.00 -1.82 0.00 0.00 70.33 68.34 3d5a n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3d5a h ASP 68 N -1.04 0.57 1.85 8.00 3.32 -1.96 0.26 116.42 127.41 3d5a h ASP 68 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3d5a h ASP 68 Cb 1.30 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3d5a h ASP 68 CO 0.44 0.39 -0.14 0.71 -1.72 0.00 0.00 179.24 178.92 3d5a h THR 69 N 0.66 0.00 -0.01 0.35 1.35 -1.97 -2.93 112.91 110.37 3d5a h THR 69 Ca 0.23 -0.99 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 3d5a h THR 69 Cb 0.10 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3d5a h THR 69 CO -0.06 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.13 3d5a h ALA 70 N 2.01 0.02 -1.01 6.62 0.00 -1.39 -3.10 119.26 122.41 3d5a h ALA 70 Ca 0.00 -0.38 0.26 0.00 0.00 0.00 0.00 54.91 54.79 3d5a h ALA 70 Cb 0.99 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 3d5a h ALA 70 CO 0.00 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.78 3d5a h ARG 71 N -0.60 0.51 0.12 0.00 2.47 -0.58 0.05 114.38 116.36 3d5a h ARG 71 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3d5a h ARG 71 Cb 0.79 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 3d5a h ARG 71 CO 0.02 0.34 -0.22 -0.09 0.56 0.00 0.00 179.97 180.58 3d5a h ARG 72 N 0.53 -0.35 -0.99 0.04 2.43 -1.49 0.14 114.38 114.69 3d5a h ARG 72 Ca 0.66 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.95 3d5a h ARG 72 Cb 1.33 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.88 3d5a h ARG 72 CO -0.48 -0.23 0.63 -0.07 -1.51 0.00 0.00 179.97 178.30 3d5a h LEU 73 N -0.36 0.95 -0.46 3.80 3.38 -1.20 -0.54 115.31 120.87 3d5a h LEU 73 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3d5a h LEU 73 Cb 0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3d5a h LEU 73 CO -0.08 0.55 0.13 -0.07 0.09 0.00 0.00 178.44 179.06 3d5a h LEU 74 N 1.04 0.69 -0.45 1.67 3.38 -0.82 0.10 115.31 120.91 3d5a h LEU 74 Ca 0.46 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3d5a h LEU 74 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3d5a h LEU 74 CO -0.22 0.73 0.01 -0.09 0.09 0.00 0.00 178.44 178.95 3d5a h ARG 75 N 0.61 0.79 0.00 1.13 2.43 0.17 -1.19 114.38 118.33 3d5a h ARG 75 Ca 0.15 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3d5a h ARG 75 Cb 0.30 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3d5a h ARG 75 CO -0.00 0.85 -0.11 1.96 -1.51 0.00 0.00 179.97 181.16 3d5a h GLN 76 N 0.64 0.00 -0.43 0.20 4.20 -1.01 0.12 115.11 118.84 3d5a h GLN 76 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3d5a h GLN 76 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3d5a h GLN 76 CO 0.02 0.11 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 3d5a n ALA 77 N -2.22 2.44 -3.42 3.87 0.00 0.01 -4.98 120.51 116.21 3d5a n ALA 77 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 53.44 52.44 3d5a n ALA 77 Cb 0.26 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.75 3d5a n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5a n GLY 78 N 1.27 -1.03 0.08 0.00 0.00 0.03 -4.93 105.19 100.60 3d5a n GLY 78 Ca 0.16 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 3d5a n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5a n VAL 79 N -1.66 1.06 0.90 1.61 0.31 -0.91 -4.45 118.33 115.18 3d5a n VAL 79 Ca -0.13 -0.77 0.10 0.00 -0.01 0.00 0.00 64.34 63.53 3d5a n VAL 79 Cb 0.61 -0.38 0.05 0.00 -0.91 0.00 0.00 33.84 33.21 3d5a n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3d5a n PHE 80 N -2.65 0.00 -2.56 3.52 3.01 -1.26 -4.97 117.46 112.55 3d5a n PHE 80 Ca -0.25 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.85 3d5a n PHE 80 Cb 1.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.43 3d5a n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3d5a s ARG 81 N -2.01 4.24 0.00 -1.08 3.52 -1.26 -4.91 118.95 117.45 3d5a s ARG 81 Ca 0.21 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 3d5a s ARG 81 Cb 0.17 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 3d5a s ARG 81 CO 0.38 -0.07 0.00 0.00 -0.81 0.00 0.00 175.30 174.80 3d5a n GLN 82 N 0.09 0.00 -0.63 5.12 0.00 -1.26 -5.13 117.38 115.57 3d5a n GLN 82 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.04 3d5a n GLN 82 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 30.24 30.60 3d5a n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45