#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy s VAL 2 N 0.00 5.40 0.00 3.17 0.11 -1.26 0.11 120.40 127.93 3huy s VAL 2 Ca 0.00 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3huy s VAL 2 Cb 0.00 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 3huy s VAL 2 CO 0.00 0.49 0.00 0.29 -3.33 0.00 0.00 175.10 172.55 3huy n LYS 3 N 3.02 2.48 -3.19 1.54 4.76 0.58 -3.85 118.16 123.50 3huy n LYS 3 Ca -0.16 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.32 3huy n LYS 3 Cb 0.53 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.70 3huy n LYS 3 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3huy s ILE 4 N 1.58 -0.49 0.00 -0.18 1.01 -1.25 -3.47 121.20 118.40 3huy s ILE 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3huy s ILE 4 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3huy s ILE 4 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 174.94 172.83 3huy n ARG 5 N 5.37 0.00 -3.48 2.79 1.85 -0.19 -2.64 116.66 120.36 3huy n ARG 5 Ca -0.06 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.40 3huy n ARG 5 Cb 0.53 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.84 3huy n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3huy s LEU 6 N 0.00 4.07 -0.78 2.89 1.02 -1.26 -0.04 118.68 124.57 3huy s LEU 6 Ca 0.00 0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.14 3huy s LEU 6 Cb 0.00 -2.28 0.21 0.00 0.02 0.00 0.00 46.19 44.14 3huy s LEU 6 CO 0.00 -0.14 0.70 0.00 0.02 0.00 0.00 176.35 176.93 3huy s ALA 7 N 1.92 3.98 -0.16 4.21 0.00 -1.24 -4.82 121.76 125.64 3huy s ALA 7 Ca 0.11 -3.31 -0.29 0.00 0.00 0.00 0.00 51.96 48.47 3huy s ALA 7 Cb -0.16 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3huy s ALA 7 CO 0.11 -2.24 2.05 0.50 0.00 0.00 0.00 175.76 176.17 3huy s ARG 8 N 0.10 3.49 0.00 0.00 3.52 -1.26 -2.64 118.95 122.16 3huy s ARG 8 Ca 0.18 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 3huy s ARG 8 Cb -0.12 -4.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.00 3huy s ARG 8 CO -0.08 -1.69 0.00 1.19 -0.81 0.00 0.00 175.30 173.91 3huy n PHE 9 N 10.11 0.00 0.00 5.12 0.99 0.24 -4.91 117.46 129.01 3huy n PHE 9 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.70 3huy n PHE 9 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.92 3huy n PHE 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3huy n GLY 10 N 5.00 2.05 0.00 1.37 0.00 -1.24 -3.62 105.19 108.76 3huy n GLY 10 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3huy n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3huy n SER 11 N 8.78 0.00 -4.71 1.61 7.64 -0.26 -4.98 113.62 121.71 3huy n SER 11 Ca 0.00 -0.58 -0.42 0.00 1.01 0.00 0.00 58.87 58.88 3huy n SER 11 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3huy n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3huy s LYS 12 N -0.73 4.41 -0.81 1.43 2.20 -1.26 -2.58 119.74 122.40 3huy s LYS 12 Ca 0.00 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 3huy s LYS 12 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3huy s LYS 12 CO 0.00 -0.31 0.00 0.72 -0.36 0.00 0.00 175.35 175.40 3huy n HIS 13 N 4.31 -0.09 -2.84 4.03 8.25 -1.26 -4.77 115.22 122.86 3huy n HIS 13 Ca 0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.35 3huy n HIS 13 Cb 0.46 -2.29 -0.01 0.00 1.12 0.00 0.00 29.99 29.27 3huy n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3huy n ASN 14 N -0.52 2.91 -4.77 0.41 5.15 -1.06 -5.10 115.26 112.28 3huy n ASN 14 Ca -0.08 -3.30 -0.41 0.00 -0.60 0.00 0.00 54.58 50.19 3huy n ASN 14 Cb 0.47 -0.55 -0.00 0.00 -0.53 0.00 0.00 39.78 39.17 3huy n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3huy s PRO 15 N -3.14 4.10 -0.33 1.20 0.02 -1.25 -1.10 135.00 134.50 3huy s PRO 15 Ca 0.42 2.60 0.05 0.00 0.02 0.00 0.00 61.00 64.09 3huy s PRO 15 Cb 0.37 -2.98 0.18 0.00 0.02 0.00 0.00 34.50 32.09 3huy s PRO 15 CO -0.10 -0.59 0.53 -1.01 -0.33 0.00 0.00 177.00 175.51 3huy s HIS 16 N -0.77 -1.48 0.60 6.54 3.76 -1.24 -4.48 115.29 118.21 3huy s HIS 16 Ca 0.56 0.53 -0.09 0.00 -0.15 0.00 0.00 55.06 55.91 3huy s HIS 16 Cb -0.47 0.13 0.13 0.00 1.11 0.00 0.00 32.58 33.48 3huy s HIS 16 CO 0.59 -1.07 0.81 0.66 -0.85 0.00 0.00 174.74 174.88 3huy n TYR 17 N 5.06 -3.85 -3.30 1.40 4.02 -0.98 -0.59 117.16 118.92 3huy n TYR 17 Ca 0.06 -0.81 -0.10 0.00 -0.01 0.00 0.00 57.90 57.04 3huy n TYR 17 Cb 0.53 -0.62 -0.05 0.00 -0.02 0.00 0.00 39.34 39.18 3huy n TYR 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3huy s ARG 18 N -4.72 0.69 -0.62 -0.72 3.52 -1.08 -3.33 118.95 112.69 3huy s ARG 18 Ca 0.47 -0.59 -0.14 0.00 -0.13 0.00 0.00 55.73 55.33 3huy s ARG 18 Cb -0.01 -0.41 -0.16 0.00 -1.56 0.00 0.00 34.95 32.80 3huy s ARG 18 CO 0.33 -1.19 1.55 -0.89 -0.81 0.00 0.00 175.30 174.29 3huy n ILE 19 N 4.36 0.00 -4.01 4.11 2.08 0.64 -3.69 119.36 122.85 3huy n ILE 19 Ca 0.11 -0.11 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 3huy n ILE 19 Cb 0.50 -0.20 -0.14 0.00 -0.75 0.00 0.00 39.64 39.04 3huy n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3huy s VAL 20 N 3.63 0.20 -0.24 1.39 0.11 0.94 -0.81 120.40 125.63 3huy s VAL 20 Ca 0.83 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.57 3huy s VAL 20 Cb -0.69 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3huy s VAL 20 CO 0.32 0.06 0.66 0.54 -3.33 0.00 0.00 175.10 173.35 3huy s VAL 21 N -0.02 4.97 0.08 2.04 0.11 -0.45 -1.02 120.40 126.11 3huy s VAL 21 Ca 0.01 1.22 -0.01 0.00 -2.93 0.00 0.00 61.98 60.26 3huy s VAL 21 Cb -0.01 -3.97 0.01 0.00 -1.53 0.00 0.00 36.38 30.87 3huy s VAL 21 CO -0.00 0.03 0.13 1.07 -3.33 0.00 0.00 175.10 173.00 3huy n THR 22 N 5.07 0.00 -2.78 5.04 5.66 -1.23 -1.50 114.28 124.55 3huy n THR 22 Ca 0.00 -0.35 -0.41 0.00 -3.05 0.00 0.00 64.05 60.24 3huy n THR 22 Cb 0.49 0.24 -0.04 0.00 -1.55 0.00 0.00 70.33 69.47 3huy n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3huy s ASP 23 N -1.49 7.38 0.52 1.09 -1.08 -1.26 0.22 116.67 122.05 3huy s ASP 23 Ca 0.06 1.66 0.25 0.00 -0.52 0.00 0.00 52.55 54.00 3huy s ASP 23 Cb -0.00 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.28 3huy s ASP 23 CO 0.04 -0.12 1.75 0.00 0.52 0.00 0.00 175.17 177.36 3huy h ALA 24 N 6.06 1.21 0.14 3.66 0.00 0.50 -2.43 119.26 128.40 3huy h ALA 24 Ca -0.42 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.16 3huy h ALA 24 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3huy h ALA 24 CO 0.73 -0.21 -1.72 0.00 0.00 0.00 0.00 179.25 178.05 3huy h ARG 25 N 0.00 0.29 -5.72 0.00 3.08 -1.92 -3.47 114.38 106.64 3huy h ARG 25 Ca 0.00 -0.49 -0.18 0.00 0.07 0.00 0.00 59.98 59.38 3huy h ARG 25 Cb 0.49 0.18 0.10 0.00 0.08 0.00 0.00 29.97 30.82 3huy h ARG 25 CO 0.00 1.24 -0.42 0.54 -1.07 0.00 0.00 179.97 180.25 3huy n ARG 26 N -3.69 -1.34 -3.49 0.04 1.74 -0.92 -4.92 116.66 104.08 3huy n ARG 26 Ca -0.28 -0.40 -0.38 0.00 -0.77 0.00 0.00 57.85 56.03 3huy n ARG 26 Cb 1.00 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 31.09 3huy n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3huy s LYS 27 N -2.88 4.00 0.06 5.56 0.00 -1.26 -4.95 119.74 120.26 3huy s LYS 27 Ca 0.25 0.36 -0.02 0.00 0.00 0.00 0.00 55.97 56.56 3huy s LYS 27 Cb -0.03 -3.27 0.09 0.00 0.00 0.00 0.00 37.83 34.62 3huy s LYS 27 CO 0.26 0.56 0.31 -2.13 0.00 0.00 0.00 175.35 174.36 3huy n ARG 28 N 2.30 -0.02 -0.47 1.78 0.63 -1.26 0.27 116.66 119.89 3huy n ARG 28 Ca -0.13 0.31 0.09 0.00 -0.92 0.00 0.00 57.85 57.20 3huy n ARG 28 Cb 0.52 -0.46 0.29 0.00 0.45 0.00 0.00 32.46 33.27 3huy n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3huy n ASP 29 N -4.32 4.16 0.00 6.15 10.43 -1.26 -4.54 116.55 127.17 3huy n ASP 29 Ca 0.03 -2.41 0.00 0.00 2.57 0.00 0.00 54.79 54.99 3huy n ASP 29 Cb 0.10 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.57 3huy n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3huy n GLY 30 N 0.77 -2.25 3.52 0.44 0.00 0.78 -4.97 105.19 103.48 3huy n GLY 30 Ca 0.22 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3huy n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huy s LYS 31 N 0.00 3.79 0.30 1.61 2.20 -1.26 -5.02 119.74 121.36 3huy s LYS 31 Ca 0.00 -0.42 0.07 0.00 -0.36 0.00 0.00 55.97 55.26 3huy s LYS 31 Cb 0.00 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3huy s LYS 31 CO 0.00 -0.03 0.26 1.52 -0.36 0.00 0.00 175.35 176.74 3huy s TYR 32 N 1.22 2.99 0.02 4.03 -0.00 -1.26 -4.76 117.35 119.58 3huy s TYR 32 Ca 0.05 -0.22 -0.06 0.00 -0.00 0.00 0.00 57.07 56.84 3huy s TYR 32 Cb -0.14 -1.65 -0.29 0.00 -0.00 0.00 0.00 41.96 39.88 3huy s TYR 32 CO 0.04 0.31 0.93 0.82 -0.00 0.00 0.00 175.55 177.65 3huy h ILE 33 N 1.33 1.24 -1.88 -3.49 1.08 -1.64 -3.48 117.51 110.67 3huy h ILE 33 Ca -0.46 -2.82 0.01 0.00 -0.39 0.00 0.00 64.86 61.20 3huy h ILE 33 Cb 1.25 2.85 -0.23 0.00 -3.07 0.00 0.00 36.82 37.62 3huy h ILE 33 CO 0.59 0.84 0.18 -0.70 -0.69 0.00 0.00 178.15 178.37 3huy s GLU 34 N -2.62 0.70 -0.31 2.37 2.12 -0.91 -5.04 118.70 115.01 3huy s GLU 34 Ca -0.08 0.96 -0.22 0.00 0.36 0.00 0.00 54.97 55.99 3huy s GLU 34 Cb 0.06 0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.72 3huy s GLU 34 CO 0.87 -0.11 0.71 0.21 -0.54 0.00 0.00 175.26 176.40 3huy s LYS 35 N 0.82 3.91 -0.39 4.30 2.20 -1.26 -1.34 119.74 127.98 3huy s LYS 35 Ca -0.03 0.41 0.10 0.00 -0.36 0.00 0.00 55.97 56.09 3huy s LYS 35 Cb -0.05 -3.74 0.44 0.00 -1.51 0.00 0.00 37.83 32.97 3huy s LYS 35 CO -0.08 -0.64 1.06 0.44 -0.36 0.00 0.00 175.35 175.77 3huy n ILE 36 N 5.48 1.87 0.00 5.43 -5.35 0.01 -5.00 119.36 121.80 3huy n ILE 36 Ca 0.01 -4.19 0.00 0.00 -0.27 0.00 0.00 62.75 58.30 3huy n ILE 36 Cb 0.48 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 3huy n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3huy n GLY 37 N -0.35 3.67 3.13 3.28 0.00 -1.10 -3.35 105.19 110.47 3huy n GLY 37 Ca 0.28 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 3huy n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3huy s TYR 38 N -2.37 0.05 -0.12 1.61 -0.85 -0.55 -0.26 117.35 114.86 3huy s TYR 38 Ca 0.00 -0.19 -0.04 0.00 -0.52 0.00 0.00 57.07 56.33 3huy s TYR 38 Cb 0.00 -0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.35 3huy s TYR 38 CO 0.00 -0.33 0.17 -0.47 -1.52 0.00 0.00 175.55 173.40 3huy s TYR 39 N -1.75 -0.17 -0.66 -3.49 5.04 -1.21 -2.76 117.35 112.35 3huy s TYR 39 Ca -0.12 0.45 -0.16 0.00 -2.44 0.00 0.00 57.07 54.80 3huy s TYR 39 Cb -0.06 -0.32 0.15 0.00 0.35 0.00 0.00 41.96 42.09 3huy s TYR 39 CO 0.00 -0.37 0.66 0.34 -1.34 0.00 0.00 175.55 174.85 3huy s ASP 40 N 2.29 6.38 0.00 4.32 3.68 -0.62 -2.33 116.67 130.39 3huy s ASP 40 Ca 0.04 -1.98 0.00 0.00 2.13 0.00 0.00 52.55 52.73 3huy s ASP 40 Cb -0.13 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 3huy s ASP 40 CO -0.07 -0.85 0.55 -0.81 0.13 0.00 0.00 175.17 174.11 3huy n PRO 41 N 5.22 0.00 0.00 4.34 -0.04 -1.26 -1.09 135.00 142.17 3huy n PRO 41 Ca -0.03 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 3huy n PRO 41 Cb 0.43 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3huy n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huy n ARG 42 N -1.05 1.30 -4.17 0.54 1.74 -1.26 -5.00 116.66 108.76 3huy n ARG 42 Ca 0.00 -1.13 -0.36 0.00 -0.77 0.00 0.00 57.85 55.60 3huy n ARG 42 Cb 0.09 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3huy n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3huy n LYS 43 N 0.45 -2.22 0.00 5.56 4.01 -0.25 -4.77 118.16 120.95 3huy n LYS 43 Ca 0.07 0.27 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 3huy n LYS 43 Cb 0.33 -4.93 0.00 0.00 -0.51 0.00 0.00 35.03 29.92 3huy n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3huy n THR 44 N -4.10 0.01 -3.67 -0.18 -2.24 -1.26 -4.66 114.28 98.18 3huy n THR 44 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 3huy n THR 44 Cb 0.48 -0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.19 3huy n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3huy s THR 45 N -0.99 -0.01 -1.31 4.28 -1.32 -1.26 -5.01 115.64 110.02 3huy s THR 45 Ca 0.00 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 3huy s THR 45 Cb 0.00 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 3huy s THR 45 CO 0.00 0.01 0.66 -0.81 -2.21 0.00 0.00 174.62 172.27 3huy n PRO 46 N 3.54 0.00 -2.97 7.08 -0.04 -1.26 -2.32 135.00 139.03 3huy n PRO 46 Ca -0.18 0.20 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 3huy n PRO 46 Cb 0.57 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 3huy n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3huy n ASP 47 N -1.16 3.69 -1.67 3.54 8.00 -1.26 -4.89 116.55 122.80 3huy n ASP 47 Ca 0.00 -3.53 0.07 0.00 0.71 0.00 0.00 54.79 52.04 3huy n ASP 47 Cb 0.03 -0.57 0.35 0.00 -0.02 0.00 0.00 41.12 40.92 3huy n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3huy n TRP 48 N -0.15 1.71 -2.68 1.24 4.27 -0.98 -4.45 117.44 116.40 3huy n TRP 48 Ca 0.30 -0.61 -0.03 0.00 -3.89 0.00 0.00 57.50 53.27 3huy n TRP 48 Cb 0.47 -0.40 0.12 0.00 -1.36 0.00 0.00 31.31 30.14 3huy n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3huy n LEU 49 N 0.70 -1.40 -4.77 5.67 7.94 -1.25 -1.59 117.00 122.29 3huy n LEU 49 Ca 0.24 -3.26 -0.41 0.00 -1.11 0.00 0.00 56.01 51.48 3huy n LEU 49 Cb 1.01 0.10 -0.01 0.00 0.53 0.00 0.00 43.42 45.05 3huy n LEU 49 CO 0.27 1.72 1.11 -0.75 -1.11 0.00 0.00 177.39 178.64 3huy s LYS 50 N -0.03 4.20 -0.04 1.96 2.36 -1.11 -4.88 119.74 122.19 3huy s LYS 50 Ca 0.12 2.44 -0.09 0.00 -2.55 0.00 0.00 55.97 55.89 3huy s LYS 50 Cb 0.44 -3.03 0.02 0.00 -1.05 0.00 0.00 37.83 34.20 3huy s LYS 50 CO -0.12 -0.45 0.21 0.08 1.55 0.00 0.00 175.35 176.62 3huy s VAL 51 N -0.72 0.04 -1.06 4.02 1.01 -1.26 -1.49 120.40 120.94 3huy s VAL 51 Ca 0.55 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3huy s VAL 51 Cb -0.44 -0.41 0.31 0.00 0.00 0.00 0.00 36.38 35.84 3huy s VAL 51 CO 0.54 -0.17 1.68 -0.67 0.00 0.00 0.00 175.10 176.49 3huy n ASP 52 N 2.19 6.95 -0.25 3.32 4.64 -1.21 -4.86 116.55 127.33 3huy n ASP 52 Ca -0.17 -3.56 0.22 0.00 -1.38 0.00 0.00 54.79 49.90 3huy n ASP 52 Cb 0.57 -1.22 0.34 0.00 -1.04 0.00 0.00 41.12 39.78 3huy n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3huy n VAL 53 N 0.58 0.00 0.00 5.18 0.24 -1.26 -1.54 118.33 121.53 3huy n VAL 53 Ca 0.38 0.78 0.00 0.00 -2.04 0.00 0.00 64.34 63.46 3huy n VAL 53 Cb 0.29 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 3huy n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3huy n GLU 54 N -2.70 0.00 -0.07 7.34 -0.58 -1.26 -2.73 120.64 120.64 3huy n GLU 54 Ca 0.19 0.45 -0.07 0.00 -0.42 0.00 0.00 57.16 57.31 3huy n GLU 54 Cb 1.00 -1.38 -0.01 0.00 -0.57 0.00 0.00 31.44 30.48 3huy n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huy h ARG 55 N 0.00 -0.05 -0.86 3.49 2.47 -1.70 -2.83 114.38 114.90 3huy h ARG 55 Ca 0.00 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 3huy h ARG 55 Cb 0.00 0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 28.22 3huy h ARG 55 CO 0.00 -0.03 -0.50 0.00 0.56 0.00 0.00 179.97 180.00 3huy n ALA 56 N -2.59 -0.52 -0.11 0.04 0.00 -1.18 -0.35 120.51 115.80 3huy n ALA 56 Ca -0.00 0.74 -0.05 0.00 0.00 0.00 0.00 53.44 54.12 3huy n ALA 56 Cb 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 3huy n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huy h ARG 57 N 0.00 -0.09 -0.37 0.00 2.47 -1.30 0.12 114.38 115.21 3huy h ARG 57 Ca 0.15 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.91 3huy h ARG 57 Cb 0.36 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 3huy h ARG 57 CO -0.81 -0.06 -0.22 0.98 0.56 0.00 0.00 179.97 180.42 3huy n TYR 58 N -3.84 -0.16 -0.33 3.04 4.19 0.52 0.51 117.16 121.08 3huy n TYR 58 Ca -0.00 0.47 0.18 0.00 3.31 0.00 0.00 57.90 61.85 3huy n TYR 58 Cb 0.12 -0.50 0.42 0.00 0.49 0.00 0.00 39.34 39.87 3huy n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 3huy h TRP 59 N 0.00 0.89 0.00 2.98 -0.00 -0.57 0.48 115.95 119.73 3huy h TRP 59 Ca 0.06 0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.89 3huy h TRP 59 Cb 0.15 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 3huy h TRP 59 CO -0.86 0.11 -0.44 -0.07 -0.00 0.00 0.00 178.44 177.18 3huy h LEU 60 N 0.56 0.00 0.00 -4.49 3.38 0.27 -2.98 115.31 112.05 3huy h LEU 60 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3huy h LEU 60 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3huy h LEU 60 CO -0.38 0.44 0.00 -1.54 0.09 0.00 0.00 178.44 177.06 3huy n SER 61 N -3.53 0.00 -2.50 -0.43 3.41 0.17 -3.26 113.62 107.47 3huy n SER 61 Ca -0.00 -0.88 -0.03 0.00 -0.26 0.00 0.00 58.87 57.70 3huy n SER 61 Cb 0.56 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.56 3huy n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3huy n VAL 62 N -1.00 1.30 -0.04 -3.33 0.24 -1.05 -5.05 118.33 109.39 3huy n VAL 62 Ca 0.21 -2.86 0.00 0.00 -2.04 0.00 0.00 64.34 59.66 3huy n VAL 62 Cb 0.10 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3huy n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3huy n GLY 63 N -0.49 -3.09 0.00 7.63 0.00 -1.20 -5.03 105.19 103.01 3huy n GLY 63 Ca 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3huy n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy n ALA 64 N -0.89 0.00 0.00 4.61 0.00 -1.26 -4.45 120.51 118.52 3huy n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huy n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huy n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3huy n GLN 65 N 0.00 0.00 -3.41 0.00 1.13 -1.25 -3.85 117.38 110.00 3huy n GLN 65 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 3huy n GLN 65 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 3huy n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3huy s PRO 66 N 0.00 3.87 0.99 -1.09 0.04 -1.26 -3.83 135.00 133.72 3huy s PRO 66 Ca 0.00 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 3huy s PRO 66 Cb 0.00 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3huy s PRO 66 CO 0.00 0.42 -0.16 2.41 0.04 0.00 0.00 177.00 179.71 3huy n THR 67 N 0.42 0.00 0.41 1.26 -1.04 -1.08 -4.65 114.28 109.59 3huy n THR 67 Ca -0.03 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.05 61.53 3huy n THR 67 Cb 0.52 -0.38 -0.08 0.00 -1.82 0.00 0.00 70.33 68.57 3huy n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3huy h ASP 68 N -1.42 -0.88 0.00 8.00 3.32 -1.96 -2.17 116.42 121.32 3huy h ASP 68 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3huy h ASP 68 Cb 1.31 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.08 3huy h ASP 68 CO 0.30 -0.60 0.00 1.07 -1.72 0.00 0.00 179.24 178.29 3huy n THR 69 N -4.92 0.48 0.00 0.35 5.66 -1.26 -2.24 114.28 112.35 3huy n THR 69 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3huy n THR 69 Cb 0.41 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 3huy n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3huy n ALA 70 N 0.64 2.16 0.20 1.79 0.00 -0.85 -4.53 120.51 119.93 3huy n ALA 70 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3huy n ALA 70 Cb 0.26 0.49 0.42 0.00 0.00 0.00 0.00 19.45 20.61 3huy n ALA 70 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3huy h ARG 71 N 0.00 0.00 -0.39 0.00 0.11 -1.03 -1.37 114.38 111.70 3huy h ARG 71 Ca 0.00 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.14 3huy h ARG 71 Cb 0.97 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.97 3huy h ARG 71 CO 0.00 0.31 -0.52 -0.09 0.10 0.00 0.00 179.97 179.78 3huy h ARG 72 N 0.00 -0.37 0.77 0.08 2.43 -1.74 0.46 114.38 116.00 3huy h ARG 72 Ca -0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3huy h ARG 72 Cb 0.76 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3huy h ARG 72 CO 0.04 -0.25 -0.37 -0.07 -1.51 0.00 0.00 179.97 177.81 3huy h LEU 73 N -0.39 -0.87 -1.39 3.80 3.38 -1.63 -1.75 115.31 116.46 3huy h LEU 73 Ca 0.09 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.23 3huy h LEU 73 Cb 0.60 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3huy h LEU 73 CO -0.58 -0.53 0.78 -0.07 0.09 0.00 0.00 178.44 178.13 3huy h LEU 74 N -1.21 0.00 0.24 1.67 4.07 -0.88 0.80 115.31 120.01 3huy h LEU 74 Ca -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3huy h LEU 74 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 3huy h LEU 74 CO 0.17 0.00 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.33 3huy h ARG 75 N 0.00 -0.31 0.00 1.13 2.43 0.48 0.31 114.38 118.42 3huy h ARG 75 Ca 0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3huy h ARG 75 Cb 1.82 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 3huy h ARG 75 CO -0.00 -0.21 0.00 0.94 -1.51 0.00 0.00 179.97 179.19 3huy n GLN 76 N -4.95 0.17 0.00 0.20 7.27 0.16 0.86 117.38 121.08 3huy n GLN 76 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3huy n GLN 76 Cb 0.13 -1.12 0.00 0.00 2.41 0.00 0.00 30.24 31.66 3huy n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3huy n ALA 77 N -0.62 1.24 -2.19 1.69 0.00 -0.50 -5.05 120.51 115.09 3huy n ALA 77 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 53.44 53.22 3huy n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huy n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huy n GLY 78 N 0.06 -0.74 0.16 0.00 0.00 0.25 -4.89 105.19 100.03 3huy n GLY 78 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3huy n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huy n VAL 79 N -1.26 1.53 0.08 1.61 0.31 0.10 -4.73 118.33 115.97 3huy n VAL 79 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 64.34 62.49 3huy n VAL 79 Cb 0.47 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 3huy n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3huy n PHE 80 N -1.16 -1.10 -0.86 3.52 3.01 -1.26 -4.85 117.46 114.76 3huy n PHE 80 Ca 0.13 0.19 -0.33 0.00 1.01 0.00 0.00 57.45 58.45 3huy n PHE 80 Cb 0.65 0.32 -0.04 0.00 -0.01 0.00 0.00 39.48 40.40 3huy n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3huy n ARG 81 N -3.30 0.00 0.00 -1.08 0.63 -1.26 -4.87 116.66 106.77 3huy n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3huy n ARG 81 Cb 0.06 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.14 3huy n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huy n GLN 82 N 0.83 0.18 0.00 -0.14 0.00 -1.26 -5.01 117.38 111.97 3huy n GLN 82 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 57.00 56.79 3huy n GLN 82 Cb 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 30.24 29.49 3huy n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3huy n GLU 83 N -0.12 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 116.00 3huy n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3huy n GLU 83 Cb 0.05 -3.76 0.00 0.00 -0.57 0.00 0.00 31.44 27.16 3huy n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65