#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy s ARG 2 N 0.00 0.73 -0.20 0.03 0.52 -0.41 -4.81 118.95 114.80 3huy s ARG 2 Ca 0.00 -1.01 -0.16 0.00 -0.52 0.00 0.00 55.73 54.04 3huy s ARG 2 Cb 0.00 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 3huy s ARG 2 CO 0.00 -0.20 0.43 0.50 0.02 0.00 0.00 175.30 176.05 3huy s ARG 3 N -3.68 4.17 0.14 3.54 3.52 -1.26 -1.10 118.95 124.28 3huy s ARG 3 Ca 0.04 0.25 0.09 0.00 -0.13 0.00 0.00 55.73 55.98 3huy s ARG 3 Cb 0.05 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 3huy s ARG 3 CO -0.10 -0.07 -0.21 0.71 -0.81 0.00 0.00 175.30 174.82 3huy s TYR 4 N 1.39 1.93 -0.80 5.12 2.02 -1.17 -0.41 117.35 125.44 3huy s TYR 4 Ca 0.20 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 3huy s TYR 4 Cb -0.15 -1.01 0.34 0.00 -0.40 0.00 0.00 41.96 40.74 3huy s TYR 4 CO 0.08 0.31 1.46 0.39 -1.57 0.00 0.00 175.55 176.22 3huy n GLU 5 N 0.66 4.26 -1.32 -0.62 1.02 0.37 -0.29 120.64 124.72 3huy n GLU 5 Ca -0.16 -4.65 -0.57 0.00 -0.02 0.00 0.00 57.16 51.76 3huy n GLU 5 Cb 0.55 -2.35 -0.10 0.00 -0.02 0.00 0.00 31.44 29.52 3huy n GLU 5 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3huy n VAL 6 N -0.20 0.07 -3.85 2.62 0.31 -1.24 -3.97 118.33 112.07 3huy n VAL 6 Ca 0.41 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 64.35 3huy n VAL 6 Cb 0.33 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.31 3huy n VAL 6 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3huy s ASN 7 N 6.47 6.38 0.02 4.52 0.02 -1.13 -2.16 114.94 129.06 3huy s ASN 7 Ca 1.16 0.32 -0.15 0.00 -1.02 0.00 0.00 52.86 53.18 3huy s ASN 7 Cb -1.27 -1.98 0.02 0.00 0.02 0.00 0.00 41.25 38.05 3huy s ASN 7 CO 0.60 0.10 0.32 -0.63 0.02 0.00 0.00 177.10 177.50 3huy s ILE 8 N -1.63 0.07 -0.06 0.60 1.01 -1.26 -0.38 121.20 119.55 3huy s ILE 8 Ca 0.36 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 3huy s ILE 8 Cb -0.12 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.55 3huy s ILE 8 CO 0.28 -0.32 0.11 -0.69 0.00 0.00 0.00 174.94 174.32 3huy s VAL 9 N -2.13 -0.13 0.27 2.92 1.01 -0.95 -2.45 120.40 118.94 3huy s VAL 9 Ca -0.08 0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.30 3huy s VAL 9 Cb -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 3huy s VAL 9 CO -0.01 0.12 -0.09 -0.76 0.00 0.00 0.00 175.10 174.37 3huy s LEU 10 N 1.73 2.94 -0.29 3.92 1.02 -0.58 0.28 118.68 127.70 3huy s LEU 10 Ca -0.02 -0.81 -0.34 0.00 0.02 0.00 0.00 54.13 52.97 3huy s LEU 10 Cb -0.12 -1.45 -0.10 0.00 0.02 0.00 0.00 46.19 44.53 3huy s LEU 10 CO -0.05 0.01 2.14 -3.20 0.02 0.00 0.00 176.35 175.27 3huy n ASN 11 N -0.78 2.51 0.07 2.29 2.85 -0.24 -2.35 115.26 119.61 3huy n ASN 11 Ca -0.06 0.47 -0.13 0.00 -0.11 0.00 0.00 54.58 54.76 3huy n ASN 11 Cb 0.59 -1.32 -0.07 0.00 1.24 0.00 0.00 39.78 40.22 3huy n ASN 11 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3huy h PRO 12 N 12.24 -0.09 -2.70 1.20 0.13 -1.92 -3.26 132.00 137.60 3huy h PRO 12 Ca -0.33 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3huy h PRO 12 Cb 1.30 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3huy h PRO 12 CO 1.00 -0.06 0.34 0.09 -0.23 0.00 0.00 178.00 179.14 3huy n ASN 13 N -5.13 0.16 -3.50 1.44 3.02 -1.26 -4.67 115.26 105.32 3huy n ASN 13 Ca -0.08 -1.39 -0.16 0.00 -0.03 0.00 0.00 54.58 52.92 3huy n ASN 13 Cb 0.07 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3huy n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3huy n LEU 14 N 2.70 0.00 -4.38 3.41 4.77 -1.23 -5.15 117.00 117.12 3huy n LEU 14 Ca 0.01 -1.66 -0.25 0.00 -0.03 0.00 0.00 56.01 54.08 3huy n LEU 14 Cb 0.02 0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3huy n LEU 14 CO 0.18 -0.33 -0.51 1.51 -1.33 0.00 0.00 177.39 176.91 3huy s ASP 15 N -2.63 3.10 0.55 -1.43 1.47 -1.26 -4.89 116.67 111.58 3huy s ASP 15 Ca 0.07 -0.86 0.44 0.00 1.18 0.00 0.00 52.55 53.38 3huy s ASP 15 Cb -0.01 -0.21 1.65 0.00 -0.34 0.00 0.00 42.92 44.01 3huy s ASP 15 CO 0.05 0.05 1.69 0.06 0.68 0.00 0.00 175.17 177.70 3huy h GLN 16 N 3.24 0.00 0.50 2.11 -0.00 -1.97 1.89 115.11 120.87 3huy h GLN 16 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.18 3huy h GLN 16 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 3huy h GLN 16 CO 0.49 0.00 -0.24 0.77 -0.00 0.00 0.00 178.83 179.85 3huy h SER 17 N 0.00 -0.56 0.75 0.06 0.02 -1.98 -2.08 113.55 109.75 3huy h SER 17 Ca 0.75 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.60 3huy h SER 17 Cb 3.03 0.15 0.01 0.00 0.14 0.00 0.00 62.40 65.73 3huy h SER 17 CO -0.01 -0.18 -0.36 1.56 -1.14 0.00 0.00 176.83 176.70 3huy h GLN 18 N -1.03 -0.97 -1.62 3.45 4.20 0.02 -1.05 115.11 118.12 3huy h GLN 18 Ca -0.07 0.07 0.47 0.00 0.06 0.00 0.00 58.65 59.18 3huy h GLN 18 Cb 0.60 0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 3huy h GLN 18 CO 0.11 -0.64 1.34 1.25 -0.67 0.00 0.00 178.83 180.22 3huy h LEU 19 N -1.01 0.00 0.07 1.46 6.46 0.24 2.56 115.31 125.10 3huy h LEU 19 Ca -0.10 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.36 3huy h LEU 19 Cb 0.77 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 3huy h LEU 19 CO 0.17 0.00 -1.61 0.00 -0.62 0.00 0.00 178.44 176.38 3huy h ALA 20 N 0.85 0.45 -0.09 1.25 0.00 -0.85 -3.21 119.26 117.65 3huy h ALA 20 Ca 0.77 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3huy h ALA 20 Cb 3.44 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 21.59 3huy h ALA 20 CO -0.01 1.31 0.06 -0.07 0.00 0.00 0.00 179.25 180.54 3huy h LEU 21 N 0.04 0.10 -1.31 0.00 -0.00 0.57 -1.08 115.31 113.64 3huy h LEU 21 Ca -0.26 -0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.63 3huy h LEU 21 Cb 2.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 42.60 3huy h LEU 21 CO 0.12 0.07 0.47 -0.33 -0.00 0.00 0.00 178.44 178.78 3huy h GLU 22 N 0.12 0.92 -0.08 1.13 4.39 -1.50 -0.50 114.58 119.06 3huy h GLU 22 Ca 0.04 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3huy h GLU 22 Cb -0.01 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3huy h GLU 22 CO -0.01 0.61 -0.43 0.87 -1.16 0.00 0.00 179.01 178.89 3huy h LYS 23 N 0.95 0.17 0.00 2.33 1.57 -1.43 0.10 116.57 120.26 3huy h LYS 23 Ca 0.26 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 3huy h LYS 23 Cb -0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3huy h LYS 23 CO -0.06 0.57 -0.79 1.05 -0.57 0.00 0.00 179.45 179.65 3huy h GLU 24 N 0.14 0.00 0.68 3.15 4.11 -0.54 -2.80 114.58 119.32 3huy h GLU 24 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 3huy h GLU 24 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.07 3huy h GLU 24 CO 0.06 0.79 -0.33 0.82 0.07 0.00 0.00 179.01 180.42 3huy h ILE 25 N 0.00 0.00 -0.10 -1.06 1.08 -0.57 -2.99 117.51 113.87 3huy h ILE 25 Ca -0.01 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3huy h ILE 25 Cb 1.49 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 3huy h ILE 25 CO 0.10 0.00 -0.06 0.40 -0.69 0.00 0.00 178.15 177.90 3huy h ILE 26 N -1.00 0.00 -1.04 -0.67 2.04 -0.79 0.13 117.51 116.18 3huy h ILE 26 Ca -0.09 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.07 3huy h ILE 26 Cb 0.70 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3huy h ILE 26 CO 0.15 0.00 0.84 1.56 0.00 0.00 0.00 178.15 180.70 3huy h GLN 27 N -0.01 0.00 0.00 2.37 1.08 -1.60 2.72 115.11 119.67 3huy h GLN 27 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3huy h GLN 27 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3huy h GLN 27 CO -0.10 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.32 3huy n ARG 28 N -3.95 0.12 -0.00 1.46 1.74 0.43 -0.77 116.66 115.69 3huy n ARG 28 Ca 0.22 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.46 3huy n ARG 28 Cb 1.18 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 31.12 3huy n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3huy h ALA 29 N 2.72 0.00 -0.16 7.54 0.00 0.50 -1.96 119.26 127.89 3huy h ALA 29 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3huy h ALA 29 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3huy h ALA 29 CO 0.00 0.00 0.48 -0.07 0.00 0.00 0.00 179.25 179.66 3huy h LEU 30 N -0.03 0.00 0.13 0.00 3.38 -1.51 0.68 115.31 117.96 3huy h LEU 30 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3huy h LEU 30 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3huy h LEU 30 CO 0.00 0.00 -0.06 -0.08 0.09 0.00 0.00 178.44 178.39 3huy h GLU 31 N 0.00 -0.17 0.00 1.13 4.57 -1.05 1.10 114.58 120.17 3huy h GLU 31 Ca 0.07 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3huy h GLU 31 Cb 1.03 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3huy h GLU 31 CO -0.00 -0.11 0.00 0.09 -1.18 0.00 0.00 179.01 177.81 3huy n ASN 32 N -3.03 0.00 -0.50 1.04 5.03 -0.06 -1.15 115.26 116.59 3huy n ASN 32 Ca -0.02 0.39 0.05 0.00 0.87 0.00 0.00 54.58 55.87 3huy n ASN 32 Cb 0.07 -0.43 0.10 0.00 -1.02 0.00 0.00 39.78 38.50 3huy n ASN 32 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3huy n TYR 33 N -1.43 0.24 -3.68 3.10 4.02 0.22 -5.01 117.16 114.63 3huy n TYR 33 Ca 0.03 -0.29 -0.25 0.00 -0.01 0.00 0.00 57.90 57.38 3huy n TYR 33 Cb 0.08 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.42 3huy n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3huy n GLY 34 N 0.47 -0.62 3.44 2.72 0.00 -0.30 -4.85 105.19 106.06 3huy n GLY 34 Ca 0.08 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 3huy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy s ALA 35 N -3.61 2.72 -0.11 4.61 0.00 0.37 -4.55 121.76 121.19 3huy s ALA 35 Ca 0.21 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3huy s ALA 35 Cb -0.06 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 3huy s ALA 35 CO 0.83 0.38 0.28 0.50 0.00 0.00 0.00 175.76 177.75 3huy s ARG 36 N -0.13 3.95 0.31 0.00 3.52 0.79 -4.56 118.95 122.82 3huy s ARG 36 Ca -0.00 0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.61 3huy s ARG 36 Cb -0.13 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 3huy s ARG 36 CO 0.03 0.51 0.65 0.08 -0.81 0.00 0.00 175.30 175.76 3huy s VAL 37 N -0.35 4.86 0.00 7.11 1.01 -1.26 -0.61 120.40 131.16 3huy s VAL 37 Ca 0.18 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.76 3huy s VAL 37 Cb -0.14 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.71 3huy s VAL 37 CO 0.06 -0.28 0.97 -0.62 0.00 0.00 0.00 175.10 175.23 3huy n GLU 38 N -0.69 0.00 0.00 2.72 1.02 0.45 -4.94 120.64 119.20 3huy n GLU 38 Ca 0.01 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 3huy n GLU 38 Cb 0.53 0.06 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3huy n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3huy n LYS 39 N 0.17 0.00 -2.71 3.49 4.81 -1.17 -4.83 118.16 117.92 3huy n LYS 39 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.31 3huy n LYS 39 Cb 0.82 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.85 3huy n LYS 39 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3huy n VAL 40 N -0.93 0.00 -0.78 3.15 3.14 -1.26 -3.27 118.33 118.37 3huy n VAL 40 Ca 0.00 -0.85 0.00 0.00 -2.96 0.00 0.00 64.34 60.53 3huy n VAL 40 Cb 0.00 0.48 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 3huy n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3huy n GLU 41 N -0.25 0.00 -0.11 1.45 -0.58 -1.12 -4.84 120.64 115.19 3huy n GLU 41 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3huy n GLU 41 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 3huy n GLU 41 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3huy n GLU 42 N 0.00 0.00 0.00 3.49 2.13 -1.26 -4.63 120.64 120.37 3huy n GLU 42 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3huy n GLU 42 Cb 0.14 -0.12 0.31 0.00 0.27 0.00 0.00 31.44 32.04 3huy n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3huy n LEU 43 N 0.40 0.00 0.00 4.31 4.32 -1.24 -4.94 117.00 119.85 3huy n LEU 43 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3huy n LEU 43 Cb 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3huy n LEU 43 CO 0.02 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 3huy n GLY 44 N -0.28 3.71 3.59 -0.72 0.00 -1.16 -4.67 105.19 105.65 3huy n GLY 44 Ca 0.08 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3huy n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huy s LEU 45 N 0.00 4.06 -0.04 0.99 2.96 -1.26 0.18 118.68 125.56 3huy s LEU 45 Ca 0.00 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3huy s LEU 45 Cb 0.00 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 3huy s LEU 45 CO 0.00 -0.09 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.66 3huy s ARG 46 N 1.81 1.59 0.66 1.98 0.52 -0.68 -4.96 118.95 119.87 3huy s ARG 46 Ca 0.08 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 54.60 3huy s ARG 46 Cb -0.16 -1.39 -0.00 0.00 0.52 0.00 0.00 34.95 33.92 3huy s ARG 46 CO 0.11 0.19 1.28 1.03 0.02 0.00 0.00 175.30 177.93 3huy s ARG 47 N 0.13 2.50 0.41 3.54 0.52 -1.26 -2.57 118.95 122.21 3huy s ARG 47 Ca -0.05 2.03 0.07 0.00 -0.52 0.00 0.00 55.73 57.26 3huy s ARG 47 Cb -0.11 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 3huy s ARG 47 CO 0.02 -1.63 0.18 -0.51 0.02 0.00 0.00 175.30 173.38 3huy s LEU 48 N -4.46 3.13 -0.59 2.53 1.43 0.28 -4.89 118.68 116.11 3huy s LEU 48 Ca 0.82 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3huy s LEU 48 Cb -0.36 -1.48 0.45 0.00 0.03 0.00 0.00 46.19 44.83 3huy s LEU 48 CO 0.40 -0.52 1.84 0.00 0.23 0.00 0.00 176.35 178.30 3huy n ALA 49 N -1.23 6.05 0.00 4.21 0.00 -1.26 -4.89 120.51 123.38 3huy n ALA 49 Ca -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3huy n ALA 49 Cb 0.64 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3huy n ALA 49 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3huy n TYR 50 N -0.85 0.00 -1.60 0.00 4.11 -1.26 -5.13 117.16 112.44 3huy n TYR 50 Ca 0.58 0.00 -0.45 0.00 -0.00 0.00 0.00 57.90 58.03 3huy n TYR 50 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 40.03 3huy n TYR 50 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 3huy n PRO 51 N -0.83 1.39 -3.76 -3.48 -0.04 -1.26 -4.84 135.00 122.18 3huy n PRO 51 Ca 0.00 0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 63.65 3huy n PRO 51 Cb 0.00 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.43 3huy n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3huy s ILE 52 N -0.90 1.65 -0.05 0.52 -1.09 -0.25 -4.70 121.20 116.38 3huy s ILE 52 Ca 0.61 -2.75 -0.00 0.00 -2.23 0.00 0.00 60.65 56.28 3huy s ILE 52 Cb -0.71 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 3huy s ILE 52 CO 0.59 -0.88 0.04 0.00 -1.23 0.00 0.00 174.94 173.45 3huy n ALA 53 N 3.41 -0.08 0.00 9.38 0.00 -1.26 -3.39 120.51 128.56 3huy n ALA 53 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3huy n ALA 53 Cb 0.34 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3huy n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3huy n LYS 54 N -1.05 0.00 -3.02 0.00 4.76 -1.26 -4.91 118.16 112.67 3huy n LYS 54 Ca -0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 3huy n LYS 54 Cb 0.51 -2.75 -0.05 0.00 -1.84 0.00 0.00 35.03 30.90 3huy n LYS 54 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3huy s ASP 55 N -1.46 6.70 0.00 4.39 -1.08 -1.22 -4.93 116.67 119.07 3huy s ASP 55 Ca 0.00 0.86 0.28 0.00 -0.52 0.00 0.00 52.55 53.17 3huy s ASP 55 Cb 0.00 -2.38 1.27 0.00 -1.46 0.00 0.00 42.92 40.35 3huy s ASP 55 CO 0.00 -0.41 1.92 -0.81 0.52 0.00 0.00 175.17 176.39 3huy n PRO 56 N 5.73 0.12 -4.42 4.34 -0.04 -1.26 -1.09 135.00 138.38 3huy n PRO 56 Ca 0.02 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.25 3huy n PRO 56 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 3huy n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3huy s GLN 57 N -2.88 1.94 -0.13 0.54 -0.21 -1.26 0.10 119.66 117.76 3huy s GLN 57 Ca 0.17 -1.78 -0.29 0.00 0.02 0.00 0.00 55.36 53.49 3huy s GLN 57 Cb 0.19 -1.85 0.07 0.00 1.00 0.00 0.00 33.01 32.42 3huy s GLN 57 CO 0.49 0.20 0.72 0.20 -2.12 0.00 0.00 175.29 174.78 3huy s GLY 58 N -3.64 -0.54 -0.58 3.09 0.00 -1.06 -4.65 107.32 99.95 3huy s GLY 58 Ca 0.33 1.63 -0.24 0.00 0.00 0.00 0.00 44.72 46.44 3huy s GLY 58 CO 0.18 1.25 0.98 -0.47 0.00 0.00 0.00 173.10 175.03 3huy s TYR 59 N -0.63 2.74 0.57 1.90 5.04 -0.99 -1.68 117.35 124.29 3huy s TYR 59 Ca -0.06 -0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.43 3huy s TYR 59 Cb -0.02 -4.16 -0.00 0.00 0.35 0.00 0.00 41.96 38.13 3huy s TYR 59 CO 0.06 -1.45 0.88 -0.06 -1.34 0.00 0.00 175.55 173.65 3huy s PHE 60 N 4.11 3.35 0.00 4.97 0.40 0.47 -1.53 117.98 129.75 3huy s PHE 60 Ca 0.30 0.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 3huy s PHE 60 Cb -0.13 -2.63 0.00 0.00 0.51 0.00 0.00 43.02 40.77 3huy s PHE 60 CO 0.18 -0.69 0.00 1.28 0.70 0.00 0.00 175.22 176.69 3huy n LEU 61 N -2.52 0.00 0.00 -0.37 4.32 -1.03 -2.98 117.00 114.42 3huy n LEU 61 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 3huy n LEU 61 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 3huy n LEU 61 CO 0.53 0.00 0.00 1.87 -1.22 0.00 0.00 177.39 178.57 3huy n TRP 62 N 0.00 0.00 -3.91 -1.77 -0.00 -1.26 -4.67 117.44 105.83 3huy n TRP 62 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.16 3huy n TRP 62 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.18 3huy n TRP 62 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3huy s TYR 63 N 0.00 3.58 -0.10 5.87 4.12 -0.92 -2.79 117.35 127.12 3huy s TYR 63 Ca 0.00 -2.55 -0.29 0.00 0.02 0.00 0.00 57.07 54.25 3huy s TYR 63 Cb 0.00 -2.86 -0.06 0.00 -1.52 0.00 0.00 41.96 37.52 3huy s TYR 63 CO 0.00 -0.93 1.86 -1.14 0.02 0.00 0.00 175.55 175.35 3huy s GLN 64 N 1.07 3.87 0.00 -0.62 0.74 -1.20 -3.64 119.66 119.87 3huy s GLN 64 Ca 0.06 2.16 0.00 0.00 0.05 0.00 0.00 55.36 57.63 3huy s GLN 64 Cb -0.21 -4.13 0.00 0.00 1.10 0.00 0.00 33.01 29.77 3huy s GLN 64 CO -0.05 -1.24 0.00 1.33 -0.55 0.00 0.00 175.29 174.78 3huy n VAL 65 N 6.18 0.00 -3.64 1.34 0.24 0.60 -0.42 118.33 122.63 3huy n VAL 65 Ca 0.21 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.47 3huy n VAL 65 Cb 0.43 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 3huy n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3huy s GLU 66 N 1.42 0.43 0.03 7.34 2.12 0.22 -3.02 118.70 127.25 3huy s GLU 66 Ca 0.00 0.71 -0.28 0.00 0.36 0.00 0.00 54.97 55.76 3huy s GLU 66 Cb 0.00 0.11 0.09 0.00 0.26 0.00 0.00 34.13 34.59 3huy s GLU 66 CO 0.00 -0.08 0.96 0.00 -0.54 0.00 0.00 175.26 175.59 3huy s MET 67 N 1.20 0.88 -0.05 4.30 0.23 -0.26 -0.15 119.30 125.45 3huy s MET 67 Ca -0.07 -0.40 -0.32 0.00 -1.03 0.00 0.00 55.69 53.87 3huy s MET 67 Cb -0.04 0.36 -0.10 0.00 -1.53 0.00 0.00 34.83 33.52 3huy s MET 67 CO -0.14 -0.39 1.97 -0.35 -2.03 0.00 0.00 175.02 174.07 3huy n PRO 68 N -0.32 2.44 0.00 3.16 -0.04 -1.26 -1.29 135.00 137.69 3huy n PRO 68 Ca -0.07 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3huy n PRO 68 Cb 0.61 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3huy n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3huy n GLU 69 N 7.31 0.00 0.00 0.54 0.00 -1.26 -2.72 120.64 124.50 3huy n GLU 69 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.66 3huy n GLU 69 Cb 0.36 -0.47 0.00 0.00 0.00 0.00 0.00 31.44 31.33 3huy n GLU 69 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3huy n ASP 70 N -1.26 0.00 -0.22 -1.84 5.75 -1.26 -1.50 116.55 116.21 3huy n ASP 70 Ca 0.00 0.43 0.18 0.00 -0.01 0.00 0.00 54.79 55.38 3huy n ASP 70 Cb 0.00 -0.08 0.28 0.00 -1.03 0.00 0.00 41.12 40.29 3huy n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3huy n ARG 71 N -1.27 -0.01 0.00 0.11 5.12 -1.10 -2.99 116.66 116.52 3huy n ARG 71 Ca 0.00 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 3huy n ARG 71 Cb 0.00 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 3huy n ARG 71 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3huy n VAL 72 N -3.02 0.00 -0.34 1.55 3.14 -0.56 -1.97 118.33 117.12 3huy n VAL 72 Ca 0.16 1.32 -0.11 0.00 -2.96 0.00 0.00 64.34 62.75 3huy n VAL 72 Cb 0.67 -1.79 -0.09 0.00 -1.06 0.00 0.00 33.84 31.58 3huy n VAL 72 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 3huy h ASN 73 N 0.00 -2.03 -0.94 6.55 2.35 -1.78 0.53 115.58 120.26 3huy h ASN 73 Ca 0.00 0.31 0.27 0.00 -0.55 0.00 0.00 56.30 56.33 3huy h ASN 73 Cb 0.00 0.89 -0.17 0.00 0.05 0.00 0.00 38.32 39.10 3huy h ASN 73 CO 0.00 -0.28 0.16 0.44 -1.65 0.00 0.00 177.43 176.10 3huy h ASP 74 N -0.10 -0.21 -0.06 5.81 3.32 -1.67 0.60 116.42 124.10 3huy h ASP 74 Ca 0.15 0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.46 3huy h ASP 74 Cb 0.47 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3huy h ASP 74 CO -0.85 -0.29 -0.04 0.25 -1.72 0.00 0.00 179.24 176.59 3huy h LEU 75 N 0.08 -0.12 -0.58 1.55 6.46 0.68 0.66 115.31 124.04 3huy h LEU 75 Ca 0.60 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.46 3huy h LEU 75 Cb 1.28 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.22 3huy h LEU 75 CO -0.80 -0.05 0.27 0.00 -0.62 0.00 0.00 178.44 177.24 3huy h ALA 76 N 1.02 0.76 0.76 1.25 0.00 0.11 0.73 119.26 123.89 3huy h ALA 76 Ca 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3huy h ALA 76 Cb 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3huy h ALA 76 CO -0.09 -0.11 -0.36 -0.09 0.00 0.00 0.00 179.25 178.60 3huy h ARG 77 N 0.50 -0.98 -1.11 0.00 2.43 -0.55 -1.17 114.38 113.49 3huy h ARG 77 Ca 0.28 0.07 0.32 0.00 -0.81 0.00 0.00 59.98 59.83 3huy h ARG 77 Cb 0.26 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 3huy h ARG 77 CO -0.23 -0.65 0.79 1.49 -1.51 0.00 0.00 179.97 179.87 3huy h GLU 78 N -1.04 0.02 0.23 0.20 4.57 -0.49 -2.08 114.58 116.00 3huy h GLU 78 Ca -0.10 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3huy h GLU 78 Cb 0.79 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3huy h GLU 78 CO 0.17 0.01 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.83 3huy h LEU 79 N 0.02 -0.27 -0.26 1.64 3.38 -0.03 -3.32 115.31 116.48 3huy h LEU 79 Ca 0.53 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.61 3huy h LEU 79 Cb 2.09 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.87 3huy h LEU 79 CO -0.02 -0.02 0.15 0.54 0.09 0.00 0.00 178.44 179.18 3huy n ARG 80 N -3.81 -0.01 0.00 1.13 5.12 -0.52 -3.21 116.66 115.36 3huy n ARG 80 Ca -0.04 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 3huy n ARG 80 Cb 0.12 -0.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 3huy n ARG 80 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3huy n ILE 81 N -3.32 0.00 -0.44 0.55 5.41 -1.22 -4.48 119.36 115.87 3huy n ILE 81 Ca 0.09 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.87 3huy n ILE 81 Cb 0.31 -0.52 -0.04 0.00 -0.71 0.00 0.00 39.64 38.68 3huy n ILE 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3huy n ARG 82 N 0.00 0.00 0.10 0.38 5.12 -1.20 -4.59 116.66 116.47 3huy n ARG 82 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 3huy n ARG 82 Cb 0.00 -0.45 0.03 0.00 -1.16 0.00 0.00 32.46 30.88 3huy n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3huy n ASP 83 N 3.02 0.03 0.01 0.55 10.43 -1.26 0.91 116.55 130.23 3huy n ASP 83 Ca 0.19 0.18 -0.10 0.00 2.57 0.00 0.00 54.79 57.63 3huy n ASP 83 Cb 0.01 -0.06 -0.14 0.00 1.84 0.00 0.00 41.12 42.77 3huy n ASP 83 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3huy h ASN 84 N 0.00 0.09 -3.15 -2.24 2.35 -1.90 -3.43 115.58 107.30 3huy h ASN 84 Ca 0.00 -0.15 -0.57 0.00 -0.55 0.00 0.00 56.30 55.03 3huy h ASN 84 Cb 1.18 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.48 3huy h ASN 84 CO 0.00 1.13 1.07 -0.69 -1.65 0.00 0.00 177.43 177.29 3huy s VAL 85 N -2.62 3.91 -0.58 2.81 1.01 0.26 -1.08 120.40 124.11 3huy s VAL 85 Ca -0.05 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.94 3huy s VAL 85 Cb 0.08 -4.10 0.16 0.00 0.00 0.00 0.00 36.38 32.52 3huy s VAL 85 CO 0.82 -0.61 0.39 -0.13 0.00 0.00 0.00 175.10 175.58 3huy s ARG 86 N 4.76 1.90 0.00 2.72 0.52 0.14 -4.85 118.95 124.14 3huy s ARG 86 Ca 0.62 -2.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.04 3huy s ARG 86 Cb -0.16 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3huy s ARG 86 CO 0.30 -1.27 0.00 0.54 0.02 0.00 0.00 175.30 174.89 3huy n ARG 87 N 2.54 0.00 -3.81 3.54 5.12 -1.25 -4.58 116.66 118.20 3huy n ARG 87 Ca 0.18 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.74 3huy n ARG 87 Cb 0.37 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.57 3huy n ARG 87 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3huy s VAL 88 N 0.00 4.85 -0.50 1.55 1.01 -1.26 -2.24 120.40 123.80 3huy s VAL 88 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3huy s VAL 88 Cb 0.00 -3.24 0.25 0.00 0.00 0.00 0.00 36.38 33.39 3huy s VAL 88 CO 0.00 0.38 0.63 0.80 0.00 0.00 0.00 175.10 176.91 3huy n MET 89 N 4.27 1.55 -1.60 2.72 0.00 0.49 -4.97 117.12 119.58 3huy n MET 89 Ca -0.16 -3.88 -0.40 0.00 0.00 0.00 0.00 57.70 53.25 3huy n MET 89 Cb 0.52 -1.69 0.02 0.00 0.00 0.00 0.00 33.22 32.07 3huy n MET 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3huy n VAL 90 N 1.11 2.67 -3.74 1.12 0.31 -1.26 -2.84 118.33 115.70 3huy n VAL 90 Ca 0.25 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.96 3huy n VAL 90 Cb 0.48 -1.11 -0.12 0.00 -0.91 0.00 0.00 33.84 32.18 3huy n VAL 90 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3huy s VAL 91 N -1.36 -0.02 0.02 2.52 1.01 -1.25 -4.86 120.40 116.45 3huy s VAL 91 Ca 0.66 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 3huy s VAL 91 Cb -0.52 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 3huy s VAL 91 CO 0.55 0.03 1.52 -0.75 0.00 0.00 0.00 175.10 176.45 3huy s LYS 92 N 0.82 4.24 -0.01 2.72 2.20 -1.26 0.14 119.74 128.59 3huy s LYS 92 Ca -0.05 2.13 -0.30 0.00 -0.36 0.00 0.00 55.97 57.38 3huy s LYS 92 Cb -0.06 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 3huy s LYS 92 CO -0.06 -0.67 1.46 -1.12 -0.36 0.00 0.00 175.35 174.61 3huy s SER 93 N 2.22 6.80 -0.05 1.43 0.01 0.45 -4.83 113.70 119.74 3huy s SER 93 Ca 0.68 2.14 0.05 0.00 1.31 0.00 0.00 55.95 60.14 3huy s SER 93 Cb -0.35 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.32 3huy s SER 93 CO 0.29 -0.78 -0.20 -1.10 0.41 0.00 0.00 173.24 171.86 3huy s GLN 94 N 2.79 2.01 1.03 12.44 -0.21 -1.26 -4.88 119.66 131.58 3huy s GLN 94 Ca 0.66 -0.70 -0.19 0.00 0.02 0.00 0.00 55.36 55.15 3huy s GLN 94 Cb -0.32 -1.74 -0.02 0.00 1.00 0.00 0.00 33.01 31.93 3huy s GLN 94 CO 0.27 0.29 -0.38 0.39 -2.12 0.00 0.00 175.29 173.74 3huy n GLU 95 N 3.06 -0.67 -2.57 2.91 1.02 -1.26 -4.82 120.64 118.31 3huy n GLU 95 Ca -0.18 -0.18 -0.43 0.00 -0.02 0.00 0.00 57.16 56.35 3huy n GLU 95 Cb 0.53 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 3huy n GLU 95 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3huy s PRO 96 N -2.94 3.74 -0.28 3.49 0.02 -1.26 -4.98 135.00 132.79 3huy s PRO 96 Ca 0.49 0.67 -0.23 0.00 0.02 0.00 0.00 61.00 61.95 3huy s PRO 96 Cb -0.10 -3.90 -0.00 0.00 0.02 0.00 0.00 34.50 30.51 3huy s PRO 96 CO 0.69 -1.35 0.78 0.12 -0.33 0.00 0.00 177.00 176.91 3huy s PHE 97 N 4.49 3.24 -0.18 6.54 5.36 -1.26 -5.03 117.98 131.15 3huy s PHE 97 Ca 0.49 0.91 -0.04 0.00 -0.96 0.00 0.00 56.93 57.34 3huy s PHE 97 Cb -0.08 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.44 3huy s PHE 97 CO 0.30 -0.49 -0.03 -0.48 -1.46 0.00 0.00 175.22 173.07 3huy s LEU 98 N 2.88 3.20 0.20 6.12 0.05 -1.26 -5.10 118.68 124.77 3huy s LEU 98 Ca 0.32 -0.19 -0.15 0.00 0.05 0.00 0.00 54.13 54.17 3huy s LEU 98 Cb -0.15 -1.79 -0.08 0.00 -2.05 0.00 0.00 46.19 42.13 3huy s LEU 98 CO 0.10 0.11 0.62 0.00 -0.55 0.00 0.00 176.35 176.63 3huy s ALA 99 N 0.71 3.50 0.00 1.48 0.00 -1.26 -4.53 121.76 121.66 3huy s ALA 99 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3huy s ALA 99 Cb -0.14 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3huy s ALA 99 CO 0.02 0.41 0.00 0.09 0.00 0.00 0.00 175.76 176.29 3huy n ASN 100 N 0.52 -1.69 0.00 0.00 5.03 -1.26 -5.33 115.26 112.52 3huy n ASN 100 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 3huy n ASN 100 Cb 0.52 -0.85 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 3huy n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43