#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yd6 s ASN 2 N 0.00 2.84 0.21 6.12 2.20 -1.26 -4.86 114.94 120.19 1yd6 s ASN 2 Ca 0.00 0.99 -0.06 0.00 -0.94 0.00 0.00 52.86 52.85 1yd6 s ASN 2 Cb 0.00 -1.55 0.16 0.00 -2.00 0.00 0.00 41.25 37.86 1yd6 s ASN 2 CO 0.00 -2.97 1.64 -0.08 -2.94 0.00 0.00 177.10 172.75 1yd6 h GLU 3 N -1.79 0.89 -0.16 3.55 4.57 -1.99 -1.84 114.58 117.80 1yd6 h GLU 3 Ca -0.52 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.34 1yd6 h GLU 3 Cb 1.33 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1yd6 h GLU 3 CO 0.57 0.96 0.08 -0.09 -1.18 0.00 0.00 179.01 179.35 1yd6 h ARG 4 N 0.79 0.24 -0.95 1.92 2.43 -1.96 -0.97 114.38 115.88 1yd6 h ARG 4 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1yd6 h ARG 4 Cb 0.65 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1yd6 h ARG 4 CO 0.05 0.27 0.60 1.25 -1.51 0.00 0.00 179.97 180.62 1yd6 h LEU 5 N 0.14 1.12 -0.27 3.80 5.85 -1.80 -1.71 115.31 122.45 1yd6 h LEU 5 Ca 0.06 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1yd6 h LEU 5 Cb 0.11 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1yd6 h LEU 5 CO -0.01 0.84 0.14 0.11 -0.34 0.00 0.00 178.44 179.18 1yd6 h LYS 6 N 1.30 0.28 -0.47 1.25 1.57 -0.97 -0.71 116.57 118.82 1yd6 h LYS 6 Ca 0.34 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1yd6 h LYS 6 Cb -0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1yd6 h LYS 6 CO -0.07 0.18 0.18 0.93 -0.57 0.00 0.00 179.45 180.10 1yd6 h GLU 7 N 0.29 0.67 -0.19 3.15 5.08 -0.89 -2.22 114.58 120.47 1yd6 h GLU 7 Ca 0.11 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1yd6 h GLU 7 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1yd6 h GLU 7 CO -0.07 0.56 -0.51 0.87 -1.00 0.00 0.00 179.01 178.86 1yd6 h LYS 8 N 0.66 0.52 0.00 2.33 1.57 -0.84 -3.07 116.57 117.74 1yd6 h LYS 8 Ca 0.16 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1yd6 h LYS 8 Cb 0.15 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1yd6 h LYS 8 CO -0.01 0.91 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.36 1yd6 h LEU 9 N 0.41 0.00 -1.22 2.94 3.38 -0.65 -3.00 115.31 117.17 1yd6 h LEU 9 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1yd6 h LEU 9 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1yd6 h LEU 9 CO 0.09 0.34 -0.05 0.00 0.09 0.00 0.00 178.44 178.92 1yd6 h ALA 10 N 1.66 1.00 -0.01 1.53 0.00 -1.32 -3.19 119.26 118.94 1yd6 h ALA 10 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yd6 h ALA 10 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yd6 h ALA 10 CO 0.04 0.06 -0.56 0.28 0.00 0.00 0.00 179.25 179.08 1yd6 n VAL 11 N -3.15 0.00 -1.69 0.00 0.31 -1.13 -4.98 118.33 107.68 1yd6 n VAL 11 Ca 0.01 -0.17 -0.44 0.00 -0.01 0.00 0.00 64.34 63.73 1yd6 n VAL 11 Cb 0.36 1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 34.28 1yd6 n VAL 11 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1yd6 n LEU 12 N -0.51 3.38 -4.92 7.52 4.77 -1.21 -4.96 117.00 121.07 1yd6 n LEU 12 Ca 0.08 1.17 -0.27 0.00 -0.03 0.00 0.00 56.01 56.96 1yd6 n LEU 12 Cb 0.41 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.02 1yd6 n LEU 12 CO 0.31 -0.42 0.23 -2.16 -1.33 0.00 0.00 177.39 174.02 1yd6 s PRO 13 N -0.93 3.58 -1.33 3.23 0.04 -1.26 -4.68 135.00 133.64 1yd6 s PRO 13 Ca 0.63 -0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1yd6 s PRO 13 Cb -0.61 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1yd6 s PRO 13 CO 0.54 0.13 2.18 -1.91 0.04 0.00 0.00 177.00 177.98 1yd6 n GLU 14 N -1.37 2.61 -3.83 4.56 4.07 -1.26 -1.61 120.64 123.81 1yd6 n GLU 14 Ca -0.02 -2.45 -0.10 0.00 -0.06 0.00 0.00 57.16 54.52 1yd6 n GLU 14 Cb 0.55 -3.21 -0.08 0.00 -0.06 0.00 0.00 31.44 28.63 1yd6 n GLU 14 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1yd6 s GLN 15 N 3.52 0.76 0.72 5.31 -0.21 -1.26 -4.94 119.66 123.56 1yd6 s GLN 15 Ca 0.49 -0.70 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 1yd6 s GLN 15 Cb 0.14 0.32 0.02 0.00 1.00 0.00 0.00 33.01 34.49 1yd6 s GLN 15 CO -0.05 -0.23 1.07 -1.25 -2.12 0.00 0.00 175.29 172.70 1yd6 s PRO 16 N -2.93 2.77 0.00 2.91 0.04 -1.01 -0.30 135.00 136.47 1yd6 s PRO 16 Ca -0.02 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1yd6 s PRO 16 Cb 0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1yd6 s PRO 16 CO -0.06 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1yd6 n GLY 17 N -2.08 -0.51 3.34 0.56 0.00 -0.54 -0.90 105.19 105.07 1yd6 n GLY 17 Ca 0.07 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1yd6 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yd6 s TYR 19 N -2.47 1.39 -0.28 0.00 -0.85 -0.55 -0.82 117.35 113.78 1yd6 s TYR 19 Ca 0.19 -0.39 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1yd6 s TYR 19 Cb -0.04 -0.81 0.08 0.00 0.38 0.00 0.00 41.96 41.58 1yd6 s TYR 19 CO 0.07 0.07 0.03 -0.51 -1.52 0.00 0.00 175.55 173.69 1yd6 s LEU 20 N -1.41 2.78 0.14 -3.49 1.02 0.42 -2.06 118.68 116.07 1yd6 s LEU 20 Ca 0.02 -1.50 -0.23 0.00 0.02 0.00 0.00 54.13 52.45 1yd6 s LEU 20 Cb -0.09 -1.11 -0.08 0.00 0.02 0.00 0.00 46.19 44.94 1yd6 s LEU 20 CO 0.02 -0.33 0.70 -0.04 0.02 0.00 0.00 176.35 176.71 1yd6 s MET 21 N 1.41 4.40 0.06 1.70 -1.94 -0.16 -0.82 119.30 123.96 1yd6 s MET 21 Ca 0.03 0.98 0.04 0.00 -1.71 0.00 0.00 55.69 55.03 1yd6 s MET 21 Cb -0.18 -3.21 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 1yd6 s MET 21 CO -0.13 0.58 -0.12 0.15 -0.01 0.00 0.00 175.02 175.49 1yd6 s LYS 22 N -1.22 0.74 1.23 2.03 1.02 -0.10 -1.24 119.74 122.19 1yd6 s LYS 22 Ca 0.34 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 1yd6 s LYS 22 Cb -0.21 -0.66 0.27 0.00 -0.52 0.00 0.00 37.83 36.71 1yd6 s LYS 22 CO 0.23 0.14 0.60 -0.25 -0.92 0.00 0.00 175.35 175.15 1yd6 n ASP 23 N 1.30 -3.40 -0.09 2.83 8.00 -0.33 -2.29 116.55 122.58 1yd6 n ASP 23 Ca -0.21 -0.57 0.14 0.00 0.71 0.00 0.00 54.79 54.86 1yd6 n ASP 23 Cb 0.54 -0.91 0.78 0.00 -0.02 0.00 0.00 41.12 41.50 1yd6 n ASP 23 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1yd6 n LYS 24 N -3.76 1.12 -0.00 -1.24 2.85 -1.26 -3.05 118.16 112.82 1yd6 n LYS 24 Ca 0.09 -0.17 0.08 0.00 -1.05 0.00 0.00 58.31 57.25 1yd6 n LYS 24 Cb 0.48 -1.44 -0.10 0.00 -0.65 0.00 0.00 35.03 33.32 1yd6 n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1yd6 n HIS 25 N -0.74 0.00 -0.20 5.58 8.25 -1.26 -5.02 115.22 121.83 1yd6 n HIS 25 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1yd6 n HIS 25 Cb 0.14 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1yd6 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yd6 n GLY 26 N 1.41 0.78 3.76 -1.41 0.00 -1.17 -5.07 105.19 103.48 1yd6 n GLY 26 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1yd6 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yd6 s THR 27 N -2.16 4.53 -0.18 2.61 2.01 -1.26 -4.72 115.64 116.47 1yd6 s THR 27 Ca 0.00 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 1yd6 s THR 27 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1yd6 s THR 27 CO 0.00 0.43 1.49 -0.69 -0.69 0.00 0.00 174.62 175.16 1yd6 s VAL 28 N -0.54 3.89 -0.50 3.82 1.01 -1.26 -1.19 120.40 125.62 1yd6 s VAL 28 Ca 0.38 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.49 1yd6 s VAL 28 Cb -0.22 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1yd6 s VAL 28 CO 0.25 -0.23 0.43 2.30 0.00 0.00 0.00 175.10 177.85 1yd6 n ILE 29 N 5.91 0.00 -3.66 2.22 -5.35 -0.37 -4.53 119.36 113.57 1yd6 n ILE 29 Ca 0.17 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1yd6 n ILE 29 Cb 0.45 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.28 1yd6 n ILE 29 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1yd6 s TYR 30 N -1.80 -0.73 -0.11 4.28 5.04 -1.17 -1.14 117.35 121.71 1yd6 s TYR 30 Ca 0.04 1.70 0.02 0.00 -2.44 0.00 0.00 57.07 56.39 1yd6 s TYR 30 Cb 0.07 0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.67 1yd6 s TYR 30 CO 0.36 -0.36 -0.17 0.08 -1.34 0.00 0.00 175.55 174.12 1yd6 s VAL 31 N 0.61 2.68 0.27 3.14 1.01 -1.26 -0.99 120.40 125.87 1yd6 s VAL 31 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1yd6 s VAL 31 Cb -0.05 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1yd6 s VAL 31 CO -0.03 0.54 0.15 -0.83 0.00 0.00 0.00 175.10 174.92 1yd6 s GLY 32 N 0.29 1.85 0.19 4.51 0.00 -0.87 -4.93 107.32 108.35 1yd6 s GLY 32 Ca -0.13 -1.79 0.10 0.00 0.00 0.00 0.00 44.72 42.90 1yd6 s GLY 32 CO 0.07 -1.53 -0.21 -1.59 0.00 0.00 0.00 173.10 169.84 1yd6 s LYS 33 N -3.93 1.43 -0.07 2.90 0.00 -1.26 -1.48 119.74 117.33 1yd6 s LYS 33 Ca 0.37 -1.51 -0.07 0.00 0.00 0.00 0.00 55.97 54.76 1yd6 s LYS 33 Cb 0.06 -1.59 0.02 0.00 0.00 0.00 0.00 37.83 36.32 1yd6 s LYS 33 CO 0.16 0.33 0.20 0.00 0.00 0.00 0.00 175.35 176.03 1yd6 s ALA 34 N -2.00 -0.49 0.26 0.59 0.00 -0.30 -4.98 121.76 114.84 1yd6 s ALA 34 Ca 0.20 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1yd6 s ALA 34 Cb -0.06 -0.28 0.31 0.00 0.00 0.00 0.00 23.12 23.09 1yd6 s ALA 34 CO 0.09 -0.11 1.59 0.87 0.00 0.00 0.00 175.76 178.19 1yd6 h LYS 35 N 5.61 0.08 -3.74 0.00 1.57 -1.86 -1.43 116.57 116.79 1yd6 h LYS 35 Ca -0.26 -0.06 -0.57 0.00 -1.87 0.00 0.00 60.65 57.89 1yd6 h LYS 35 Cb 1.20 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 1yd6 h LYS 35 CO 0.38 0.68 -0.76 0.45 -0.57 0.00 0.00 179.45 179.63 1yd6 s SER 36 N -6.86 3.61 0.29 0.86 0.15 -1.25 -2.42 113.70 108.08 1yd6 s SER 36 Ca -0.02 -1.27 -0.02 0.00 0.70 0.00 0.00 55.95 55.34 1yd6 s SER 36 Cb 0.12 -0.85 0.42 0.00 -1.71 0.00 0.00 66.02 64.01 1yd6 s SER 36 CO 0.78 -0.34 1.92 -0.07 1.20 0.00 0.00 173.24 176.73 1yd6 h LEU 37 N 8.10 0.91 0.33 3.45 3.38 -0.72 -2.09 115.31 128.67 1yd6 h LEU 37 Ca -0.15 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1yd6 h LEU 37 Cb 1.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1yd6 h LEU 37 CO 0.41 0.72 -0.44 0.50 0.09 0.00 0.00 178.44 179.72 1yd6 h LYS 38 N 1.03 -0.78 -0.11 1.13 3.64 -1.55 -1.19 116.57 118.74 1yd6 h LYS 38 Ca 0.27 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1yd6 h LYS 38 Cb -0.00 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1yd6 h LYS 38 CO -0.05 -0.52 0.06 0.93 -2.27 0.00 0.00 179.45 177.61 1yd6 h GLU 39 N -0.81 0.14 -0.03 1.90 5.08 -1.85 -2.73 114.58 116.29 1yd6 h GLU 39 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1yd6 h GLU 39 Cb 0.75 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1yd6 h GLU 39 CO -0.13 0.14 -0.01 -0.09 -1.00 0.00 0.00 179.01 177.92 1yd6 h ARG 40 N 0.11 0.05 -0.32 2.33 9.65 -1.32 -1.69 114.38 123.19 1yd6 h ARG 40 Ca 0.04 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 1yd6 h ARG 40 Cb 0.03 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1yd6 h ARG 40 CO -0.01 0.41 -0.04 0.28 2.80 0.00 0.00 179.97 183.42 1yd6 h VAL 41 N -0.31 1.27 -0.63 0.20 2.07 -1.31 -2.93 116.25 114.62 1yd6 h VAL 41 Ca 0.01 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1yd6 h VAL 41 Cb 0.39 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1yd6 h VAL 41 CO 0.00 0.34 0.41 0.03 0.02 0.00 0.00 177.57 178.37 1yd6 h ARG 42 N 0.37 0.71 -0.46 1.57 3.08 -1.51 -2.86 114.38 115.29 1yd6 h ARG 42 Ca 0.08 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.23 1yd6 h ARG 42 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1yd6 h ARG 42 CO 0.02 0.47 0.46 0.66 -1.07 0.00 0.00 179.97 180.51 1yd6 h SER 43 N 0.74 0.00 0.42 7.04 4.64 -1.10 -1.26 113.55 124.03 1yd6 h SER 43 Ca 0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 1yd6 h SER 43 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1yd6 h SER 43 CO -0.07 0.00 -0.38 1.88 -0.87 0.00 0.00 176.83 177.39 1yd6 h TYR 44 N 0.00 0.00 -0.41 4.77 0.05 -1.62 -3.25 116.97 116.51 1yd6 h TYR 44 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1yd6 h TYR 44 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 1yd6 h TYR 44 CO 0.00 0.38 0.00 1.19 -1.05 0.00 0.00 178.16 178.68 1yd6 n PHE 45 N -4.01 1.03 -3.92 4.88 3.01 -0.48 -4.94 117.46 113.04 1yd6 n PHE 45 Ca -0.02 -0.69 -0.10 0.00 1.01 0.00 0.00 57.45 57.66 1yd6 n PHE 45 Cb 0.42 -0.23 -0.09 0.00 -0.01 0.00 0.00 39.48 39.58 1yd6 n PHE 45 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1yd6 s THR 46 N -2.03 0.13 0.00 4.37 -1.32 -1.22 -5.13 115.64 110.43 1yd6 s THR 46 Ca 0.40 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1yd6 s THR 46 Cb 0.28 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1yd6 s THR 46 CO 0.16 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 1yd6 n GLY 47 N 0.85 0.23 3.94 6.08 0.00 -1.26 -4.87 105.19 110.16 1yd6 n GLY 47 Ca -0.19 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1yd6 n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yd6 s THR 48 N 0.00 4.98 0.04 2.61 -1.32 -1.26 -5.11 115.64 115.57 1yd6 s THR 48 Ca 0.00 -0.39 -0.23 0.00 -1.21 0.00 0.00 61.69 59.86 1yd6 s THR 48 Cb 0.00 -3.83 0.05 0.00 -1.51 0.00 0.00 72.50 67.22 1yd6 s THR 48 CO 0.00 -0.57 0.53 -1.00 -2.21 0.00 0.00 174.62 171.37 1yd6 s HIS 49 N -2.39 -0.44 0.77 9.09 4.02 -1.26 -5.06 115.29 120.01 1yd6 s HIS 49 Ca 0.42 0.53 -0.12 0.00 1.02 0.00 0.00 55.06 56.91 1yd6 s HIS 49 Cb -0.10 0.34 0.06 0.00 -1.02 0.00 0.00 32.58 31.86 1yd6 s HIS 49 CO 0.37 -0.63 1.12 0.16 1.02 0.00 0.00 174.74 176.78 1yd6 s ASP 50 N -1.87 4.33 0.27 1.40 -4.77 -1.26 -4.65 116.67 110.12 1yd6 s ASP 50 Ca -0.06 1.99 0.00 0.00 -3.30 0.00 0.00 52.55 51.18 1yd6 s ASP 50 Cb -0.01 -2.54 0.59 0.00 -1.09 0.00 0.00 42.92 39.87 1yd6 s ASP 50 CO -0.00 -2.15 1.74 1.23 0.70 0.00 0.00 175.17 176.69 1yd6 h GLY 51 N -0.89 1.43 0.92 2.12 0.00 -2.02 0.26 103.07 104.89 1yd6 h GLY 51 Ca -0.45 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 1yd6 h GLY 51 CO 0.50 -0.10 -0.13 0.50 0.00 0.00 0.00 176.54 177.31 1yd6 h LYS 52 N 0.56 0.65 -0.16 4.80 1.57 -2.01 -2.95 116.57 119.03 1yd6 h LYS 52 Ca 0.49 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1yd6 h LYS 52 Cb 0.77 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1yd6 h LYS 52 CO -0.41 0.86 -0.36 1.15 -0.57 0.00 0.00 179.45 180.12 1yd6 h THR 53 N 0.41 1.29 -0.79 -0.16 2.02 -1.57 -1.66 112.91 112.46 1yd6 h THR 53 Ca 0.07 -1.44 0.15 0.00 0.77 0.00 0.00 66.41 65.96 1yd6 h THR 53 Cb 0.65 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1yd6 h THR 53 CO 0.04 0.44 0.52 -0.61 0.37 0.00 0.00 175.52 176.29 1yd6 h GLN 54 N 0.29 0.45 -0.04 6.66 4.15 -0.40 -0.55 115.11 125.68 1yd6 h GLN 54 Ca 0.03 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1yd6 h GLN 54 Cb 0.78 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.37 1yd6 h GLN 54 CO 0.06 0.30 -0.45 0.00 -1.93 0.00 0.00 178.83 176.81 1yd6 h ARG 55 N 0.47 0.37 -0.44 1.69 2.47 -1.14 -1.36 114.38 116.44 1yd6 h ARG 55 Ca 0.39 -0.35 0.08 0.00 -1.26 0.00 0.00 59.98 58.84 1yd6 h ARG 55 Cb 0.85 0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 29.16 1yd6 h ARG 55 CO -0.14 1.01 -0.38 1.25 0.56 0.00 0.00 179.97 182.28 1yd6 h LEU 56 N -0.14 -1.26 -0.54 3.04 5.85 -1.37 -2.67 115.31 118.23 1yd6 h LEU 56 Ca -0.05 0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1yd6 h LEU 56 Cb 1.14 0.57 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 1yd6 h LEU 56 CO 0.09 -0.34 0.18 0.58 -0.34 0.00 0.00 178.44 178.62 1yd6 h VAL 57 N -0.27 0.79 0.00 1.05 2.07 -0.92 0.16 116.25 119.13 1yd6 h VAL 57 Ca 0.17 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1yd6 h VAL 57 Cb 0.56 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1yd6 h VAL 57 CO -0.58 0.07 0.00 1.05 0.02 0.00 0.00 177.57 178.12 1yd6 h GLU 58 N 0.36 0.00 0.00 1.57 4.11 -1.08 -1.86 114.58 117.68 1yd6 h GLU 58 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1yd6 h GLU 58 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1yd6 h GLU 58 CO -0.28 0.00 -0.64 -1.91 0.07 0.00 0.00 179.01 176.25 1yd6 n GLU 59 N -2.48 0.02 -2.95 1.06 2.13 0.54 -4.88 120.64 114.08 1yd6 n GLU 59 Ca -0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1yd6 n GLU 59 Cb 0.15 -1.51 -0.05 0.00 0.27 0.00 0.00 31.44 30.31 1yd6 n GLU 59 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1yd6 s ILE 60 N -3.01 4.88 -0.11 6.31 1.01 -0.70 -4.27 121.20 125.31 1yd6 s ILE 60 Ca 0.10 1.46 0.08 0.00 0.00 0.00 0.00 60.65 62.29 1yd6 s ILE 60 Cb 0.17 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1yd6 s ILE 60 CO 0.74 -0.04 0.22 0.00 0.00 0.00 0.00 174.94 175.87 1yd6 n ALA 61 N 5.84 2.50 -3.52 9.38 0.00 -0.97 -4.85 120.51 128.88 1yd6 n ALA 61 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1yd6 n ALA 61 Cb 0.48 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1yd6 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yd6 s ASP 62 N -2.57 -0.28 0.10 0.00 2.15 -1.13 -4.66 116.67 110.28 1yd6 s ASP 62 Ca -0.01 -0.52 -0.24 0.00 0.43 0.00 0.00 52.55 52.21 1yd6 s ASP 62 Cb 0.05 0.64 0.06 0.00 -0.30 0.00 0.00 42.92 43.38 1yd6 s ASP 62 CO 0.32 -1.17 0.58 0.72 -0.17 0.00 0.00 175.17 175.46 1yd6 s PHE 63 N -3.89 -0.50 0.14 -5.34 -0.12 -1.26 -0.93 117.98 106.08 1yd6 s PHE 63 Ca 0.10 0.45 0.08 0.00 -0.05 0.00 0.00 56.93 57.52 1yd6 s PHE 63 Cb -0.03 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1yd6 s PHE 63 CO 0.01 -0.75 -0.19 -2.00 -0.05 0.00 0.00 175.22 172.24 1yd6 s GLU 64 N -3.05 1.22 0.08 1.99 2.12 0.00 -4.97 118.70 116.09 1yd6 s GLU 64 Ca -0.02 -1.33 0.04 0.00 0.36 0.00 0.00 54.97 54.02 1yd6 s GLU 64 Cb -0.00 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 1yd6 s GLU 64 CO -0.07 0.28 -0.11 1.52 -0.54 0.00 0.00 175.26 176.35 1yd6 s TYR 65 N -1.78 1.01 -0.16 5.30 1.13 -1.26 -0.44 117.35 121.16 1yd6 s TYR 65 Ca 0.13 -0.56 -0.01 0.00 -1.41 0.00 0.00 57.07 55.21 1yd6 s TYR 65 Cb -0.07 -0.57 0.04 0.00 -1.10 0.00 0.00 41.96 40.27 1yd6 s TYR 65 CO 0.06 -0.01 -0.03 0.42 -2.51 0.00 0.00 175.55 173.48 1yd6 s ILE 66 N -1.86 0.92 0.33 -3.49 1.01 0.00 -5.00 121.20 113.11 1yd6 s ILE 66 Ca -0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1yd6 s ILE 66 Cb -0.07 -1.14 -0.09 0.00 0.01 0.00 0.00 42.46 41.17 1yd6 s ILE 66 CO 0.01 0.09 1.00 -0.69 0.00 0.00 0.00 174.94 175.35 1yd6 s VAL 67 N 1.71 3.94 0.39 2.92 1.01 -1.26 -0.95 120.40 128.17 1yd6 s VAL 67 Ca 0.01 1.67 0.08 0.00 0.00 0.00 0.00 61.98 63.74 1yd6 s VAL 67 Cb -0.15 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1yd6 s VAL 67 CO -0.07 0.19 -0.01 0.42 0.00 0.00 0.00 175.10 175.63 1yd6 s THR 68 N -1.50 2.09 -0.39 3.92 -4.23 -0.07 -4.92 115.64 110.54 1yd6 s THR 68 Ca 0.50 -2.04 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 1yd6 s THR 68 Cb -0.23 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.81 1yd6 s THR 68 CO 0.29 -0.05 1.28 0.77 -0.54 0.00 0.00 174.62 176.36 1yd6 h SER 69 N 1.82 0.00 -5.20 3.99 4.64 -1.97 -3.39 113.55 113.43 1yd6 h SER 69 Ca -0.43 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 1yd6 h SER 69 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 1yd6 h SER 69 CO 0.78 0.02 -0.41 -0.94 -0.87 0.00 0.00 176.83 175.41 1yd6 s SER 70 N -5.32 0.16 0.23 4.97 1.04 -1.26 -4.98 113.70 108.53 1yd6 s SER 70 Ca 0.03 -0.77 -0.09 0.00 0.48 0.00 0.00 55.95 55.61 1yd6 s SER 70 Cb 0.09 0.34 0.20 0.00 0.10 0.00 0.00 66.02 66.75 1yd6 s SER 70 CO 0.74 -0.75 1.90 -1.13 0.98 0.00 0.00 173.24 174.98 1yd6 h ASN 71 N 2.76 0.99 -0.30 7.02 -1.24 -1.94 -1.80 115.58 121.07 1yd6 h ASN 71 Ca -0.34 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 56.67 1yd6 h ASN 71 Cb 1.20 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.97 1yd6 h ASN 71 CO 0.56 0.72 0.13 0.00 -1.29 0.00 0.00 177.43 177.55 1yd6 h ALA 72 N 1.31 0.36 -0.96 1.57 0.00 -2.00 -1.31 119.26 118.23 1yd6 h ALA 72 Ca 0.31 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1yd6 h ALA 72 Cb -0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1yd6 h ALA 72 CO -0.07 -0.26 0.64 1.49 0.00 0.00 0.00 179.25 181.05 1yd6 h GLU 73 N 0.29 1.26 -0.91 0.00 4.81 -1.94 -2.03 114.58 116.06 1yd6 h GLU 73 Ca 0.13 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1yd6 h GLU 73 Cb 0.06 -0.28 -0.07 0.00 0.63 0.00 0.00 28.75 29.09 1yd6 h GLU 73 CO -0.10 0.83 0.56 0.00 -0.73 0.00 0.00 179.01 179.57 1yd6 h ALA 74 N 1.36 1.28 -0.34 2.92 0.00 -0.57 0.11 119.26 124.02 1yd6 h ALA 74 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1yd6 h ALA 74 Cb -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1yd6 h ALA 74 CO -0.08 0.27 -0.22 -0.07 0.00 0.00 0.00 179.25 179.14 1yd6 h LEU 75 N 0.98 0.79 -0.13 0.00 3.38 -0.90 0.12 115.31 119.54 1yd6 h LEU 75 Ca 0.41 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yd6 h LEU 75 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1yd6 h LEU 75 CO -0.20 1.05 0.07 0.40 0.09 0.00 0.00 178.44 179.84 1yd6 h ILE 76 N 0.53 1.10 -0.49 1.22 2.04 -1.09 -2.85 117.51 117.97 1yd6 h ILE 76 Ca 0.07 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1yd6 h ILE 76 Cb 0.78 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1yd6 h ILE 76 CO 0.06 0.09 0.25 0.25 0.00 0.00 0.00 178.15 178.81 1yd6 h LEU 77 N 0.11 0.37 -0.50 1.44 5.85 -0.68 -2.39 115.31 119.51 1yd6 h LEU 77 Ca 0.05 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1yd6 h LEU 77 Cb 0.09 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1yd6 h LEU 77 CO -0.01 0.26 0.00 -0.08 -0.34 0.00 0.00 178.44 178.27 1yd6 h GLU 78 N 0.50 0.12 -0.03 1.25 4.81 -0.55 0.28 114.58 120.95 1yd6 h GLU 78 Ca 0.21 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1yd6 h GLU 78 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1yd6 h GLU 78 CO -0.14 0.08 -0.58 0.52 -0.73 0.00 0.00 179.01 178.15 1yd6 h MET 79 N 0.12 0.11 -0.25 1.92 2.86 -1.27 -1.42 114.93 117.00 1yd6 h MET 79 Ca 0.25 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.66 1yd6 h MET 79 Cb 0.38 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1yd6 h MET 79 CO -0.41 0.66 -0.50 -0.91 1.06 0.00 0.00 176.91 176.81 1yd6 h ASN 80 N 0.08 0.74 -0.16 1.22 2.35 -0.99 -2.25 115.58 116.58 1yd6 h ASN 80 Ca -0.00 -0.38 -0.13 0.00 -0.55 0.00 0.00 56.30 55.24 1yd6 h ASN 80 Cb 1.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 1yd6 h ASN 80 CO 0.08 1.11 -0.35 -0.07 -1.65 0.00 0.00 177.43 176.55 1yd6 h LEU 81 N 0.53 0.70 -0.32 1.61 3.38 -0.70 -0.73 115.31 119.80 1yd6 h LEU 81 Ca 0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yd6 h LEU 81 Cb 1.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1yd6 h LEU 81 CO 0.10 0.99 0.20 0.40 0.09 0.00 0.00 178.44 180.22 1yd6 h ILE 82 N 0.56 1.10 -0.51 1.22 2.04 -1.25 -1.37 117.51 119.31 1yd6 h ILE 82 Ca 0.06 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1yd6 h ILE 82 Cb 0.87 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1yd6 h ILE 82 CO 0.08 0.10 0.33 0.50 0.00 0.00 0.00 178.15 179.16 1yd6 h LYS 83 N 0.41 0.65 -0.27 2.37 1.63 -1.17 0.39 116.57 120.58 1yd6 h LYS 83 Ca 0.11 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1yd6 h LYS 83 Cb -0.00 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1yd6 h LYS 83 CO -0.02 0.43 0.12 -0.22 -3.45 0.00 0.00 179.45 176.31 1yd6 h LYS 84 N 0.67 0.39 0.00 1.90 3.64 -0.99 -3.32 116.57 118.85 1yd6 h LYS 84 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1yd6 h LYS 84 Cb -0.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1yd6 h LYS 84 CO -0.06 0.39 -0.92 0.72 -2.27 0.00 0.00 179.45 177.31 1yd6 n HIS 85 N -4.79 0.00 -3.77 1.91 8.25 -0.53 -5.02 115.22 111.27 1yd6 n HIS 85 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.16 1yd6 n HIS 85 Cb 0.11 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.20 1yd6 n HIS 85 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1yd6 n ASP 86 N -1.48 -3.03 -4.76 0.41 2.03 0.14 -4.82 116.55 105.03 1yd6 n ASP 86 Ca 0.03 -0.83 -0.39 0.00 0.52 0.00 0.00 54.79 54.11 1yd6 n ASP 86 Cb 0.29 -1.10 -0.04 0.00 -0.72 0.00 0.00 41.12 39.55 1yd6 n ASP 86 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1yd6 s PRO 87 N -5.73 4.47 0.15 -0.67 0.02 -1.26 -4.96 135.00 127.02 1yd6 s PRO 87 Ca 0.21 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.71 1yd6 s PRO 87 Cb -0.12 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1yd6 s PRO 87 CO 0.66 0.07 1.56 0.87 -0.33 0.00 0.00 177.00 179.83 1yd6 h LYS 88 N 3.40 -0.31 0.00 5.54 1.57 -1.79 -2.14 116.57 122.84 1yd6 h LYS 88 Ca -0.47 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1yd6 h LYS 88 Cb 1.22 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1yd6 h LYS 88 CO 0.65 -0.21 0.00 1.88 -0.57 0.00 0.00 179.45 181.21 1yd6 h TYR 89 N -0.32 0.00 -0.30 -1.35 0.05 -1.50 -1.89 116.97 111.65 1yd6 h TYR 89 Ca 0.12 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1yd6 h TYR 89 Cb 0.58 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1yd6 h TYR 89 CO -0.71 0.00 -0.14 -0.91 -1.05 0.00 0.00 178.16 175.34 1yd6 h ASN 90 N 0.00 0.51 -0.05 3.88 4.21 -1.56 0.57 115.58 123.14 1yd6 h ASN 90 Ca 0.00 -0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.34 1yd6 h ASN 90 Cb 0.57 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1yd6 h ASN 90 CO 0.00 0.68 -0.09 0.58 -1.29 0.00 0.00 177.43 177.31 1yd6 h VAL 91 N 0.48 1.41 0.00 2.81 2.07 -1.29 -3.35 116.25 118.38 1yd6 h VAL 91 Ca 0.08 -1.36 -0.20 0.00 0.82 0.00 0.00 66.70 66.04 1yd6 h VAL 91 Cb 0.53 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1yd6 h VAL 91 CO 0.03 0.37 -0.95 0.24 0.02 0.00 0.00 177.57 177.28 1yd6 h MET 92 N -0.34 0.00 -0.29 1.57 2.86 -1.17 -2.94 114.93 114.62 1yd6 h MET 92 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1yd6 h MET 92 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1yd6 h MET 92 CO 0.02 0.95 0.00 1.28 1.06 0.00 0.00 176.91 180.22 1yd6 n LEU 93 N -3.41 0.29 -4.72 1.22 4.77 0.17 -4.86 117.00 110.46 1yd6 n LEU 93 Ca -0.00 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1yd6 n LEU 93 Cb 0.90 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1yd6 n LEU 93 CO 0.46 0.07 0.88 -0.75 -1.33 0.00 0.00 177.39 176.73 1yd6 s LYS 94 N -1.70 4.46 0.00 3.23 2.20 -1.11 -5.06 119.74 121.76 1yd6 s LYS 94 Ca 0.00 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 1yd6 s LYS 94 Cb 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1yd6 s LYS 94 CO 0.00 -0.17 0.00 -0.25 -0.36 0.00 0.00 175.35 174.57