#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yd6 h GLU 3 N 0.00 0.15 -0.60 1.20 4.81 -2.03 -2.03 114.58 116.08 1yd6 h GLU 3 Ca 0.00 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1yd6 h GLU 3 Cb 0.00 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1yd6 h GLU 3 CO 0.00 1.01 0.27 0.00 -0.73 0.00 0.00 179.01 179.55 1yd6 h ARG 4 N -0.62 0.47 -0.61 1.92 3.08 -2.02 -1.99 114.38 114.61 1yd6 h ARG 4 Ca -0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1yd6 h ARG 4 Cb 1.13 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 1yd6 h ARG 4 CO 0.06 0.31 0.13 1.25 -1.07 0.00 0.00 179.97 180.64 1yd6 h LEU 5 N 0.49 0.92 -0.59 3.04 5.85 -1.95 -1.25 115.31 121.82 1yd6 h LEU 5 Ca 0.29 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1yd6 h LEU 5 Cb 0.29 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1yd6 h LEU 5 CO -0.25 0.90 0.33 0.11 -0.34 0.00 0.00 178.44 179.19 1yd6 h LYS 6 N 0.92 0.83 -0.79 1.25 6.56 -0.97 -1.33 116.57 123.05 1yd6 h LYS 6 Ca 0.19 -0.10 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 1yd6 h LYS 6 Cb 0.36 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 31.82 1yd6 h LYS 6 CO 0.00 0.63 0.39 1.49 -2.06 0.00 0.00 179.45 179.91 1yd6 h GLU 7 N 0.80 1.12 -0.30 3.15 4.57 -0.93 -0.55 114.58 122.44 1yd6 h GLU 7 Ca 0.21 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1yd6 h GLU 7 Cb 0.04 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1yd6 h GLU 7 CO -0.03 0.86 0.16 0.87 -1.18 0.00 0.00 179.01 179.68 1yd6 h LYS 8 N 1.10 0.43 -0.63 1.92 1.57 -1.01 -2.85 116.57 117.10 1yd6 h LYS 8 Ca 0.27 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1yd6 h LYS 8 Cb 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1yd6 h LYS 8 CO -0.04 0.38 0.33 -0.07 -0.57 0.00 0.00 179.45 179.49 1yd6 h LEU 9 N 0.37 0.78 -1.07 2.94 3.38 -0.86 -3.07 115.31 117.78 1yd6 h LEU 9 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1yd6 h LEU 9 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1yd6 h LEU 9 CO -0.02 0.65 -0.21 0.00 0.09 0.00 0.00 178.44 178.96 1yd6 h ALA 10 N 1.48 1.22 -0.59 1.53 0.00 -0.87 -3.11 119.26 118.92 1yd6 h ALA 10 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1yd6 h ALA 10 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1yd6 h ALA 10 CO -0.03 0.51 0.00 1.33 0.00 0.00 0.00 179.25 181.05 1yd6 n VAL 11 N -4.16 1.51 -1.64 0.00 0.24 -1.16 -4.97 118.33 108.13 1yd6 n VAL 11 Ca -0.00 -1.17 -0.46 0.00 -2.04 0.00 0.00 64.34 60.67 1yd6 n VAL 11 Cb 0.36 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 1yd6 n VAL 11 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1yd6 n LEU 12 N 1.04 2.65 -4.84 1.34 4.77 -1.18 -4.97 117.00 115.81 1yd6 n LEU 12 Ca 0.23 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 57.01 1yd6 n LEU 12 Cb 0.74 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 1yd6 n LEU 12 CO 0.19 -0.67 0.49 -2.16 -1.33 0.00 0.00 177.39 173.91 1yd6 s PRO 13 N -0.08 4.06 -1.38 3.23 0.04 -1.26 -4.61 135.00 135.00 1yd6 s PRO 13 Ca 0.73 0.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 1yd6 s PRO 13 Cb -0.72 -2.35 0.08 0.00 0.04 0.00 0.00 34.50 31.54 1yd6 s PRO 13 CO 0.48 0.09 2.01 0.39 0.04 0.00 0.00 177.00 180.01 1yd6 n GLU 14 N -0.49 3.09 -3.94 4.56 1.02 -1.26 -1.30 120.64 122.32 1yd6 n GLU 14 Ca 0.05 -2.98 -0.09 0.00 -0.02 0.00 0.00 57.16 54.11 1yd6 n GLU 14 Cb 0.53 -3.26 -0.09 0.00 -0.02 0.00 0.00 31.44 28.60 1yd6 n GLU 14 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1yd6 s GLN 15 N 2.89 0.64 0.63 3.49 -1.52 -1.26 -4.91 119.66 119.62 1yd6 s GLN 15 Ca 0.47 -0.87 -0.13 0.00 -1.95 0.00 0.00 55.36 52.89 1yd6 s GLN 15 Cb 0.10 0.25 -0.03 0.00 -0.22 0.00 0.00 33.01 33.11 1yd6 s GLN 15 CO -0.03 -0.16 1.04 -1.25 -0.25 0.00 0.00 175.29 174.63 1yd6 s PRO 16 N -3.07 3.36 0.00 2.91 0.04 -1.12 -1.16 135.00 135.95 1yd6 s PRO 16 Ca -0.01 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1yd6 s PRO 16 Cb 0.02 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1yd6 s PRO 16 CO -0.07 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1yd6 n GLY 17 N -1.97 -0.53 3.17 0.56 0.00 -0.68 -1.27 105.19 104.48 1yd6 n GLY 17 Ca 0.07 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.74 2.44 -0.27 0.00 -0.85 -0.11 -0.53 117.35 117.28 1yd6 s TYR 19 Ca 0.04 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 1yd6 s TYR 19 Cb -0.08 -1.35 0.07 0.00 0.38 0.00 0.00 41.96 40.99 1yd6 s TYR 19 CO 0.01 0.31 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.82 1yd6 s LEU 20 N -1.84 3.22 0.22 -3.49 1.02 0.72 -1.43 118.68 117.10 1yd6 s LEU 20 Ca 0.15 -1.51 -0.30 0.00 0.02 0.00 0.00 54.13 52.49 1yd6 s LEU 20 Cb -0.10 -1.32 -0.08 0.00 0.02 0.00 0.00 46.19 44.71 1yd6 s LEU 20 CO 0.07 -0.28 1.01 -0.04 0.02 0.00 0.00 176.35 177.12 1yd6 s MET 21 N 1.25 4.74 0.07 1.70 -1.94 0.00 -1.18 119.30 123.94 1yd6 s MET 21 Ca -0.01 1.59 0.06 0.00 -1.71 0.00 0.00 55.69 55.63 1yd6 s MET 21 Cb -0.19 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 1yd6 s MET 21 CO -0.09 0.33 -0.16 0.15 -0.01 0.00 0.00 175.02 175.23 1yd6 s LYS 22 N -0.90 0.97 0.89 2.03 1.02 -0.03 -0.08 119.74 123.63 1yd6 s LYS 22 Ca 0.44 -0.96 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 1yd6 s LYS 22 Cb -0.27 -1.05 0.19 0.00 -0.52 0.00 0.00 37.83 36.17 1yd6 s LYS 22 CO 0.34 0.25 1.22 0.16 -0.92 0.00 0.00 175.35 176.39 1yd6 s ASP 23 N -1.60 3.40 0.39 2.83 1.47 -0.77 -1.30 116.67 121.09 1yd6 s ASP 23 Ca 0.02 -0.11 0.18 0.00 1.18 0.00 0.00 52.55 53.82 1yd6 s ASP 23 Cb -0.09 0.02 1.08 0.00 -0.34 0.00 0.00 42.92 43.59 1yd6 s ASP 23 CO 0.02 -2.52 1.76 0.11 0.68 0.00 0.00 175.17 175.23 1yd6 h LYS 24 N -1.28 0.40 -0.11 2.11 6.56 -1.92 -1.63 116.57 120.69 1yd6 h LYS 24 Ca -0.40 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 1yd6 h LYS 24 Cb 1.23 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1yd6 h LYS 24 CO 0.34 0.26 0.00 0.72 -2.06 0.00 0.00 179.45 178.72 1yd6 n HIS 25 N -4.65 0.14 -0.53 -1.35 8.25 -1.26 -4.93 115.22 110.89 1yd6 n HIS 25 Ca 0.26 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1yd6 n HIS 25 Cb 0.87 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.98 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 1.11 0.74 3.72 -1.41 0.00 -0.61 -5.04 105.19 103.70 1yd6 n GLY 26 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 4.70 -0.07 2.61 2.01 -1.26 -4.80 115.64 116.67 1yd6 s THR 27 Ca 0.00 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.69 1yd6 s THR 27 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1yd6 s THR 27 CO 0.00 0.26 1.51 -0.69 -0.69 0.00 0.00 174.62 175.01 1yd6 s VAL 28 N 0.44 3.75 -0.22 3.82 1.01 -1.26 -1.84 120.40 126.10 1yd6 s VAL 28 Ca 0.47 0.98 0.11 0.00 0.00 0.00 0.00 61.98 63.54 1yd6 s VAL 28 Cb -0.22 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1yd6 s VAL 28 CO 0.28 -0.07 0.34 2.30 0.00 0.00 0.00 175.10 177.95 1yd6 n ILE 29 N 5.27 0.00 -3.71 2.22 -5.35 0.88 -4.45 119.36 114.22 1yd6 n ILE 29 Ca 0.16 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1yd6 n ILE 29 Cb 0.43 0.54 -0.09 0.00 -1.74 0.00 0.00 39.64 38.78 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 -2.50 -0.54 -0.10 4.28 5.04 -1.20 -0.76 117.35 121.57 1yd6 s TYR 30 Ca -0.01 1.30 0.04 0.00 -2.44 0.00 0.00 57.07 55.96 1yd6 s TYR 30 Cb 0.08 0.20 -0.00 0.00 0.35 0.00 0.00 41.96 42.58 1yd6 s TYR 30 CO 0.47 -0.27 -0.22 0.08 -1.34 0.00 0.00 175.55 174.27 1yd6 s VAL 31 N 0.38 2.22 0.18 3.14 1.01 -1.26 -0.81 120.40 125.25 1yd6 s VAL 31 Ca -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1yd6 s VAL 31 Cb -0.04 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1yd6 s VAL 31 CO -0.01 0.56 -0.04 -0.83 0.00 0.00 0.00 175.10 174.78 1yd6 s GLY 32 N 0.27 1.25 0.06 4.51 0.00 -0.52 -4.96 107.32 107.95 1yd6 s GLY 32 Ca -0.16 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 42.97 1yd6 s GLY 32 CO 0.08 -1.59 0.16 1.25 0.00 0.00 0.00 173.10 172.99 1yd6 s LYS 33 N -3.83 3.23 -0.03 2.90 2.20 -1.26 -0.93 119.74 122.01 1yd6 s LYS 33 Ca 0.22 -0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1yd6 s LYS 33 Cb 0.05 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1yd6 s LYS 33 CO 0.04 0.60 0.08 0.00 -0.36 0.00 0.00 175.35 175.70 1yd6 s ALA 34 N -1.45 -0.15 0.22 3.13 0.00 0.20 -4.94 121.76 118.77 1yd6 s ALA 34 Ca 0.32 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 1yd6 s ALA 34 Cb -0.13 -0.18 0.22 0.00 0.00 0.00 0.00 23.12 23.03 1yd6 s ALA 34 CO 0.25 -0.06 1.62 0.87 0.00 0.00 0.00 175.76 178.44 1yd6 h LYS 35 N 6.39 0.63 -3.58 0.00 1.57 -1.87 -1.81 116.57 117.90 1yd6 h LYS 35 Ca -0.30 -0.29 -0.50 0.00 -1.87 0.00 0.00 60.65 57.69 1yd6 h LYS 35 Cb 1.18 -0.01 -0.39 0.00 0.08 0.00 0.00 32.23 33.09 1yd6 h LYS 35 CO 0.46 0.88 -0.77 0.45 -0.57 0.00 0.00 179.45 179.90 1yd6 s SER 36 N -6.82 2.61 0.26 0.86 0.15 -1.26 -2.80 113.70 106.70 1yd6 s SER 36 Ca -0.08 -0.65 -0.04 0.00 0.70 0.00 0.00 55.95 55.88 1yd6 s SER 36 Cb 0.13 -0.56 0.31 0.00 -1.71 0.00 0.00 66.02 64.18 1yd6 s SER 36 CO 0.83 -0.28 1.84 -0.07 1.20 0.00 0.00 173.24 176.76 1yd6 h LEU 37 N 8.26 0.96 0.17 3.45 3.38 -1.18 -1.96 115.31 128.40 1yd6 h LEU 37 Ca -0.17 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1yd6 h LEU 37 Cb 1.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1yd6 h LEU 37 CO 0.32 0.84 -0.32 0.50 0.09 0.00 0.00 178.44 179.87 1yd6 h LYS 38 N 1.03 -0.55 0.10 1.13 3.64 -1.45 -0.65 116.57 119.82 1yd6 h LYS 38 Ca 0.25 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1yd6 h LYS 38 Cb 0.16 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1yd6 h LYS 38 CO -0.03 -0.37 -0.06 0.93 -2.27 0.00 0.00 179.45 177.65 1yd6 h GLU 39 N -0.57 -0.16 0.05 1.90 5.08 -1.83 -2.66 114.58 116.39 1yd6 h GLU 39 Ca 0.02 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1yd6 h GLU 39 Cb 0.58 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1yd6 h GLU 39 CO -0.15 -0.10 -0.02 0.00 -1.00 0.00 0.00 179.01 177.73 1yd6 h ARG 40 N -0.16 -0.06 -0.54 2.33 2.47 -1.36 -2.06 114.38 115.00 1yd6 h ARG 40 Ca -0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1yd6 h ARG 40 Cb 0.14 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1yd6 h ARG 40 CO 0.01 0.27 0.26 0.28 0.56 0.00 0.00 179.97 181.35 1yd6 h VAL 41 N -0.40 1.20 -0.27 2.04 2.07 -1.20 -2.72 116.25 116.97 1yd6 h VAL 41 Ca -0.01 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1yd6 h VAL 41 Cb 0.36 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1yd6 h VAL 41 CO 0.01 0.23 0.02 0.03 0.02 0.00 0.00 177.57 177.87 1yd6 h ARG 42 N 0.73 0.40 -0.12 1.57 3.08 -1.54 -2.81 114.38 115.69 1yd6 h ARG 42 Ca 0.19 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1yd6 h ARG 42 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1yd6 h ARG 42 CO -0.02 0.42 0.18 0.66 -1.07 0.00 0.00 179.97 180.13 1yd6 h SER 43 N 0.39 0.00 1.43 7.04 4.64 -1.03 -1.17 113.55 124.85 1yd6 h SER 43 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1yd6 h SER 43 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1yd6 h SER 43 CO 0.00 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.84 1yd6 h TYR 44 N 0.00 0.00 -0.28 4.77 0.05 -1.59 -3.27 116.97 116.65 1yd6 h TYR 44 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1yd6 h TYR 44 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1yd6 h TYR 44 CO 0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.30 1yd6 n PHE 45 N -2.88 0.84 -3.54 4.88 3.01 -0.45 -4.95 117.46 114.37 1yd6 n PHE 45 Ca 0.03 -0.79 -0.12 0.00 1.01 0.00 0.00 57.45 57.57 1yd6 n PHE 45 Cb 0.40 -0.25 -0.04 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 -2.42 0.03 0.00 4.37 -1.32 -1.22 -5.12 115.64 109.96 1yd6 s THR 46 Ca 0.38 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1yd6 s THR 46 Cb 0.29 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1yd6 s THR 46 CO 0.10 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1yd6 n GLY 47 N -0.04 -0.99 3.47 6.08 0.00 -1.26 -4.85 105.19 107.60 1yd6 n GLY 47 Ca -0.17 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 1yd6 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yd6 s THR 48 N 0.00 2.76 0.09 2.61 2.01 -1.26 -5.13 115.64 116.71 1yd6 s THR 48 Ca 0.00 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 60.45 1yd6 s THR 48 Cb 0.00 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1yd6 s THR 48 CO 0.00 0.09 -0.04 -1.00 -0.69 0.00 0.00 174.62 172.97 1yd6 s HIS 49 N -1.16 0.77 1.15 4.92 4.02 -1.26 -5.13 115.29 118.60 1yd6 s HIS 49 Ca 0.18 -0.99 -0.13 0.00 1.02 0.00 0.00 55.06 55.13 1yd6 s HIS 49 Cb -0.10 -0.48 0.27 0.00 -1.02 0.00 0.00 32.58 31.25 1yd6 s HIS 49 CO 0.10 -0.25 1.04 0.16 1.02 0.00 0.00 174.74 176.81 1yd6 s ASP 50 N -3.01 1.20 0.19 1.40 -4.77 -1.26 -4.65 116.67 105.78 1yd6 s ASP 50 Ca 0.11 1.32 -0.12 0.00 -3.30 0.00 0.00 52.55 50.56 1yd6 s ASP 50 Cb 0.06 -2.05 0.11 0.00 -1.09 0.00 0.00 42.92 39.96 1yd6 s ASP 50 CO -0.06 -4.03 1.86 1.23 0.70 0.00 0.00 175.17 174.86 1yd6 h GLY 51 N -2.51 0.92 1.33 2.12 0.00 -1.98 0.26 103.07 103.21 1yd6 h GLY 51 Ca -0.59 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 46.23 1yd6 h GLY 51 CO 0.51 0.34 -0.46 0.50 0.00 0.00 0.00 176.54 177.44 1yd6 h LYS 52 N 0.88 0.72 -0.08 4.80 1.57 -1.94 -2.51 116.57 120.02 1yd6 h LYS 52 Ca 0.24 -0.41 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 1yd6 h LYS 52 Cb -0.09 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1yd6 h LYS 52 CO -0.05 1.03 -0.72 1.15 -0.57 0.00 0.00 179.45 180.29 1yd6 h THR 53 N 0.58 1.38 -0.09 -0.16 2.02 -1.89 -3.13 112.91 111.63 1yd6 h THR 53 Ca 0.03 -2.13 -0.04 0.00 0.77 0.00 0.00 66.41 65.04 1yd6 h THR 53 Cb 1.01 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 1yd6 h THR 53 CO 0.10 0.64 -0.14 -0.61 0.37 0.00 0.00 175.52 175.88 1yd6 h GLN 54 N 0.26 0.13 -0.35 6.66 5.75 -0.27 -1.07 115.11 126.23 1yd6 h GLN 54 Ca -0.03 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 1yd6 h GLN 54 Cb 1.29 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 1yd6 h GLN 54 CO 0.12 0.28 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.44 1yd6 h ARG 55 N 0.13 0.65 -0.18 1.69 2.43 -1.40 -0.09 114.38 117.62 1yd6 h ARG 55 Ca 0.03 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1yd6 h ARG 55 Cb 0.33 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 1yd6 h ARG 55 CO 0.02 0.80 -0.34 1.25 -1.51 0.00 0.00 179.97 180.19 1yd6 h LEU 56 N 0.45 -1.06 -0.95 3.80 5.85 -1.43 -2.74 115.31 119.24 1yd6 h LEU 56 Ca 0.09 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.09 1yd6 h LEU 56 Cb 0.54 0.46 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 1yd6 h LEU 56 CO 0.03 -0.36 0.57 0.58 -0.34 0.00 0.00 178.44 178.92 1yd6 h VAL 57 N -0.39 0.88 -0.64 1.05 2.07 -0.81 0.11 116.25 118.52 1yd6 h VAL 57 Ca 0.10 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1yd6 h VAL 57 Cb 0.56 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1yd6 h VAL 57 CO -0.39 0.16 0.42 -0.33 0.02 0.00 0.00 177.57 177.45 1yd6 h GLU 58 N 0.89 0.57 -0.00 1.57 5.08 -0.73 -2.94 114.58 119.01 1yd6 h GLU 58 Ca 0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1yd6 h GLU 58 Cb 0.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1yd6 h GLU 58 CO -0.28 0.38 -0.32 0.39 -1.00 0.00 0.00 179.01 178.17 1yd6 n GLU 59 N -4.48 0.21 -2.27 2.33 1.02 0.01 -4.87 120.64 112.59 1yd6 n GLU 59 Ca 0.09 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1yd6 n GLU 59 Cb 0.27 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 1yd6 n GLU 59 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1yd6 s ILE 60 N -2.86 3.74 -0.19 -3.67 1.01 -1.09 -4.20 121.20 113.93 1yd6 s ILE 60 Ca 0.16 0.69 0.22 0.00 0.00 0.00 0.00 60.65 61.72 1yd6 s ILE 60 Cb 0.18 -4.15 -0.30 0.00 0.01 0.00 0.00 42.46 38.20 1yd6 s ILE 60 CO 0.61 -0.84 0.58 0.00 0.00 0.00 0.00 174.94 175.29 1yd6 n ALA 61 N 9.71 3.08 -3.62 9.38 0.00 -0.42 -4.99 120.51 133.66 1yd6 n ALA 61 Ca 0.17 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 53.04 1yd6 n ALA 61 Cb 0.49 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 -4.33 -0.24 0.21 0.00 2.15 -1.12 -4.93 116.67 108.40 1yd6 s ASP 62 Ca -0.05 -0.16 -0.14 0.00 0.43 0.00 0.00 52.55 52.63 1yd6 s ASP 62 Cb 0.14 0.37 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 1yd6 s ASP 62 CO 0.90 -0.64 0.46 0.72 -0.17 0.00 0.00 175.17 176.43 1yd6 s PHE 63 N -3.03 0.18 0.08 -5.34 -0.12 -1.26 -0.85 117.98 107.64 1yd6 s PHE 63 Ca 0.09 -0.54 -0.06 0.00 -0.05 0.00 0.00 56.93 56.37 1yd6 s PHE 63 Cb -0.00 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1yd6 s PHE 63 CO -0.04 -0.91 0.11 -2.00 -0.05 0.00 0.00 175.22 172.33 1yd6 s GLU 64 N -3.95 0.77 0.09 1.99 2.12 -0.33 -4.98 118.70 114.41 1yd6 s GLU 64 Ca 0.16 -1.08 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 1yd6 s GLU 64 Cb -0.00 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.70 1yd6 s GLU 64 CO 0.03 -0.22 0.27 1.52 -0.54 0.00 0.00 175.26 176.32 1yd6 s TYR 65 N -3.89 -0.00 -0.13 5.30 1.13 -1.26 -0.20 117.35 118.30 1yd6 s TYR 65 Ca 0.07 -0.33 -0.00 0.00 -1.41 0.00 0.00 57.07 55.40 1yd6 s TYR 65 Cb 0.06 0.06 0.03 0.00 -1.10 0.00 0.00 41.96 41.01 1yd6 s TYR 65 CO -0.10 -0.57 -0.07 0.42 -2.51 0.00 0.00 175.55 172.73 1yd6 s ILE 66 N -3.49 1.05 0.26 -3.49 1.01 0.31 -4.99 121.20 111.86 1yd6 s ILE 66 Ca 0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1yd6 s ILE 66 Cb 0.03 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.28 1yd6 s ILE 66 CO -0.09 0.29 0.97 -0.69 0.00 0.00 0.00 174.94 175.42 1yd6 s VAL 67 N 1.68 3.95 0.40 2.92 1.01 -1.26 -1.15 120.40 127.95 1yd6 s VAL 67 Ca 0.04 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.03 1yd6 s VAL 67 Cb -0.13 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 1yd6 s VAL 67 CO -0.08 0.44 0.04 0.42 0.00 0.00 0.00 175.10 175.92 1yd6 s THR 68 N -1.21 2.18 -0.09 3.92 -4.23 -0.39 -4.94 115.64 110.87 1yd6 s THR 68 Ca 0.43 -1.94 0.24 0.00 -1.18 0.00 0.00 61.69 59.24 1yd6 s THR 68 Cb -0.27 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 70.91 1yd6 s THR 68 CO 0.33 -0.05 1.73 0.77 -0.54 0.00 0.00 174.62 176.87 1yd6 h SER 69 N 1.71 0.00 -5.03 3.99 4.64 -1.94 -3.42 113.55 113.51 1yd6 h SER 69 Ca -0.43 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1yd6 h SER 69 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 1yd6 h SER 69 CO 0.75 0.16 0.26 -0.94 -0.87 0.00 0.00 176.83 176.19 1yd6 s SER 70 N -6.13 -0.22 0.28 4.97 1.04 -1.26 -4.99 113.70 107.39 1yd6 s SER 70 Ca 0.03 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1yd6 s SER 70 Cb 0.08 0.72 0.42 0.00 0.10 0.00 0.00 66.02 67.35 1yd6 s SER 70 CO 0.64 -1.35 1.76 0.78 0.98 0.00 0.00 173.24 176.05 1yd6 h ASN 71 N 2.00 0.56 -0.49 7.02 2.35 -1.93 -1.98 115.58 123.11 1yd6 h ASN 71 Ca -0.21 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1yd6 h ASN 71 Cb 1.25 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 1yd6 h ASN 71 CO 0.25 0.73 0.30 0.00 -1.65 0.00 0.00 177.43 177.07 1yd6 h ALA 72 N 1.33 0.62 -0.12 -0.83 0.00 -2.00 -1.35 119.26 116.91 1yd6 h ALA 72 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1yd6 h ALA 72 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1yd6 h ALA 72 CO 0.03 0.10 -0.45 0.93 0.00 0.00 0.00 179.25 179.87 1yd6 h GLU 73 N 0.66 0.28 -0.67 0.00 4.39 -1.92 -2.49 114.58 114.82 1yd6 h GLU 73 Ca 0.18 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1yd6 h GLU 73 Cb -0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1yd6 h GLU 73 CO -0.03 0.68 0.25 0.00 -1.16 0.00 0.00 179.01 178.75 1yd6 h ALA 74 N 1.30 1.17 0.19 3.43 0.00 -0.91 -1.06 119.26 123.39 1yd6 h ALA 74 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1yd6 h ALA 74 Cb 0.89 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1yd6 h ALA 74 CO 0.07 0.59 -0.09 1.25 0.00 0.00 0.00 179.25 181.07 1yd6 h LEU 75 N 0.98 -0.22 -0.40 0.00 5.85 -0.89 -0.02 115.31 120.60 1yd6 h LEU 75 Ca 0.23 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1yd6 h LEU 75 Cb 0.21 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1yd6 h LEU 75 CO -0.02 -0.04 0.12 0.40 -0.34 0.00 0.00 178.44 178.55 1yd6 h ILE 76 N -0.39 0.84 -0.69 4.05 2.04 -1.39 -2.39 117.51 119.58 1yd6 h ILE 76 Ca -0.03 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1yd6 h ILE 76 Cb 0.30 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1yd6 h ILE 76 CO 0.04 0.05 0.36 0.25 0.00 0.00 0.00 178.15 178.85 1yd6 h LEU 77 N 0.26 0.88 -0.40 1.44 5.85 -1.14 -2.46 115.31 119.74 1yd6 h LEU 77 Ca 0.19 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1yd6 h LEU 77 Cb 0.20 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1yd6 h LEU 77 CO -0.22 0.75 0.04 -0.08 -0.34 0.00 0.00 178.44 178.59 1yd6 h GLU 78 N 0.95 0.15 -0.17 1.25 4.81 -0.52 0.26 114.58 121.32 1yd6 h GLU 78 Ca 0.24 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1yd6 h GLU 78 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1yd6 h GLU 78 CO -0.03 0.10 -0.46 0.52 -0.73 0.00 0.00 179.01 178.40 1yd6 h MET 79 N 0.16 0.43 -0.41 1.92 2.86 -1.30 -1.60 114.93 116.99 1yd6 h MET 79 Ca 0.19 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1yd6 h MET 79 Cb 0.26 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1yd6 h MET 79 CO -0.29 0.81 -0.31 -0.91 1.06 0.00 0.00 176.91 177.27 1yd6 h ASN 80 N 0.34 0.96 -0.26 1.22 2.35 -1.06 -2.11 115.58 117.02 1yd6 h ASN 80 Ca 0.02 -0.40 -0.09 0.00 -0.55 0.00 0.00 56.30 55.28 1yd6 h ASN 80 Cb 0.95 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1yd6 h ASN 80 CO 0.08 1.19 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.83 1yd6 h LEU 81 N 0.77 0.68 -0.37 1.61 3.38 -0.73 -0.32 115.31 120.33 1yd6 h LEU 81 Ca 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1yd6 h LEU 81 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1yd6 h LEU 81 CO 0.08 0.84 0.14 0.40 0.09 0.00 0.00 178.44 179.99 1yd6 h ILE 82 N 0.62 1.20 -0.46 1.22 2.04 -1.23 -0.85 117.51 120.05 1yd6 h ILE 82 Ca 0.10 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1yd6 h ILE 82 Cb 0.60 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1yd6 h ILE 82 CO 0.04 0.22 0.29 0.50 0.00 0.00 0.00 178.15 179.20 1yd6 h LYS 83 N 0.44 0.57 -0.40 2.37 1.63 -1.17 0.35 116.57 120.36 1yd6 h LYS 83 Ca 0.12 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1yd6 h LYS 83 Cb 0.21 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1yd6 h LYS 83 CO -0.01 0.38 0.17 -0.22 -3.45 0.00 0.00 179.45 176.32 1yd6 h LYS 84 N 0.59 0.60 0.00 1.90 3.64 -0.90 -3.34 116.57 119.05 1yd6 h LYS 84 Ca 0.17 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1yd6 h LYS 84 Cb -0.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1yd6 h LYS 84 CO -0.06 0.55 -1.26 0.72 -2.27 0.00 0.00 179.45 177.14 1yd6 n HIS 85 N -4.66 0.00 -4.00 1.91 8.25 -0.34 -5.02 115.22 111.37 1yd6 n HIS 85 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1yd6 n HIS 85 Cb 0.14 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.73 -3.83 -4.75 0.41 2.03 0.12 -4.81 116.55 104.00 1yd6 n ASP 86 Ca -0.00 -1.15 -0.41 0.00 0.52 0.00 0.00 54.79 53.75 1yd6 n ASP 86 Cb 0.34 -1.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.26 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 -6.85 4.48 0.25 -0.67 0.02 -1.26 -4.92 135.00 126.05 1yd6 s PRO 87 Ca 0.38 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.32 1yd6 s PRO 87 Cb -0.21 -3.19 0.46 0.00 0.02 0.00 0.00 34.50 31.58 1yd6 s PRO 87 CO 0.88 -0.07 1.78 1.57 -0.33 0.00 0.00 177.00 180.84 1yd6 h LYS 88 N 4.60 0.67 0.00 5.54 2.10 -1.76 -1.71 116.57 126.00 1yd6 h LYS 88 Ca -0.46 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1yd6 h LYS 88 Cb 1.22 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1yd6 h LYS 88 CO 0.72 0.44 0.00 1.88 -2.00 0.00 0.00 179.45 180.49 1yd6 h TYR 89 N 0.69 0.00 -0.49 0.07 0.05 -1.30 -2.83 116.97 113.16 1yd6 h TYR 89 Ca 0.42 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.14 1yd6 h TYR 89 Cb 0.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 1yd6 h TYR 89 CO -0.08 0.00 0.04 -0.91 -1.05 0.00 0.00 178.16 176.16 1yd6 h ASN 90 N 0.00 0.75 0.29 3.88 4.21 -1.47 -1.28 115.58 121.96 1yd6 h ASN 90 Ca 0.00 -0.16 -0.33 0.00 1.21 0.00 0.00 56.30 57.02 1yd6 h ASN 90 Cb 0.79 -0.20 0.03 0.00 -1.12 0.00 0.00 38.32 37.83 1yd6 h ASN 90 CO 0.00 0.79 -1.43 -0.37 -1.29 0.00 0.00 177.43 175.13 1yd6 h VAL 91 N 0.75 1.31 -0.32 2.81 -1.51 -1.57 -3.10 116.25 114.62 1yd6 h VAL 91 Ca 0.15 -2.72 -0.14 0.00 -1.23 0.00 0.00 66.70 62.77 1yd6 h VAL 91 Cb 0.39 2.99 -0.01 0.00 -2.13 0.00 0.00 31.29 32.54 1yd6 h VAL 91 CO 0.01 0.81 -0.36 0.24 -1.23 0.00 0.00 177.57 177.04 1yd6 h MET 92 N 0.16 0.73 -0.19 5.19 2.86 -1.50 -3.16 114.93 119.02 1yd6 h MET 92 Ca -0.24 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1yd6 h MET 92 Cb 2.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.78 1yd6 h MET 92 CO 0.27 0.98 0.00 1.28 1.06 0.00 0.00 176.91 180.49 1yd6 n LEU 93 N -4.05 2.36 0.17 1.22 4.77 -0.49 -4.62 117.00 116.36 1yd6 n LEU 93 Ca -0.01 -0.94 -0.07 0.00 -0.03 0.00 0.00 56.01 54.95 1yd6 n LEU 93 Cb 0.51 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1yd6 n LEU 93 CO 0.46 0.47 0.33 0.50 -1.33 0.00 0.00 177.39 177.83 1yd6 h LYS 94 N 3.26 -0.44 -7.24 3.23 3.64 -1.50 -3.46 116.57 114.06 1yd6 h LYS 94 Ca 0.00 0.03 -0.42 0.00 -1.27 0.00 0.00 60.65 58.99 1yd6 h LYS 94 Cb 0.71 0.10 0.19 0.00 -0.41 0.00 0.00 32.23 32.82 1yd6 h LYS 94 CO 0.00 -0.29 0.06 -0.51 -2.27 0.00 0.00 179.45 176.44 1yd6 s ASP 95 N -3.51 0.91 1.27 4.20 1.01 -1.26 -5.02 116.67 114.27 1yd6 s ASP 95 Ca -0.07 1.05 -0.21 0.00 0.71 0.00 0.00 52.55 54.04 1yd6 s ASP 95 Cb 0.01 -1.59 0.31 0.00 1.01 0.00 0.00 42.92 42.66 1yd6 s ASP 95 CO 0.20 -4.18 1.04 -0.90 0.21 0.00 0.00 175.17 171.54 1yd6 n ASP 96 N -4.85 -2.29 0.00 0.27 5.75 -1.26 -5.12 116.55 109.05 1yd6 n ASP 96 Ca 0.08 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1yd6 n ASP 96 Cb 0.58 -0.98 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1yd6 n ASP 96 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38