#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hss s TYR 7 N 1.57 3.27 0.12 0.00 2.02 -1.26 -4.90 117.35 118.16 1hss s TYR 7 Ca 0.04 1.29 -0.35 0.00 -0.37 0.00 0.00 57.07 57.68 1hss s TYR 7 Cb -0.28 -3.37 -0.16 0.00 -0.40 0.00 0.00 41.96 37.75 1hss s TYR 7 CO 0.03 -0.57 1.32 -2.30 -1.57 0.00 0.00 175.55 172.47 1hss n PRO 8 N 6.45 1.30 0.00 -1.71 -0.02 -1.26 -1.06 135.00 138.69 1hss n PRO 8 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1hss n PRO 8 Cb 0.47 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1hss n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hss n GLY 9 N 2.48 3.15 0.81 -1.23 0.00 0.04 -4.76 105.19 105.68 1hss n GLY 9 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1hss n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hss n GLN 10 N -1.98 0.00 0.11 1.61 10.64 -0.66 -4.68 117.38 122.42 1hss n GLN 10 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 1hss n GLN 10 Cb 0.00 -0.52 0.35 0.00 -0.86 0.00 0.00 30.24 29.21 1hss n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hss h ALA 11 N 0.00 1.41 -2.64 2.61 0.00 -1.39 -3.44 119.26 115.81 1hss h ALA 11 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1hss h ALA 11 Cb 0.64 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.13 1hss h ALA 11 CO 0.00 0.41 -0.37 -0.59 0.00 0.00 0.00 179.25 178.70 1hss s PHE 12 N -4.59 -0.10 0.47 0.00 -0.71 -1.26 -4.71 117.98 107.08 1hss s PHE 12 Ca -0.05 0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.74 1hss s PHE 12 Cb 0.15 0.04 -0.08 0.00 -1.21 0.00 0.00 43.02 41.92 1hss s PHE 12 CO 0.74 -0.33 1.31 0.00 -1.34 0.00 0.00 175.22 175.60 1hss n GLN 13 N 1.45 1.90 -4.78 1.99 10.64 -1.26 -0.78 117.38 126.54 1hss n GLN 13 Ca -0.21 0.68 -0.25 0.00 -1.83 0.00 0.00 57.00 55.39 1hss n GLN 13 Cb 0.56 -2.48 -0.15 0.00 -0.86 0.00 0.00 30.24 27.31 1hss n GLN 13 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1hss s VAL 14 N -1.24 1.53 0.36 -0.39 1.01 -1.26 -3.30 120.40 117.11 1hss s VAL 14 Ca 0.64 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 1hss s VAL 14 Cb -0.47 -1.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.50 1hss s VAL 14 CO 0.55 0.31 1.51 -2.16 0.00 0.00 0.00 175.10 175.32 1hss s PRO 15 N -0.76 4.10 0.29 2.72 0.04 -1.26 -4.98 135.00 135.15 1hss s PRO 15 Ca 0.07 2.59 -0.29 0.00 0.04 0.00 0.00 61.00 63.40 1hss s PRO 15 Cb -0.08 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 1hss s PRO 15 CO 0.00 -0.56 1.19 0.00 0.04 0.00 0.00 177.00 177.68 1hss s ALA 16 N -0.94 3.45 -1.10 8.56 0.00 -1.21 -4.42 121.76 126.10 1hss s ALA 16 Ca 0.55 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 53.33 1hss s ALA 16 Cb -0.47 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1hss s ALA 16 CO 0.61 -0.37 0.73 1.28 0.00 0.00 0.00 175.76 178.01 1hss n LEU 17 N 1.25 -2.05 -0.23 0.00 4.77 -1.26 -4.68 117.00 114.79 1hss n LEU 17 Ca 0.00 -1.06 0.11 0.00 -0.03 0.00 0.00 56.01 55.03 1hss n LEU 17 Cb 0.44 -2.08 0.39 0.00 -2.33 0.00 0.00 43.42 39.83 1hss n LEU 17 CO 0.56 0.49 1.22 -0.65 -1.33 0.00 0.00 177.39 177.68 1hss h PRO 18 N -1.82 0.65 0.00 3.23 0.11 -1.96 -1.36 132.00 130.85 1hss h PRO 18 Ca -0.64 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.43 1hss h PRO 18 Cb 1.36 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1hss h PRO 18 CO 0.47 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 1hss h ALA 19 N 1.60 1.00 0.00 -0.75 0.00 -1.89 -3.12 119.26 116.10 1hss h ALA 19 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1hss h ALA 19 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1hss h ALA 19 CO -0.17 0.00 -0.94 0.00 0.00 0.00 0.00 179.25 178.15 1hss h ARG 21 N 0.00 0.87 -0.08 0.00 3.08 -1.47 -1.14 114.38 115.63 1hss h ARG 21 Ca 0.00 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 1hss h ARG 21 Cb 0.89 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1hss h ARG 21 CO 0.00 0.90 -0.51 -1.00 -1.07 0.00 0.00 179.97 178.30 1hss h PRO 22 N 0.79 0.21 0.18 0.04 0.13 -1.73 -2.70 132.00 128.92 1hss h PRO 22 Ca 0.14 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1hss h PRO 22 Cb 0.56 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1hss h PRO 22 CO 0.03 0.67 -0.09 1.25 -0.23 0.00 0.00 178.00 179.64 1hss h LEU 23 N 0.17 -0.21 -1.18 1.56 5.85 -1.64 -2.41 115.31 117.45 1hss h LEU 23 Ca 0.01 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1hss h LEU 23 Cb 0.95 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1hss h LEU 23 CO 0.08 -0.08 0.57 0.25 -0.34 0.00 0.00 178.44 178.92 1hss h LEU 24 N -0.32 0.89 -0.92 2.25 5.85 -1.20 0.27 115.31 122.12 1hss h LEU 24 Ca -0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1hss h LEU 24 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1hss h LEU 24 CO 0.04 0.58 -0.34 0.03 -0.34 0.00 0.00 178.44 178.41 1hss h ARG 25 N 1.01 0.37 -0.05 1.25 3.08 -1.38 -0.84 114.38 117.83 1hss h ARG 25 Ca 0.37 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1hss h ARG 25 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1hss h ARG 25 CO -0.13 0.67 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.23 1hss h LEU 26 N 0.32 0.20 -1.15 3.04 3.38 -1.12 -3.36 115.31 116.62 1hss h LEU 26 Ca 0.04 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1hss h LEU 26 Cb 0.76 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1hss h LEU 26 CO 0.06 0.78 0.12 1.56 0.09 0.00 0.00 178.44 181.05 1hss h GLN 27 N -0.36 0.72 0.00 1.13 4.20 -0.76 -2.09 115.11 117.95 1hss h GLN 27 Ca -0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1hss h GLN 27 Cb 0.75 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1hss h GLN 27 CO 0.03 0.65 0.00 0.00 -0.67 0.00 0.00 178.83 178.84 1hss n ASN 29 N -1.58 1.84 -0.81 0.00 2.04 -1.22 -4.60 115.26 110.94 1hss n ASN 29 Ca 0.04 -3.20 -0.10 0.00 -0.44 0.00 0.00 54.58 50.88 1hss n ASN 29 Cb 0.22 -0.43 -0.04 0.00 -2.53 0.00 0.00 39.78 37.00 1hss n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1hss n GLY 30 N -1.09 1.10 3.63 4.83 0.00 -0.56 -5.00 105.19 108.10 1hss n GLY 30 Ca 0.15 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1hss n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hss s SER 31 N -2.87 2.45 0.09 1.61 0.01 -0.79 -4.99 113.70 109.21 1hss s SER 31 Ca 0.00 1.59 -0.30 0.00 1.31 0.00 0.00 55.95 58.55 1hss s SER 31 Cb 0.00 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1hss s SER 31 CO 0.00 -3.30 1.02 -1.58 0.41 0.00 0.00 173.24 169.80 1hss s GLN 32 N -4.73 4.61 -0.25 12.44 0.74 -1.26 -4.68 119.66 126.53 1hss s GLN 32 Ca 0.66 1.54 -0.06 0.00 0.05 0.00 0.00 55.36 57.54 1hss s GLN 32 Cb -0.21 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1hss s GLN 32 CO 0.60 0.07 0.05 0.14 -0.55 0.00 0.00 175.29 175.59 1hss s VAL 33 N 0.32 4.05 0.44 1.34 -7.23 -1.26 -4.99 120.40 113.07 1hss s VAL 33 Ca 0.50 -0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 60.11 1hss s VAL 33 Cb -0.25 -2.92 -0.10 0.00 0.56 0.00 0.00 36.38 33.68 1hss s VAL 33 CO 0.30 0.31 1.00 -2.65 -0.31 0.00 0.00 175.10 173.76 1hss n PRO 34 N 4.89 1.30 0.08 4.82 -0.02 -1.26 -4.90 135.00 139.91 1hss n PRO 34 Ca -0.16 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 1hss n PRO 34 Cb 0.51 -2.06 0.44 0.00 -0.02 0.00 0.00 33.50 32.37 1hss n PRO 34 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1hss h GLU 35 N 1.41 0.35 -0.38 -0.52 4.39 -2.00 -2.60 114.58 115.23 1hss h GLU 35 Ca -0.45 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 1hss h GLU 35 Cb 1.34 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1hss h GLU 35 CO 0.56 0.31 -0.06 0.00 -1.16 0.00 0.00 179.01 178.66 1hss h ALA 36 N 1.74 1.18 0.10 3.43 0.00 -1.99 0.13 119.26 123.86 1hss h ALA 36 Ca 0.09 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 1hss h ALA 36 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hss h ALA 36 CO -0.01 0.53 -1.18 -0.39 0.00 0.00 0.00 179.25 178.20 1hss h VAL 37 N 0.60 1.51 -0.19 0.00 -1.51 -1.85 -2.40 116.25 112.41 1hss h VAL 37 Ca 0.11 -3.02 -0.00 0.00 -1.23 0.00 0.00 66.70 62.56 1hss h VAL 37 Cb 0.47 2.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.50 1hss h VAL 37 CO 0.02 0.88 0.11 0.25 -1.23 0.00 0.00 177.57 177.61 1hss h LEU 38 N 0.08 0.23 -0.77 4.19 5.85 -1.35 -2.76 115.31 120.78 1hss h LEU 38 Ca -0.12 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1hss h LEU 38 Cb 1.90 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.83 1hss h LEU 38 CO 0.19 0.21 0.48 -0.09 -0.34 0.00 0.00 178.44 178.89 1hss h ARG 39 N 0.22 0.89 -0.16 1.25 1.12 -0.71 -1.24 114.38 115.75 1hss h ARG 39 Ca 0.07 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.74 1hss h ARG 39 Cb 0.03 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 29.78 1hss h ARG 39 CO -0.01 0.59 -0.52 -0.44 -3.11 0.00 0.00 179.97 176.48 1hss h ASP 40 N 0.92 0.50 -0.26 -3.80 5.19 -1.40 -0.64 116.42 116.93 1hss h ASP 40 Ca 0.32 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1hss h ASP 40 Cb 0.06 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1hss h ASP 40 CO -0.13 0.93 0.03 0.00 -3.12 0.00 0.00 179.24 176.95 1hss h GLN 43 N 0.75 1.23 -0.43 0.00 5.75 -1.06 0.10 115.11 121.45 1hss h GLN 43 Ca 0.15 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1hss h GLN 43 Cb 0.43 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1hss h GLN 43 CO 0.02 0.88 -0.17 1.96 -2.65 0.00 0.00 178.83 178.87 1hss h GLN 44 N 1.24 0.88 -0.71 1.69 4.20 -0.96 -2.94 115.11 118.51 1hss h GLN 44 Ca 0.32 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1hss h GLN 44 Cb -0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1hss h GLN 44 CO -0.05 1.01 0.30 -0.07 -0.67 0.00 0.00 178.83 179.35 1hss h LEU 45 N 0.71 0.97 -2.00 1.46 3.38 -1.09 -3.11 115.31 115.63 1hss h LEU 45 Ca 0.10 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1hss h LEU 45 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1hss h LEU 45 CO 0.06 0.86 0.14 0.00 0.09 0.00 0.00 178.44 179.58 1hss h ALA 46 N 1.14 2.17 -0.64 1.53 0.00 -0.63 -1.09 119.26 121.76 1hss h ALA 46 Ca 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1hss h ALA 46 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1hss h ALA 46 CO -0.02 -0.23 0.42 0.45 0.00 0.00 0.00 179.25 179.86 1hss h HIS 47 N 0.00 0.79 -4.00 0.00 3.86 -1.45 -3.44 115.15 110.91 1hss h HIS 47 Ca 0.09 0.02 -0.47 0.00 -1.16 0.00 0.00 60.37 58.85 1hss h HIS 47 Cb 0.36 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.58 1hss h HIS 47 CO 0.00 0.48 0.39 0.42 0.86 0.00 0.00 177.93 180.08 1hss s ILE 48 N -6.14 3.89 0.72 2.45 1.01 -0.41 -5.06 121.20 117.66 1hss s ILE 48 Ca -0.13 1.34 -0.13 0.00 0.00 0.00 0.00 60.65 61.73 1hss s ILE 48 Cb 0.14 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1hss s ILE 48 CO 0.76 -0.10 1.10 -0.94 0.00 0.00 0.00 174.94 175.76 1hss s SER 49 N -1.78 4.79 0.56 3.58 1.04 -1.26 -4.83 113.70 115.80 1hss s SER 49 Ca 0.60 1.91 0.27 0.00 0.48 0.00 0.00 55.95 59.22 1hss s SER 49 Cb -0.18 -2.54 1.49 0.00 0.10 0.00 0.00 66.02 64.90 1hss s SER 49 CO 0.23 -1.84 2.01 -0.33 0.98 0.00 0.00 173.24 174.28 1hss h GLU 50 N -0.56 0.00 0.00 4.02 5.08 -1.95 1.00 114.58 122.16 1hss h GLU 50 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 1hss h GLU 50 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1hss h GLU 50 CO 0.53 0.00 -0.41 -1.49 -1.00 0.00 0.00 179.01 176.63 1hss h TRP 51 N 0.00 0.00 -0.01 4.33 4.06 -1.91 -1.72 115.95 120.70 1hss h TRP 51 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1hss h TRP 51 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 1hss h TRP 51 CO 0.00 0.41 0.00 0.00 -3.56 0.00 0.00 178.44 175.29 1hss h ARG 53 N 0.41 1.02 -0.05 0.00 -0.00 -1.53 -0.48 114.38 113.75 1hss h ARG 53 Ca 0.00 -0.20 -0.19 0.00 -0.50 0.00 0.00 59.98 59.09 1hss h ARG 53 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1hss h ARG 53 CO 0.00 0.87 -0.77 0.00 0.00 0.00 0.00 179.97 180.07 1hss h GLY 55 N 1.39 1.18 1.01 0.00 0.00 -1.77 -1.45 103.07 103.42 1hss h GLY 55 Ca -0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1hss h GLY 55 CO 0.13 0.46 0.28 0.00 0.00 0.00 0.00 176.54 177.41 1hss h ALA 56 N 1.28 0.86 -0.50 3.60 0.00 -0.90 -1.97 119.26 121.63 1hss h ALA 56 Ca 0.30 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1hss h ALA 56 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1hss h ALA 56 CO -0.06 0.46 -0.15 -0.07 0.00 0.00 0.00 179.25 179.43 1hss h LEU 57 N 0.93 0.97 -0.21 0.00 3.38 -1.36 -1.48 115.31 117.54 1hss h LEU 57 Ca 0.22 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hss h LEU 57 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1hss h LEU 57 CO -0.02 1.11 0.12 0.22 0.09 0.00 0.00 178.44 179.96 1hss h TYR 58 N 0.85 0.29 -0.60 1.13 5.03 -1.21 -1.24 116.97 121.22 1hss h TYR 58 Ca 0.13 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.46 1hss h TYR 58 Cb 0.70 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 1hss h TYR 58 CO 0.04 0.24 0.37 1.03 -1.32 0.00 0.00 178.16 178.52 1hss h SER 59 N 0.25 0.59 0.06 -2.11 0.87 -1.26 -0.63 113.55 111.32 1hss h SER 59 Ca 0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1hss h SER 59 Cb 0.04 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1hss h SER 59 CO -0.01 0.41 -0.03 -0.03 -0.53 0.00 0.00 176.83 176.64 1hss h MET 60 N 0.72 -0.08 -0.48 2.24 1.85 -1.12 -0.37 114.93 117.69 1hss h MET 60 Ca 0.24 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1hss h MET 60 Cb 0.03 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 1hss h MET 60 CO -0.10 -0.04 0.32 1.25 -0.40 0.00 0.00 176.91 177.93 1hss h LEU 61 N -0.09 0.54 -0.45 3.39 5.85 -1.05 -0.70 115.31 122.81 1hss h LEU 61 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1hss h LEU 61 Cb 0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1hss h LEU 61 CO 0.01 0.39 0.28 -0.78 -0.34 0.00 0.00 178.44 178.01 1hss h ASP 62 N 0.64 0.53 -0.51 1.25 3.58 -1.01 -1.86 116.42 119.05 1hss h ASP 62 Ca 0.18 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.61 1hss h ASP 62 Cb -0.06 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1hss h ASP 62 CO -0.05 0.42 0.31 0.28 -2.88 0.00 0.00 179.24 177.32 1hss h SER 63 N 0.61 0.51 -0.76 2.28 0.02 -0.66 0.09 113.55 115.64 1hss h SER 63 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1hss h SER 63 Cb -0.03 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1hss h SER 63 CO -0.03 0.36 0.40 0.24 -1.14 0.00 0.00 176.83 176.66 1hss h MET 64 N 0.63 1.07 -0.14 3.45 2.86 -0.97 -1.52 114.93 120.31 1hss h MET 64 Ca 0.20 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 1hss h MET 64 Cb 0.00 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1hss h MET 64 CO -0.08 0.81 -0.45 1.88 1.06 0.00 0.00 176.91 180.12 1hss h TYR 65 N 1.06 0.41 0.00 -0.22 0.05 -1.16 -1.49 116.97 115.63 1hss h TYR 65 Ca 0.27 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1hss h TYR 65 Cb 0.06 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1hss h TYR 65 CO 0.00 0.74 -0.28 1.63 -1.05 0.00 0.00 178.16 179.21 1hss n LYS 66 N -3.99 0.27 -0.08 4.88 4.01 0.00 -3.71 118.16 119.54 1hss n LYS 66 Ca -0.02 0.16 -0.22 0.00 -0.51 0.00 0.00 58.31 57.71 1hss n LYS 66 Cb 0.52 -1.75 -0.12 0.00 -0.51 0.00 0.00 35.03 33.17 1hss n LYS 66 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1hss n GLU 67 N -2.18 0.63 -0.20 1.97 4.07 -0.59 -5.06 120.64 119.27 1hss n GLU 67 Ca 0.05 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 1hss n GLU 67 Cb 0.43 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1hss n GLU 67 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1hss n HIS 68 N -4.08 0.00 -0.81 4.31 1.44 -0.56 -5.03 115.22 110.48 1hss n HIS 68 Ca -0.35 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.04 1hss n HIS 68 Cb 0.83 0.00 0.15 0.00 0.12 0.00 0.00 29.99 31.09 1hss n HIS 68 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1hss n GLY 78 N -0.91 -0.36 0.22 -1.39 0.00 -1.26 -4.98 105.19 96.50 1hss n GLY 78 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.46 1hss n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hss h ALA 79 N -1.57 1.12 -3.07 4.61 0.00 -1.93 -3.39 119.26 115.02 1hss h ALA 79 Ca -0.44 -0.23 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 1hss h ALA 79 Cb 1.28 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 1hss h ALA 79 CO 0.42 0.32 -0.73 -0.06 0.00 0.00 0.00 179.25 179.20 1hss s PHE 80 N -3.83 2.11 -0.02 0.00 0.08 -1.26 -5.03 117.98 110.02 1hss s PHE 80 Ca -0.01 -2.42 -0.30 0.00 0.12 0.00 0.00 56.93 54.32 1hss s PHE 80 Cb 0.12 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1hss s PHE 80 CO 0.65 -0.80 1.39 -2.14 -0.10 0.00 0.00 175.22 174.22 1hss s PRO 81 N 0.48 4.28 -0.24 0.24 0.02 -1.26 -2.63 135.00 135.89 1hss s PRO 81 Ca 0.16 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1hss s PRO 81 Cb -0.24 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.68 1hss s PRO 81 CO -0.03 -0.59 0.00 0.54 -0.33 0.00 0.00 177.00 176.59 1hss n ARG 82 N 5.53 -0.40 -4.79 5.54 1.74 -1.26 -4.89 116.66 118.14 1hss n ARG 82 Ca 0.13 0.37 -0.32 0.00 -0.77 0.00 0.00 57.85 57.26 1hss n ARG 82 Cb 0.44 -3.88 -0.13 0.00 -1.02 0.00 0.00 32.46 27.87 1hss n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hss s ARG 84 N -0.99 4.63 0.25 0.00 0.52 -1.26 -4.94 118.95 117.16 1hss s ARG 84 Ca 0.13 1.27 -0.13 0.00 -0.52 0.00 0.00 55.73 56.48 1hss s ARG 84 Cb -0.11 -3.33 0.35 0.00 0.52 0.00 0.00 34.95 32.38 1hss s ARG 84 CO 0.03 0.37 1.56 -0.09 0.02 0.00 0.00 175.30 177.19 1hss h ARG 85 N 5.07 -0.01 -0.39 3.54 1.12 -1.99 0.07 114.38 121.80 1hss h ARG 85 Ca -0.45 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.42 1hss h ARG 85 Cb 1.21 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.15 1hss h ARG 85 CO 0.70 -0.01 0.21 0.93 -3.11 0.00 0.00 179.97 178.69 1hss h GLU 86 N -0.01 0.55 0.00 0.20 3.07 -2.00 -2.54 114.58 113.85 1hss h GLU 86 Ca 0.41 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.10 1hss h GLU 86 Cb 0.65 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1hss h GLU 86 CO -0.98 0.45 -0.47 -0.39 -1.40 0.00 0.00 179.01 176.23 1hss h VAL 87 N 0.50 0.93 -0.07 3.13 -1.51 -1.63 -2.50 116.25 115.10 1hss h VAL 87 Ca 0.14 -1.92 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 1hss h VAL 87 Cb 0.06 2.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1hss h VAL 87 CO -0.02 0.46 0.04 0.58 -1.23 0.00 0.00 177.57 177.40 1hss h VAL 88 N 0.00 1.03 0.00 7.19 2.07 -0.67 0.91 116.25 126.78 1hss h VAL 88 Ca -0.00 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 1hss h VAL 88 Cb 1.15 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1hss h VAL 88 CO 0.06 0.03 -0.61 0.07 0.02 0.00 0.00 177.57 177.14 1hss h LYS 89 N 0.08 0.00 -0.56 1.57 2.10 -1.44 -1.28 116.57 117.04 1hss h LYS 89 Ca 0.02 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.63 1hss h LYS 89 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1hss h LYS 89 CO -0.01 0.61 0.18 1.25 -2.00 0.00 0.00 179.45 179.49 1hss h LEU 90 N 0.00 0.80 -0.31 7.07 5.85 -1.36 -2.07 115.31 125.28 1hss h LEU 90 Ca -0.01 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1hss h LEU 90 Cb 1.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1hss h LEU 90 CO 0.08 0.79 -0.05 0.74 -0.34 0.00 0.00 178.44 179.65 1hss h THR 91 N 0.77 1.27 -0.35 1.05 2.02 -0.60 -3.10 112.91 113.97 1hss h THR 91 Ca 0.18 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1hss h THR 91 Cb 0.27 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1hss h THR 91 CO -0.01 0.35 0.04 0.00 0.37 0.00 0.00 175.52 176.27 1hss h ALA 92 N 0.81 1.41 0.00 6.16 0.00 -1.24 -2.42 119.26 123.98 1hss h ALA 92 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hss h ALA 92 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1hss h ALA 92 CO 0.03 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1hss h ALA 93 N 1.53 1.00 0.00 0.00 0.00 -1.30 -3.09 119.26 117.40 1hss h ALA 93 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hss h ALA 93 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hss h ALA 93 CO 0.00 0.00 -0.01 -1.13 0.00 0.00 0.00 179.25 178.11 1hss n SER 94 N -2.85 2.01 0.24 0.00 3.41 -0.93 -0.17 113.62 115.33 1hss n SER 94 Ca 0.00 -2.41 0.08 0.00 -0.26 0.00 0.00 58.87 56.28 1hss n SER 94 Cb 0.24 -0.18 0.59 0.00 -0.26 0.00 0.00 64.21 64.60 1hss n SER 94 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1hss h ILE 95 N 0.31 0.97 0.00 -1.33 2.04 -1.43 -0.71 117.51 117.36 1hss h ILE 95 Ca 0.00 -0.46 -0.18 0.00 1.00 0.00 0.00 64.86 65.22 1hss h ILE 95 Cb 0.75 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1hss h ILE 95 CO 0.00 0.13 -0.85 0.00 0.00 0.00 0.00 178.15 177.42 1hss h THR 96 N 0.00 1.59 -0.12 -0.27 1.03 -1.82 -0.82 112.91 112.50 1hss h THR 96 Ca -0.00 -2.96 -0.14 0.00 -0.01 0.00 0.00 66.41 63.31 1hss h THR 96 Cb 0.25 2.61 0.01 0.00 -1.07 0.00 0.00 68.15 69.94 1hss h THR 96 CO 0.02 0.84 -0.46 0.00 -0.01 0.00 0.00 175.52 175.90 1hss h ALA 97 N 1.15 0.21 0.00 0.00 0.00 0.27 -0.31 119.26 120.58 1hss h ALA 97 Ca -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1hss h ALA 97 Cb 1.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1hss h ALA 97 CO 0.11 0.37 -0.18 -0.39 0.00 0.00 0.00 179.25 179.16 1hss h VAL 98 N 0.13 0.77 -0.00 0.00 -1.51 -0.85 -0.80 116.25 113.98 1hss h VAL 98 Ca -0.02 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1hss h VAL 98 Cb 1.10 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1hss h VAL 98 CO 0.10 0.17 -0.05 0.00 -1.23 0.00 0.00 177.57 176.56 1hss n ARG 100 N -1.28 -5.19 -3.75 0.00 5.12 -0.31 -4.99 116.66 106.26 1hss n ARG 100 Ca 0.12 0.59 -0.38 0.00 -1.93 0.00 0.00 57.85 56.25 1hss n ARG 100 Cb 0.27 -5.34 -0.12 0.00 -1.16 0.00 0.00 32.46 26.11 1hss n ARG 100 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1hss s LEU 101 N -7.10 4.23 0.67 0.55 1.02 -0.20 -5.03 118.68 112.83 1hss s LEU 101 Ca 0.45 -1.04 -0.14 0.00 0.02 0.00 0.00 54.13 53.42 1hss s LEU 101 Cb -0.23 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.12 1hss s LEU 101 CO 0.83 -0.30 1.11 -2.16 0.02 0.00 0.00 176.35 175.85 1hss s PRO 102 N 1.43 2.71 0.18 1.29 0.04 -1.26 -4.47 135.00 134.92 1hss s PRO 102 Ca -0.01 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.48 1hss s PRO 102 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1hss s PRO 102 CO 0.03 -1.32 -0.14 0.96 0.04 0.00 0.00 177.00 176.57 1hss s ILE 103 N -2.39 1.59 -0.21 0.56 -5.25 0.14 -4.67 121.20 110.96 1hss s ILE 103 Ca 0.66 -2.09 -0.09 0.00 -0.99 0.00 0.00 60.65 58.14 1hss s ILE 103 Cb -0.20 -1.92 -0.05 0.00 2.95 0.00 0.00 42.46 43.24 1hss s ILE 103 CO 0.43 -0.57 0.11 0.68 -1.79 0.00 0.00 174.94 173.81 1hss s VAL 104 N -2.83 5.11 0.17 8.37 -7.23 -0.65 -1.11 120.40 122.23 1hss s VAL 104 Ca 0.19 0.09 -0.10 0.00 -1.81 0.00 0.00 61.98 60.35 1hss s VAL 104 Cb -0.01 -3.35 0.05 0.00 0.56 0.00 0.00 36.38 33.63 1hss s VAL 104 CO 0.05 0.40 1.62 0.58 -0.31 0.00 0.00 175.10 177.44 1hss h VAL 105 N 4.93 1.27 -0.33 1.32 2.07 0.13 -3.45 116.25 122.19 1hss h VAL 105 Ca -0.38 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1hss h VAL 105 Cb 1.17 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1hss h VAL 105 CO 0.69 0.43 0.00 -0.90 0.02 0.00 0.00 177.57 177.80 1hss n ASP 106 N -4.19 0.00 0.29 0.57 5.68 -1.26 -5.04 116.55 112.60 1hss n ASP 106 Ca 0.02 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.45 1hss n ASP 106 Cb 0.36 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.20 1hss n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hss h ALA 107 N 2.00 1.59 -0.42 2.12 0.00 -1.95 0.69 119.26 123.29 1hss h ALA 107 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1hss h ALA 107 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1hss h ALA 107 CO 0.00 0.01 0.29 0.66 0.00 0.00 0.00 179.25 180.21 1hss h SER 108 N 0.00 0.15 0.00 0.00 4.64 -2.01 -3.46 113.55 112.88 1hss h SER 108 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hss h SER 108 Cb 0.02 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1hss h SER 108 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1hss n GLY 109 N -1.57 0.75 3.68 -0.77 0.00 0.24 -5.04 105.19 102.47 1hss n GLY 109 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 1hss n GLY 109 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hss n ASP 110 N 0.00 3.50 -4.95 1.61 8.00 -1.26 -4.81 116.55 118.64 1hss n ASP 110 Ca 0.00 1.04 -0.23 0.00 0.71 0.00 0.00 54.79 56.31 1hss n ASP 110 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 1hss n ASP 110 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1hss s GLY 111 N 1.99 1.48 0.26 0.44 0.00 -1.26 0.83 107.32 111.06 1hss s GLY 111 Ca 0.82 -1.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 1hss s GLY 111 CO 0.40 -0.93 0.75 0.00 0.00 0.00 0.00 173.10 173.32 1hss n ALA 112 N -1.91 -1.82 -0.49 3.20 0.00 -0.27 -4.74 120.51 114.48 1hss n ALA 112 Ca -0.01 -0.98 0.02 0.00 0.00 0.00 0.00 53.44 52.47 1hss n ALA 112 Cb 0.57 0.70 0.03 0.00 0.00 0.00 0.00 19.45 20.75 1hss n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hss n TYR 113 N -0.52 0.00 -3.79 0.00 4.01 -1.26 -0.68 117.16 114.92 1hss n TYR 113 Ca -0.05 -0.52 -0.13 0.00 -0.16 0.00 0.00 57.90 57.05 1hss n TYR 113 Cb 0.50 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 1hss n TYR 113 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1hss s VAL 114 N -1.23 -0.01 -0.58 -0.72 0.11 -1.26 -1.19 120.40 115.52 1hss s VAL 114 Ca 0.07 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.03 1hss s VAL 114 Cb 0.06 -0.29 0.15 0.00 -1.53 0.00 0.00 36.38 34.77 1hss s VAL 114 CO 0.01 0.01 0.50 0.00 -3.33 0.00 0.00 175.10 172.29 1hss h LYS 116 N 8.38 0.26 -0.62 0.00 2.10 -1.98 -1.51 116.57 123.20 1hss h LYS 116 Ca -0.17 -0.10 -0.04 0.00 -2.00 0.00 0.00 60.65 58.35 1hss h LYS 116 Cb 1.07 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 1hss h LYS 116 CO 0.90 0.55 0.23 0.38 -2.00 0.00 0.00 179.45 179.50 1hss h ASP 117 N 0.23 0.84 -0.10 7.07 2.03 -1.92 -2.41 116.42 122.15 1hss h ASP 117 Ca 0.03 -0.12 -0.21 0.00 -0.73 0.00 0.00 57.03 56.00 1hss h ASP 117 Cb 0.66 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1hss h ASP 117 CO 0.05 0.77 -0.71 0.58 -1.03 0.00 0.00 179.24 178.90 1hss h VAL 118 N 0.90 1.29 -0.04 4.15 2.07 -1.66 -2.77 116.25 120.20 1hss h VAL 118 Ca 0.21 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.80 1hss h VAL 118 Cb 0.21 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1hss h VAL 118 CO -0.02 0.61 0.03 0.00 0.02 0.00 0.00 177.57 178.22 1hss h ALA 119 N 0.67 1.80 -0.71 1.67 0.00 -1.02 -2.68 119.26 119.00 1hss h ALA 119 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hss h ALA 119 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hss h ALA 119 CO 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1hss n ALA 120 N -2.43 2.36 -1.54 0.00 0.00 -0.93 -4.67 120.51 113.29 1hss n ALA 120 Ca -0.02 -1.29 -0.50 0.00 0.00 0.00 0.00 53.44 51.63 1hss n ALA 120 Cb 0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1hss n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1hss n TYR 121 N 1.58 0.97 -0.78 0.00 4.19 -1.01 -1.99 117.16 120.13 1hss n TYR 121 Ca 0.24 0.77 0.08 0.00 3.31 0.00 0.00 57.90 62.30 1hss n TYR 121 Cb 0.61 -2.21 0.37 0.00 0.49 0.00 0.00 39.34 38.60 1hss n TYR 121 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1hss n PRO 122 N 1.59 4.22 0.00 2.98 -0.05 -1.26 -4.96 135.00 137.53 1hss n PRO 122 Ca 0.16 -3.01 0.00 0.00 -0.05 0.00 0.00 63.50 60.60 1hss n PRO 122 Cb 0.22 -2.06 0.00 0.00 -0.05 0.00 0.00 33.50 31.62 1hss n PRO 122 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1hss n ASP 123 N 0.77 0.00 0.00 3.54 8.00 -0.84 -5.21 116.55 122.81 1hss n ASP 123 Ca 0.26 0.11 0.14 0.00 0.71 0.00 0.00 54.79 56.01 1hss n ASP 123 Cb 1.03 -0.21 0.82 0.00 -0.02 0.00 0.00 41.12 42.74 1hss n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81