#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 2.32 3.37 0.08 0.00 2.02 -1.26 -4.89 117.35 118.98 1hss s TYR 7 Ca 0.10 1.42 -0.36 0.00 -0.37 0.00 0.00 57.07 57.86 1hss s TYR 7 Cb -0.23 -3.20 -0.15 0.00 -0.40 0.00 0.00 41.96 37.97 1hss s TYR 7 CO 0.08 -0.41 1.48 -2.30 -1.57 0.00 0.00 175.55 172.83 1hss n PRO 8 N 6.00 1.55 0.00 -1.71 -0.02 -1.26 -0.63 135.00 138.92 1hss n PRO 8 Ca 0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1hss n PRO 8 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 3.04 2.79 0.25 -1.23 0.00 0.26 -4.77 105.19 105.52 1hss n GLY 9 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.93 0.00 0.13 1.61 10.64 -0.75 -4.70 117.38 122.38 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 -0.68 0.32 0.00 -0.86 0.00 0.00 30.24 29.02 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 1.33 -2.53 2.61 0.00 -1.17 -3.45 119.26 116.05 1hss h ALA 11 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1hss h ALA 11 Cb 0.53 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.07 1hss h ALA 11 CO 0.00 0.47 -0.19 -0.59 0.00 0.00 0.00 179.25 178.94 1hss s PHE 12 N -4.36 -0.18 0.44 0.00 -0.12 -1.25 -4.73 117.98 107.78 1hss s PHE 12 Ca -0.04 0.11 -0.24 0.00 -0.05 0.00 0.00 56.93 56.70 1hss s PHE 12 Cb 0.14 0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.60 1hss s PHE 12 CO 0.74 -0.52 1.27 1.14 -0.05 0.00 0.00 175.22 177.81 1hss s GLN 13 N -2.38 3.77 -0.03 1.99 -2.07 -1.26 -0.58 119.66 119.10 1hss s GLN 13 Ca -0.06 2.06 0.06 0.00 -1.82 0.00 0.00 55.36 55.60 1hss s GLN 13 Cb -0.01 -2.58 -0.01 0.00 -1.09 0.00 0.00 33.01 29.32 1hss s GLN 13 CO -0.02 -0.62 -0.22 0.08 -1.32 0.00 0.00 175.29 173.19 1hss s VAL 14 N -1.35 1.77 0.26 3.63 1.01 -1.26 -3.24 120.40 121.22 1hss s VAL 14 Ca 0.61 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1hss s VAL 14 Cb -0.36 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 1hss s VAL 14 CO 0.44 0.50 1.47 -2.16 0.00 0.00 0.00 175.10 175.36 1hss s PRO 15 N -0.29 4.24 0.28 2.72 0.04 -1.26 -4.97 135.00 135.75 1hss s PRO 15 Ca 0.02 2.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1hss s PRO 15 Cb -0.11 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 1hss s PRO 15 CO 0.01 -0.46 1.17 0.00 0.04 0.00 0.00 177.00 177.76 1hss s ALA 16 N -0.01 3.44 -1.04 8.56 0.00 -1.20 -4.32 121.76 127.20 1hss s ALA 16 Ca 0.60 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 1hss s ALA 16 Cb -0.43 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1hss s ALA 16 CO 0.44 -0.33 0.74 1.28 0.00 0.00 0.00 175.76 177.89 1hss n LEU 17 N 1.34 -2.87 0.11 0.00 4.77 -1.26 -4.64 117.00 114.45 1hss n LEU 17 Ca 0.00 -0.92 0.07 0.00 -0.03 0.00 0.00 56.01 55.13 1hss n LEU 17 Cb 0.44 -2.27 0.53 0.00 -2.33 0.00 0.00 43.42 39.79 1hss n LEU 17 CO 0.56 0.29 1.12 -0.65 -1.33 0.00 0.00 177.39 177.38 1hss h PRO 18 N -1.38 0.27 0.00 3.23 0.11 -1.96 -1.20 132.00 131.08 1hss h PRO 18 Ca -0.58 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1hss h PRO 18 Cb 1.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1hss h PRO 18 CO 0.44 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1hss h ALA 19 N 1.86 1.00 0.00 -0.75 0.00 -1.88 -3.12 119.26 116.36 1hss h ALA 19 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1hss h ALA 19 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1hss h ALA 19 CO -0.02 0.00 -0.79 0.00 0.00 0.00 0.00 179.25 178.44 1hss h ARG 21 N 0.00 0.88 -0.05 0.00 2.47 -1.47 -1.32 114.38 114.89 1hss h ARG 21 Ca 0.00 -0.32 -0.08 0.00 -1.26 0.00 0.00 59.98 58.33 1hss h ARG 21 Cb 0.80 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1hss h ARG 21 CO 0.00 0.96 -0.33 -1.00 0.56 0.00 0.00 179.97 180.16 1hss h PRO 22 N 0.73 0.10 0.24 0.04 0.13 -1.74 -2.46 132.00 129.04 1hss h PRO 22 Ca 0.13 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1hss h PRO 22 Cb 0.60 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1hss h PRO 22 CO 0.04 0.42 -0.11 1.25 -0.23 0.00 0.00 178.00 179.36 1hss h LEU 23 N 0.08 -0.27 -1.07 1.56 5.85 -1.63 -2.49 115.31 117.34 1hss h LEU 23 Ca 0.01 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1hss h LEU 23 Cb 0.63 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1hss h LEU 23 CO 0.05 -0.06 0.63 0.25 -0.34 0.00 0.00 178.44 178.97 1hss h LEU 24 N -0.48 0.98 -0.76 2.25 5.85 -1.16 -0.93 115.31 121.07 1hss h LEU 24 Ca -0.03 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1hss h LEU 24 Cb 0.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1hss h LEU 24 CO 0.05 0.63 0.06 0.03 -0.34 0.00 0.00 178.44 178.87 1hss h ARG 25 N 1.12 1.00 -0.28 1.25 3.08 -1.44 -0.71 114.38 118.40 1hss h ARG 25 Ca 0.42 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1hss h ARG 25 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1hss h ARG 25 CO -0.16 0.95 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.58 1hss h LEU 26 N 0.93 0.51 -0.78 3.04 3.38 -1.19 -3.33 115.31 117.86 1hss h LEU 26 Ca 0.18 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1hss h LEU 26 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1hss h LEU 26 CO 0.02 0.72 -0.35 1.56 0.09 0.00 0.00 178.44 180.48 1hss h GLN 27 N 0.28 0.51 0.00 1.13 4.20 -1.05 -1.33 115.11 118.84 1hss h GLN 27 Ca 0.07 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1hss h GLN 27 Cb 0.48 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1hss h GLN 27 CO 0.02 0.79 0.00 0.00 -0.67 0.00 0.00 178.83 178.97 1hss n ASN 29 N -1.52 1.85 -0.52 0.00 2.04 -1.22 -4.59 115.26 111.29 1hss n ASN 29 Ca 0.04 -3.17 -0.07 0.00 -0.44 0.00 0.00 54.58 50.95 1hss n ASN 29 Cb 0.20 -0.43 -0.03 0.00 -2.53 0.00 0.00 39.78 36.99 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 -1.10 0.90 3.74 4.83 0.00 -0.68 -5.00 105.19 107.89 1hss n GLY 30 Ca 0.15 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.85 4.00 0.10 1.61 0.01 -0.51 -4.98 113.70 111.07 1hss s SER 31 Ca 0.00 1.69 -0.31 0.00 1.31 0.00 0.00 55.95 58.65 1hss s SER 31 Cb 0.00 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1hss s SER 31 CO 0.00 -2.34 1.23 -1.58 0.41 0.00 0.00 173.24 170.96 1hss s GLN 32 N -4.90 4.43 -0.25 12.44 0.74 -1.26 -4.65 119.66 126.21 1hss s GLN 32 Ca 0.62 1.85 -0.08 0.00 0.05 0.00 0.00 55.36 57.81 1hss s GLN 32 Cb -0.18 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 1hss s GLN 32 CO 0.57 -0.24 0.08 0.14 -0.55 0.00 0.00 175.29 175.28 1hss s VAL 33 N 0.79 4.42 0.48 1.34 -7.23 -1.26 -5.00 120.40 113.93 1hss s VAL 33 Ca 0.58 -0.14 -0.23 0.00 -1.81 0.00 0.00 61.98 60.39 1hss s VAL 33 Cb -0.32 -3.06 -0.09 0.00 0.56 0.00 0.00 36.38 33.48 1hss s VAL 33 CO 0.31 0.34 1.05 -2.65 -0.31 0.00 0.00 175.10 173.84 1hss n PRO 34 N 4.84 1.33 0.23 4.82 -0.02 -1.26 -4.90 135.00 140.05 1hss n PRO 34 Ca -0.16 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1hss n PRO 34 Cb 0.52 -2.15 0.56 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.33 0.00 -0.76 -0.52 4.39 -2.00 -2.68 114.58 114.34 1hss h GLU 35 Ca -0.46 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1hss h GLU 35 Cb 1.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 1hss h GLU 35 CO 0.56 0.15 0.33 0.00 -1.16 0.00 0.00 179.01 178.88 1hss h ALA 36 N 1.85 0.98 0.07 3.43 0.00 -1.99 0.53 119.26 124.14 1hss h ALA 36 Ca -0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1hss h ALA 36 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hss h ALA 36 CO 0.02 0.59 -1.09 -0.39 0.00 0.00 0.00 179.25 178.38 1hss h VAL 37 N 1.09 1.52 -0.34 0.00 -1.51 -1.86 -2.47 116.25 112.67 1hss h VAL 37 Ca 0.26 -2.94 0.01 0.00 -1.23 0.00 0.00 66.70 62.80 1hss h VAL 37 Cb 0.18 2.76 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 1hss h VAL 37 CO -0.03 0.86 0.21 0.25 -1.23 0.00 0.00 177.57 177.63 1hss h LEU 38 N 0.09 0.34 -0.93 4.19 5.85 -1.41 -2.47 115.31 120.98 1hss h LEU 38 Ca -0.09 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1hss h LEU 38 Cb 1.79 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 1hss h LEU 38 CO 0.17 0.25 0.61 -0.09 -0.34 0.00 0.00 178.44 179.04 1hss h ARG 39 N 0.42 1.18 0.04 1.25 1.12 -0.84 -1.43 114.38 116.12 1hss h ARG 39 Ca 0.13 -0.07 -0.23 0.00 -1.11 0.00 0.00 59.98 58.70 1hss h ARG 39 Cb -0.02 -0.27 -0.00 0.00 -0.01 0.00 0.00 29.97 29.68 1hss h ARG 39 CO -0.05 0.78 -1.02 -0.44 -3.11 0.00 0.00 179.97 176.13 1hss h ASP 40 N 1.21 0.42 -0.20 -3.80 3.32 -1.33 -1.61 116.42 114.42 1hss h ASP 40 Ca 0.35 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1hss h ASP 40 Cb -0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1hss h ASP 40 CO -0.10 1.21 0.04 0.00 -1.72 0.00 0.00 179.24 178.68 1hss h GLN 43 N 1.01 0.13 -0.38 0.00 5.75 -1.32 0.25 115.11 120.55 1hss h GLN 43 Ca 0.21 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1hss h GLN 43 Cb 0.38 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1hss h GLN 43 CO 0.00 0.08 0.19 1.96 -2.65 0.00 0.00 178.83 178.42 1hss h GLN 44 N 0.13 0.54 -0.69 1.69 4.20 -1.10 -2.92 115.11 116.96 1hss h GLN 44 Ca 0.20 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1hss h GLN 44 Cb 0.27 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1hss h GLN 44 CO -0.31 0.47 0.45 -0.07 -0.67 0.00 0.00 178.83 178.69 1hss h LEU 45 N 0.48 0.76 -1.93 1.46 3.38 -1.09 -3.05 115.31 115.32 1hss h LEU 45 Ca 0.13 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1hss h LEU 45 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1hss h LEU 45 CO -0.02 0.54 0.30 0.00 0.09 0.00 0.00 178.44 179.36 1hss h ALA 46 N 1.27 2.30 0.00 1.53 0.00 -0.32 -2.05 119.26 121.99 1hss h ALA 46 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1hss h ALA 46 Cb -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1hss h ALA 46 CO -0.07 -0.42 -0.16 0.45 0.00 0.00 0.00 179.25 179.04 1hss h HIS 47 N 0.08 0.00 -3.72 0.00 3.86 -1.41 -3.44 115.15 110.51 1hss h HIS 47 Ca 0.20 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.92 1hss h HIS 47 Cb 0.71 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 1hss h HIS 47 CO -0.00 0.16 0.19 0.42 0.86 0.00 0.00 177.93 179.56 1hss s ILE 48 N -3.14 4.48 0.67 2.45 1.01 -0.77 -5.05 121.20 120.86 1hss s ILE 48 Ca 0.06 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 61.93 1hss s ILE 48 Cb 0.06 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1hss s ILE 48 CO 0.69 0.07 1.16 -0.94 0.00 0.00 0.00 174.94 175.92 1hss s SER 49 N -1.80 4.80 0.47 3.58 1.04 -1.26 -4.77 113.70 115.76 1hss s SER 49 Ca 0.49 2.19 0.27 0.00 0.48 0.00 0.00 55.95 59.37 1hss s SER 49 Cb -0.15 -2.57 1.32 0.00 0.10 0.00 0.00 66.02 64.71 1hss s SER 49 CO 0.20 -1.85 1.81 -0.33 0.98 0.00 0.00 173.24 174.06 1hss h GLU 50 N 0.07 0.19 0.00 4.02 5.08 -1.94 0.47 114.58 122.47 1hss h GLU 50 Ca -0.48 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1hss h GLU 50 Cb 1.27 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1hss h GLU 50 CO 0.53 0.12 -0.46 -1.49 -1.00 0.00 0.00 179.01 176.71 1hss h TRP 51 N 0.19 0.00 -0.01 4.33 4.06 -1.90 -0.89 115.95 121.74 1hss h TRP 51 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 1hss h TRP 51 Cb 1.77 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.93 1hss h TRP 51 CO -0.00 0.46 -0.03 0.00 -3.56 0.00 0.00 178.44 175.31 1hss h ARG 53 N 0.79 0.68 -0.19 0.00 -0.00 -1.36 -0.26 114.38 114.04 1hss h ARG 53 Ca 0.00 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.98 59.33 1hss h ARG 53 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 1hss h ARG 53 CO 0.00 0.45 -0.35 0.00 0.00 0.00 0.00 179.97 180.07 1hss h GLY 55 N 1.10 1.28 1.05 0.00 0.00 -1.69 -1.62 103.07 103.19 1hss h GLY 55 Ca 0.04 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1hss h GLY 55 CO 0.06 0.65 0.30 0.00 0.00 0.00 0.00 176.54 177.55 1hss h ALA 56 N 1.19 1.03 -0.32 3.60 0.00 -0.67 -2.31 119.26 121.78 1hss h ALA 56 Ca 0.27 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1hss h ALA 56 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1hss h ALA 56 CO -0.02 0.67 -0.38 -0.07 0.00 0.00 0.00 179.25 179.45 1hss h LEU 57 N 1.16 0.80 -0.00 0.00 3.38 -1.34 -1.39 115.31 117.92 1hss h LEU 57 Ca 0.26 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1hss h LEU 57 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1hss h LEU 57 CO -0.02 1.09 0.00 0.22 0.09 0.00 0.00 178.44 179.82 1hss h TYR 58 N 0.62 0.01 -0.35 1.13 5.03 -1.27 -0.99 116.97 121.15 1hss h TYR 58 Ca 0.06 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.41 1hss h TYR 58 Cb 0.92 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.16 1hss h TYR 58 CO 0.05 0.11 0.10 1.03 -1.32 0.00 0.00 178.16 178.13 1hss h SER 59 N -0.10 0.09 -0.24 -2.11 0.87 -1.37 0.12 113.55 110.80 1hss h SER 59 Ca 0.00 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1hss h SER 59 Cb 0.11 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1hss h SER 59 CO -0.00 0.09 0.07 -0.03 -0.53 0.00 0.00 176.83 176.43 1hss h MET 60 N 0.24 0.17 -0.53 2.24 1.85 -1.18 -0.80 114.93 116.92 1hss h MET 60 Ca 0.16 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.20 1hss h MET 60 Cb 0.15 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 1hss h MET 60 CO -0.18 0.11 0.16 1.25 -0.40 0.00 0.00 176.91 177.86 1hss h LEU 61 N 0.18 0.77 -0.48 3.39 5.85 -0.75 -1.71 115.31 122.56 1hss h LEU 61 Ca 0.11 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1hss h LEU 61 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1hss h LEU 61 CO -0.12 0.77 0.30 -0.78 -0.34 0.00 0.00 178.44 178.28 1hss h ASP 62 N 0.73 0.56 -0.67 1.25 3.58 -0.94 -2.05 116.42 118.87 1hss h ASP 62 Ca 0.17 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1hss h ASP 62 Cb 0.28 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1hss h ASP 62 CO -0.00 0.43 0.43 0.28 -2.88 0.00 0.00 179.24 177.50 1hss h SER 63 N 0.64 0.78 -0.68 2.28 0.02 -0.81 -0.20 113.55 115.59 1hss h SER 63 Ca 0.17 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1hss h SER 63 Cb -0.04 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1hss h SER 63 CO -0.04 0.58 0.36 0.24 -1.14 0.00 0.00 176.83 176.83 1hss h MET 64 N 0.91 0.95 -0.24 3.45 2.86 -1.20 -0.72 114.93 120.93 1hss h MET 64 Ca 0.24 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1hss h MET 64 Cb -0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1hss h MET 64 CO -0.05 0.72 -0.37 1.88 1.06 0.00 0.00 176.91 180.15 1hss h TYR 65 N 0.93 0.63 0.00 -0.22 0.05 -1.14 -0.24 116.97 116.98 1hss h TYR 65 Ca 0.24 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1hss h TYR 65 Cb 0.06 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1hss h TYR 65 CO -0.00 0.84 -0.31 1.63 -1.05 0.00 0.00 178.16 179.26 1hss n LYS 66 N -4.05 0.16 -0.07 4.88 4.01 -0.11 -3.61 118.16 119.39 1hss n LYS 66 Ca -0.01 0.08 -0.22 0.00 -0.51 0.00 0.00 58.31 57.65 1hss n LYS 66 Cb 0.49 -1.64 -0.12 0.00 -0.51 0.00 0.00 35.03 33.25 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 -1.90 0.64 -0.19 1.97 4.07 -0.29 -5.05 120.64 119.89 1hss n GLU 67 Ca 0.05 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 1hss n GLU 67 Cb 0.40 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 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 -4.04 0.00 -0.78 4.31 1.44 -0.10 -5.03 115.22 111.01 1hss n HIS 68 Ca -0.35 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.06 1hss n HIS 68 Cb 0.84 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.11 1hss n HIS 68 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1hss s GLY 78 N -1.39 1.67 0.46 -1.39 0.00 -1.26 -4.98 107.32 100.44 1hss s GLY 78 Ca 0.00 0.47 0.25 0.00 0.00 0.00 0.00 44.72 45.44 1hss s GLY 78 CO 0.00 0.91 1.90 0.00 0.00 0.00 0.00 173.10 175.91 1hss h ALA 79 N -1.82 1.10 -3.11 3.20 0.00 -1.92 -3.39 119.26 113.31 1hss h ALA 79 Ca -0.45 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 53.68 1hss h ALA 79 Cb 1.27 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 1hss h ALA 79 CO 0.44 0.25 -0.74 -0.06 0.00 0.00 0.00 179.25 179.14 1hss s PHE 80 N -3.81 2.01 -0.09 0.00 0.08 -1.26 -5.03 117.98 109.87 1hss s PHE 80 Ca -0.01 -2.18 -0.30 0.00 0.12 0.00 0.00 56.93 54.57 1hss s PHE 80 Cb 0.11 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1hss s PHE 80 CO 0.62 -0.84 1.23 -2.14 -0.10 0.00 0.00 175.22 173.99 1hss s PRO 81 N 0.93 4.31 -0.57 0.24 0.02 -1.26 -2.82 135.00 135.85 1hss s PRO 81 Ca 0.14 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1hss s PRO 81 Cb -0.21 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.68 1hss s PRO 81 CO -0.11 -0.54 0.00 0.54 -0.33 0.00 0.00 177.00 176.56 1hss n ARG 82 N 5.70 -0.46 -5.05 5.54 1.74 -1.26 -4.90 116.66 117.97 1hss n ARG 82 Ca 0.12 0.64 -0.31 0.00 -0.77 0.00 0.00 57.85 57.53 1hss n ARG 82 Cb 0.46 -4.36 -0.15 0.00 -1.02 0.00 0.00 32.46 27.38 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 -0.98 4.65 0.28 0.00 0.52 -1.26 -4.94 118.95 117.23 1hss s ARG 84 Ca 0.11 1.30 -0.02 0.00 -0.52 0.00 0.00 55.73 56.61 1hss s ARG 84 Cb -0.10 -3.34 0.62 0.00 0.52 0.00 0.00 34.95 32.65 1hss s ARG 84 CO 0.01 0.35 1.60 -0.09 0.02 0.00 0.00 175.30 177.19 1hss h ARG 85 N 5.12 0.07 -0.34 3.54 1.12 -1.99 0.04 114.38 121.93 1hss h ARG 85 Ca -0.44 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.38 1hss h ARG 85 Cb 1.21 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 1hss h ARG 85 CO 0.70 0.04 0.06 0.93 -3.11 0.00 0.00 179.97 178.59 1hss h GLU 86 N 0.07 0.57 0.00 0.20 3.07 -2.01 -2.60 114.58 113.88 1hss h GLU 86 Ca 0.52 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.36 59.11 1hss h GLU 86 Cb 1.01 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 1hss h GLU 86 CO -0.80 0.65 -0.55 -0.39 -1.40 0.00 0.00 179.01 176.51 1hss h VAL 87 N 0.40 1.11 -0.44 3.13 -1.51 -1.53 -2.67 116.25 114.75 1hss h VAL 87 Ca 0.10 -2.10 -0.02 0.00 -1.23 0.00 0.00 66.70 63.45 1hss h VAL 87 Cb 0.35 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.73 1hss h VAL 87 CO 0.01 0.54 0.20 0.58 -1.23 0.00 0.00 177.57 177.66 1hss h VAL 88 N 0.00 1.19 0.00 7.19 2.07 -0.78 0.77 116.25 126.69 1hss h VAL 88 Ca -0.01 -0.56 -0.16 0.00 0.82 0.00 0.00 66.70 66.80 1hss h VAL 88 Cb 1.19 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1hss h VAL 88 CO 0.07 0.21 -0.74 0.07 0.02 0.00 0.00 177.57 177.20 1hss h LYS 89 N 0.57 0.00 -0.68 1.57 2.10 -1.47 -1.24 116.57 117.41 1hss h LYS 89 Ca 0.15 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.73 1hss h LYS 89 Cb 0.15 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 1hss h LYS 89 CO -0.02 0.74 0.14 1.25 -2.00 0.00 0.00 179.45 179.57 1hss h LEU 90 N 0.00 1.06 -0.24 7.07 5.85 -1.30 -1.62 115.31 126.13 1hss h LEU 90 Ca -0.01 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1hss h LEU 90 Cb 1.51 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1hss h LEU 90 CO 0.10 1.03 -0.11 0.74 -0.34 0.00 0.00 178.44 179.86 1hss h THR 91 N 1.04 1.30 -0.33 1.05 2.02 -0.60 -3.11 112.91 114.28 1hss h THR 91 Ca 0.21 -1.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1hss h THR 91 Cb 0.41 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1hss h THR 91 CO 0.01 0.36 0.04 0.00 0.37 0.00 0.00 175.52 176.30 1hss h ALA 92 N 0.73 1.47 0.00 6.16 0.00 -1.17 -2.43 119.26 124.01 1hss h ALA 92 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1hss h ALA 92 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1hss h ALA 92 CO 0.03 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1hss h ALA 93 N 1.58 1.00 0.00 0.00 0.00 -1.23 -3.11 119.26 117.49 1hss h ALA 93 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1hss h ALA 93 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1hss h ALA 93 CO 0.00 0.00 -0.04 -1.13 0.00 0.00 0.00 179.25 178.08 1hss n SER 94 N -2.78 1.88 0.25 0.00 3.41 -0.93 -0.77 113.62 114.68 1hss n SER 94 Ca 0.00 -2.47 0.09 0.00 -0.26 0.00 0.00 58.87 56.24 1hss n SER 94 Cb 0.21 -0.22 0.65 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.76 0.84 0.02 -1.33 2.04 -1.45 -0.93 117.51 117.47 1hss h ILE 95 Ca 0.00 -0.44 -0.21 0.00 1.00 0.00 0.00 64.86 65.21 1hss h ILE 95 Cb 0.85 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1hss h ILE 95 CO 0.00 0.12 -0.95 0.00 0.00 0.00 0.00 178.15 177.32 1hss h THR 96 N 0.00 1.55 -0.13 -0.27 1.03 -1.82 -0.84 112.91 112.42 1hss h THR 96 Ca -0.00 -2.85 -0.03 0.00 -0.01 0.00 0.00 66.41 63.51 1hss h THR 96 Cb 0.25 2.61 -0.00 0.00 -1.07 0.00 0.00 68.15 69.93 1hss h THR 96 CO 0.02 0.83 -0.05 0.00 -0.01 0.00 0.00 175.52 176.30 1hss h ALA 97 N 0.94 0.19 0.00 0.00 0.00 0.14 -0.68 119.26 119.85 1hss h ALA 97 Ca -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1hss h ALA 97 Cb 1.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1hss h ALA 97 CO 0.14 -0.05 -0.16 -0.39 0.00 0.00 0.00 179.25 178.80 1hss h VAL 98 N -0.06 0.75 -0.00 0.00 -1.51 -0.97 -0.66 116.25 113.79 1hss h VAL 98 Ca 0.03 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1hss h VAL 98 Cb 0.49 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1hss h VAL 98 CO 0.02 0.15 -0.04 0.00 -1.23 0.00 0.00 177.57 176.47 1hss n ARG 100 N -1.10 -5.15 -3.91 0.00 5.12 -0.26 -5.00 116.66 106.36 1hss n ARG 100 Ca 0.16 0.58 -0.35 0.00 -1.93 0.00 0.00 57.85 56.31 1hss n ARG 100 Cb 0.24 -5.33 -0.14 0.00 -1.16 0.00 0.00 32.46 26.06 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 3.32 0.53 0.55 1.02 -0.33 -5.03 118.68 111.65 1hss s LEU 101 Ca 0.45 -0.82 -0.19 0.00 0.02 0.00 0.00 54.13 53.58 1hss s LEU 101 Cb -0.22 -1.71 -0.06 0.00 0.02 0.00 0.00 46.19 44.21 1hss s LEU 101 CO 0.83 -0.14 1.10 -2.16 0.02 0.00 0.00 176.35 176.00 1hss s PRO 102 N 1.37 3.48 0.25 1.29 0.04 -1.26 -4.41 135.00 135.76 1hss s PRO 102 Ca 0.01 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.67 1hss s PRO 102 Cb -0.17 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1hss s PRO 102 CO -0.03 -0.72 -0.20 0.96 0.04 0.00 0.00 177.00 177.05 1hss s ILE 103 N -1.87 2.29 -0.24 0.56 -5.25 0.77 -4.60 121.20 112.86 1hss s ILE 103 Ca 0.71 -2.28 -0.10 0.00 -0.99 0.00 0.00 60.65 57.99 1hss s ILE 103 Cb -0.21 -2.20 -0.05 0.00 2.95 0.00 0.00 42.46 42.95 1hss s ILE 103 CO 0.25 -0.38 0.15 0.68 -1.79 0.00 0.00 174.94 173.85 1hss s VAL 104 N -2.41 5.19 0.11 8.37 -7.23 -0.34 -1.33 120.40 122.75 1hss s VAL 104 Ca 0.26 0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.38 1hss s VAL 104 Cb -0.05 -3.42 -0.05 0.00 0.56 0.00 0.00 36.38 33.42 1hss s VAL 104 CO 0.12 0.34 1.61 0.58 -0.31 0.00 0.00 175.10 177.45 1hss h VAL 105 N 5.11 1.21 -0.77 1.32 2.07 -0.32 -3.45 116.25 121.42 1hss h VAL 105 Ca -0.37 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1hss h VAL 105 Cb 1.17 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1hss h VAL 105 CO 0.64 0.23 0.00 -0.90 0.02 0.00 0.00 177.57 177.55 1hss n ASP 106 N -4.68 0.00 0.29 0.57 5.68 -1.26 -5.04 116.55 112.11 1hss n ASP 106 Ca -0.02 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.45 1hss n ASP 106 Cb 0.17 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 41.14 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 1.42 -0.39 2.12 0.00 -1.95 0.15 119.26 122.61 1hss h ALA 107 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 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 -0.08 0.26 0.66 0.00 0.00 0.00 179.25 180.08 1hss h SER 108 N 0.00 0.40 0.00 0.00 4.64 -2.00 -3.46 113.55 113.13 1hss h SER 108 Ca 0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hss h SER 108 Cb 0.15 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1hss h SER 108 CO -0.00 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1hss n GLY 109 N -1.49 0.74 3.66 -0.77 0.00 0.54 -5.04 105.19 102.83 1hss n GLY 109 Ca 0.03 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 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 2.85 -4.93 1.61 8.00 -1.26 -4.82 116.55 118.01 1hss n ASP 110 Ca 0.00 1.06 -0.25 0.00 0.71 0.00 0.00 54.79 56.30 1hss n ASP 110 Cb 0.00 -1.34 -0.01 0.00 -0.02 0.00 0.00 41.12 39.75 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 2.01 1.43 0.30 0.44 0.00 -1.26 0.44 107.32 110.68 1hss s GLY 111 Ca 0.86 -0.74 -0.18 0.00 0.00 0.00 0.00 44.72 44.65 1hss s GLY 111 CO 0.46 -0.64 0.88 0.00 0.00 0.00 0.00 173.10 173.80 1hss s ALA 112 N -2.45 -1.09 -0.30 3.20 0.00 -0.44 -4.78 121.76 115.89 1hss s ALA 112 Ca 0.43 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1hss s ALA 112 Cb -0.10 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.82 1hss s ALA 112 CO 0.39 -1.02 1.04 0.66 0.00 0.00 0.00 175.76 176.83 1hss n TYR 113 N -0.59 0.13 -3.80 0.00 4.01 -1.26 -0.16 117.16 115.50 1hss n TYR 113 Ca -0.06 -0.46 -0.13 0.00 -0.16 0.00 0.00 57.90 57.09 1hss n TYR 113 Cb 0.60 -0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.94 -0.01 -0.61 -0.72 0.11 -1.26 -1.17 120.40 115.79 1hss s VAL 114 Ca 0.07 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 1hss s VAL 114 Cb 0.04 -0.24 0.16 0.00 -1.53 0.00 0.00 36.38 34.80 1hss s VAL 114 CO 0.05 0.02 0.52 0.00 -3.33 0.00 0.00 175.10 172.36 1hss h LYS 116 N 8.23 0.00 -0.53 0.00 2.10 -1.98 -1.61 116.57 122.79 1hss h LYS 116 Ca -0.13 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.46 1hss h LYS 116 Cb 1.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1hss h LYS 116 CO 0.87 0.36 0.05 0.38 -2.00 0.00 0.00 179.45 179.11 1hss h ASP 117 N 0.00 0.81 0.04 7.07 2.03 -1.92 -2.54 116.42 121.91 1hss h ASP 117 Ca -0.00 -0.18 -0.19 0.00 -0.73 0.00 0.00 57.03 55.93 1hss h ASP 117 Cb 0.73 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1hss h ASP 117 CO 0.05 0.84 -0.67 0.58 -1.03 0.00 0.00 179.24 179.01 1hss h VAL 118 N 0.80 1.33 0.00 4.15 2.07 -1.63 -2.78 116.25 120.18 1hss h VAL 118 Ca 0.16 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 1hss h VAL 118 Cb 0.41 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1hss h VAL 118 CO 0.01 0.60 -0.08 0.00 0.02 0.00 0.00 177.57 178.13 1hss h ALA 119 N 0.84 1.18 -0.43 1.67 0.00 -1.23 -2.83 119.26 118.46 1hss h ALA 119 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hss h ALA 119 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hss h ALA 119 CO 0.13 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1hss n ALA 120 N -2.21 2.41 -1.53 0.00 0.00 -0.97 -4.72 120.51 113.47 1hss n ALA 120 Ca -0.02 -1.04 -0.48 0.00 0.00 0.00 0.00 53.44 51.91 1hss n ALA 120 Cb 0.23 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 1.50 0.83 -0.92 0.00 9.36 -1.07 -2.17 117.16 124.69 1hss n TYR 121 Ca 0.20 0.78 0.07 0.00 3.32 0.00 0.00 57.90 62.27 1hss n TYR 121 Cb 0.61 -2.18 0.39 0.00 -0.63 0.00 0.00 39.34 37.53 1hss n TYR 121 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1hss n PRO 122 N 1.26 4.71 0.00 2.98 -0.05 -1.26 -4.95 135.00 137.68 1hss n PRO 122 Ca 0.14 -3.14 0.00 0.00 -0.05 0.00 0.00 63.50 60.46 1hss n PRO 122 Cb 0.26 -2.23 0.00 0.00 -0.05 0.00 0.00 33.50 31.48 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 0.50 0.00 0.00 3.54 8.00 -0.92 -5.21 116.55 122.46 1hss n ASP 123 Ca 0.27 0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.97 1hss n ASP 123 Cb 1.17 -0.23 0.65 0.00 -0.02 0.00 0.00 41.12 42.69 1hss n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81