#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 1.89 3.32 -0.12 0.00 2.02 -1.26 -4.89 117.35 118.32 1hss s TYR 7 Ca 0.06 1.27 -0.39 0.00 -0.37 0.00 0.00 57.07 57.64 1hss s TYR 7 Cb -0.26 -3.15 -0.16 0.00 -0.40 0.00 0.00 41.96 37.99 1hss s TYR 7 CO 0.06 -0.44 1.56 -2.30 -1.57 0.00 0.00 175.55 172.86 1hss n PRO 8 N 6.14 1.13 0.00 -1.71 -0.02 -1.26 -0.45 135.00 138.84 1hss n PRO 8 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1hss n PRO 8 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 3.44 3.24 0.16 -1.23 0.00 -0.24 -4.81 105.19 105.74 1hss n GLY 9 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.71 0.00 0.22 1.61 10.64 -0.65 -4.69 117.38 122.80 1hss n GLN 10 Ca 0.00 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.24 1hss n GLN 10 Cb 0.00 -0.71 0.51 0.00 -0.86 0.00 0.00 30.24 29.18 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 1.29 -2.24 2.61 0.00 -1.07 -3.45 119.26 116.40 1hss h ALA 11 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1hss h ALA 11 Cb 0.54 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.10 1hss h ALA 11 CO 0.00 0.31 0.01 -0.59 0.00 0.00 0.00 179.25 178.99 1hss s PHE 12 N -4.11 -0.47 0.46 0.00 -0.71 -1.26 -4.72 117.98 107.19 1hss s PHE 12 Ca -0.02 0.75 -0.25 0.00 -1.04 0.00 0.00 56.93 56.37 1hss s PHE 12 Cb 0.13 0.29 -0.08 0.00 -1.21 0.00 0.00 43.02 42.16 1hss s PHE 12 CO 0.66 -0.54 1.39 1.14 -1.34 0.00 0.00 175.22 176.53 1hss s GLN 13 N -1.41 3.61 -0.02 1.99 -2.07 -1.26 -1.08 119.66 119.42 1hss s GLN 13 Ca -0.11 2.34 0.07 0.00 -1.82 0.00 0.00 55.36 55.84 1hss s GLN 13 Cb -0.02 -2.58 -0.02 0.00 -1.09 0.00 0.00 33.01 29.30 1hss s GLN 13 CO 0.06 -0.85 -0.24 0.08 -1.32 0.00 0.00 175.29 173.03 1hss s VAL 14 N -1.24 1.87 0.34 3.63 1.01 -1.26 -3.43 120.40 121.33 1hss s VAL 14 Ca 0.63 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1hss s VAL 14 Cb -0.42 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 1hss s VAL 14 CO 0.53 0.52 1.51 -2.16 0.00 0.00 0.00 175.10 175.51 1hss s PRO 15 N -0.57 4.13 0.26 2.72 0.04 -1.26 -4.99 135.00 135.33 1hss s PRO 15 Ca 0.09 2.55 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 1hss s PRO 15 Cb -0.09 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 1hss s PRO 15 CO -0.01 -0.54 1.13 0.00 0.04 0.00 0.00 177.00 177.62 1hss s ALA 16 N -0.72 3.42 -1.11 8.56 0.00 -1.22 -4.33 121.76 126.35 1hss s ALA 16 Ca 0.56 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 1hss s ALA 16 Cb -0.46 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.32 1hss s ALA 16 CO 0.57 -0.24 0.72 1.28 0.00 0.00 0.00 175.76 178.09 1hss n LEU 17 N 1.49 -1.79 -0.33 0.00 4.77 -1.26 -4.67 117.00 115.21 1hss n LEU 17 Ca 0.00 -1.09 0.12 0.00 -0.03 0.00 0.00 56.01 55.01 1hss n LEU 17 Cb 0.45 -2.00 0.34 0.00 -2.33 0.00 0.00 43.42 39.87 1hss n LEU 17 CO 0.55 0.54 1.21 -0.65 -1.33 0.00 0.00 177.39 177.71 1hss h PRO 18 N -1.89 0.74 0.00 3.23 0.11 -1.96 -0.69 132.00 131.55 1hss h PRO 18 Ca -0.65 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1hss h PRO 18 Cb 1.37 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hss h PRO 18 CO 0.47 0.49 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1hss h ALA 19 N 1.60 1.00 0.00 -0.75 0.00 -1.88 -3.00 119.26 116.23 1hss h ALA 19 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1hss h ALA 19 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1hss h ALA 19 CO -0.29 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.30 1hss h ARG 21 N 0.00 0.81 -0.13 0.00 3.08 -1.46 -1.04 114.38 115.65 1hss h ARG 21 Ca 0.00 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.55 1hss h ARG 21 Cb 0.74 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1hss h ARG 21 CO 0.00 1.02 -0.40 -1.00 -1.07 0.00 0.00 179.97 178.52 1hss h PRO 22 N 0.61 0.29 0.12 0.04 0.13 -1.74 -2.54 132.00 128.91 1hss h PRO 22 Ca 0.07 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1hss h PRO 22 Cb 0.82 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1hss h PRO 22 CO 0.07 0.65 -0.11 1.25 -0.23 0.00 0.00 178.00 179.62 1hss h LEU 23 N 0.24 -0.30 -1.25 1.56 5.85 -1.62 -2.50 115.31 117.29 1hss h LEU 23 Ca 0.02 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1hss h LEU 23 Cb 0.81 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1hss h LEU 23 CO 0.06 -0.18 0.53 0.25 -0.34 0.00 0.00 178.44 178.76 1hss h LEU 24 N -0.26 0.84 -0.86 2.25 5.85 -1.07 -0.32 115.31 121.75 1hss h LEU 24 Ca 0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1hss h LEU 24 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1hss h LEU 24 CO -0.03 0.58 -0.42 0.03 -0.34 0.00 0.00 178.44 178.26 1hss h ARG 25 N 0.97 0.32 -0.03 1.25 3.08 -1.37 -1.04 114.38 117.56 1hss h ARG 25 Ca 0.32 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1hss h ARG 25 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1hss h ARG 25 CO -0.09 0.69 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.31 1hss h LEU 26 N 0.26 0.15 -0.94 3.04 3.38 -1.10 -3.35 115.31 116.74 1hss h LEU 26 Ca 0.02 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1hss h LEU 26 Cb 0.86 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1hss h LEU 26 CO 0.07 0.75 0.32 1.56 0.09 0.00 0.00 178.44 181.23 1hss h GLN 27 N -0.44 1.08 0.00 1.13 4.20 -1.03 -1.47 115.11 118.58 1hss h GLN 27 Ca -0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1hss h GLN 27 Cb 0.74 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1hss h GLN 27 CO 0.02 0.86 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 1hss n ASN 29 N -1.69 2.21 -0.26 0.00 2.04 -1.21 -4.57 115.26 111.78 1hss n ASN 29 Ca 0.03 -2.90 -0.03 0.00 -0.44 0.00 0.00 54.58 51.24 1hss n ASN 29 Cb 0.18 -0.36 -0.01 0.00 -2.53 0.00 0.00 39.78 37.05 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 -1.26 0.59 3.74 4.83 0.00 -0.54 -5.02 105.19 107.54 1hss n GLY 30 Ca 0.13 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.95 3.78 0.14 1.61 0.01 -0.57 -4.99 113.70 110.73 1hss s SER 31 Ca 0.00 1.50 -0.30 0.00 1.31 0.00 0.00 55.95 58.46 1hss s SER 31 Cb 0.00 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 63.97 1hss s SER 31 CO 0.00 -2.45 1.12 -1.58 0.41 0.00 0.00 173.24 170.75 1hss s GLN 32 N -4.97 4.55 -0.23 12.44 0.74 -1.26 -4.61 119.66 126.32 1hss s GLN 32 Ca 0.63 1.72 -0.07 0.00 0.05 0.00 0.00 55.36 57.69 1hss s GLN 32 Cb -0.17 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1hss s GLN 32 CO 0.56 -0.01 0.06 0.14 -0.55 0.00 0.00 175.29 175.49 1hss s VAL 33 N 0.11 4.36 0.49 1.34 -7.23 -1.26 -4.99 120.40 113.22 1hss s VAL 33 Ca 0.52 -0.16 -0.24 0.00 -1.81 0.00 0.00 61.98 60.28 1hss s VAL 33 Cb -0.29 -3.01 -0.07 0.00 0.56 0.00 0.00 36.38 33.57 1hss s VAL 33 CO 0.33 0.38 1.38 -2.84 -0.31 0.00 0.00 175.10 174.04 1hss s PRO 34 N 1.26 3.48 0.45 4.82 0.02 -1.26 -4.91 135.00 138.87 1hss s PRO 34 Ca 0.05 2.29 0.12 0.00 0.02 0.00 0.00 61.00 63.48 1hss s PRO 34 Cb -0.15 -2.49 1.05 0.00 0.02 0.00 0.00 34.50 32.94 1hss s PRO 34 CO 0.03 -0.93 2.06 0.93 -0.33 0.00 0.00 177.00 178.76 1hss h GLU 35 N 1.98 0.32 -0.77 5.54 4.39 -2.00 -2.00 114.58 122.04 1hss h GLU 35 Ca -0.51 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.13 1hss h GLU 35 Cb 1.28 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 1hss h GLU 35 CO 0.60 0.21 0.31 0.00 -1.16 0.00 0.00 179.01 178.96 1hss h ALA 36 N 1.80 1.08 0.01 3.43 0.00 -1.99 0.71 119.26 124.30 1hss h ALA 36 Ca 0.14 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1hss h ALA 36 Cb 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1hss h ALA 36 CO -0.03 0.65 -1.03 -0.39 0.00 0.00 0.00 179.25 178.45 1hss h VAL 37 N 1.12 1.69 0.19 0.00 -1.51 -1.75 -2.26 116.25 113.73 1hss h VAL 37 Ca 0.26 -3.39 -0.01 0.00 -1.23 0.00 0.00 66.70 62.33 1hss h VAL 37 Cb 0.21 2.85 -0.00 0.00 -2.13 0.00 0.00 31.29 32.22 1hss h VAL 37 CO -0.02 0.96 -0.10 0.25 -1.23 0.00 0.00 177.57 177.43 1hss h LEU 38 N 0.01 -0.24 -0.72 4.19 5.85 -1.32 -2.56 115.31 120.52 1hss h LEU 38 Ca -0.02 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1hss h LEU 38 Cb 1.79 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.82 1hss h LEU 38 CO 0.13 -0.17 0.36 -0.09 -0.34 0.00 0.00 178.44 178.34 1hss h ARG 39 N -0.27 0.61 -0.04 1.25 1.12 -0.79 -0.99 114.38 115.27 1hss h ARG 39 Ca -0.02 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.63 1hss h ARG 39 Cb 0.22 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 1hss h ARG 39 CO 0.03 0.40 -0.75 -0.44 -3.11 0.00 0.00 179.97 176.10 1hss h ASP 40 N 0.62 0.31 -0.09 -3.80 3.32 -1.39 -0.59 116.42 114.80 1hss h ASP 40 Ca 0.35 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1hss h ASP 40 Cb 0.35 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1hss h ASP 40 CO -0.26 0.95 0.02 0.00 -1.72 0.00 0.00 179.24 178.23 1hss h GLN 43 N 1.15 0.13 -0.57 0.00 5.75 -1.09 0.27 115.11 120.75 1hss h GLN 43 Ca 0.26 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1hss h GLN 43 Cb 0.24 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1hss h GLN 43 CO -0.02 0.09 0.30 1.96 -2.65 0.00 0.00 178.83 178.51 1hss h GLN 44 N 0.14 0.80 -0.85 1.69 4.20 -1.05 -3.03 115.11 117.00 1hss h GLN 44 Ca 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1hss h GLN 44 Cb 0.29 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1hss h GLN 44 CO -0.32 0.62 0.41 -0.07 -0.67 0.00 0.00 178.83 178.80 1hss h LEU 45 N 0.77 1.12 -1.79 1.46 3.38 -0.90 -3.11 115.31 116.23 1hss h LEU 45 Ca 0.20 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1hss h LEU 45 Cb 0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1hss h LEU 45 CO -0.03 0.94 0.24 0.00 0.09 0.00 0.00 178.44 179.68 1hss h ALA 46 N 1.23 2.00 0.00 1.53 0.00 -0.35 -1.63 119.26 122.04 1hss h ALA 46 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1hss h ALA 46 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hss h ALA 46 CO -0.04 -0.06 -0.08 0.45 0.00 0.00 0.00 179.25 179.52 1hss h HIS 47 N 0.27 0.00 -3.61 0.00 3.86 -1.48 -3.44 115.15 110.75 1hss h HIS 47 Ca 0.16 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.85 1hss h HIS 47 Cb 0.28 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1hss h HIS 47 CO -0.00 0.08 0.15 0.42 0.86 0.00 0.00 177.93 179.45 1hss s ILE 48 N -3.31 4.49 0.74 2.45 1.01 -0.61 -5.04 121.20 120.92 1hss s ILE 48 Ca 0.05 1.42 -0.13 0.00 0.00 0.00 0.00 60.65 61.99 1hss s ILE 48 Cb 0.07 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1hss s ILE 48 CO 0.65 0.24 1.13 -0.94 0.00 0.00 0.00 174.94 176.02 1hss s SER 49 N -1.58 4.41 0.46 3.58 1.04 -1.26 -4.78 113.70 115.57 1hss s SER 49 Ca 0.43 2.07 0.25 0.00 0.48 0.00 0.00 55.95 59.18 1hss s SER 49 Cb -0.18 -2.56 1.27 0.00 0.10 0.00 0.00 66.02 64.66 1hss s SER 49 CO 0.22 -2.11 1.80 -0.33 0.98 0.00 0.00 173.24 173.80 1hss h GLU 50 N -0.62 0.23 0.00 4.02 5.08 -1.94 0.23 114.58 121.58 1hss h GLU 50 Ca -0.46 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1hss h GLU 50 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1hss h GLU 50 CO 0.50 0.15 -0.39 -1.49 -1.00 0.00 0.00 179.01 176.79 1hss h TRP 51 N 0.24 0.00 -0.01 4.33 4.06 -1.90 -1.12 115.95 121.55 1hss h TRP 51 Ca 0.56 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.51 1hss h TRP 51 Cb 1.72 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.88 1hss h TRP 51 CO -0.00 0.39 -0.00 0.00 -3.56 0.00 0.00 178.44 175.26 1hss h ARG 53 N 0.85 1.16 -0.14 0.00 -0.00 -1.49 0.39 114.38 115.15 1hss h ARG 53 Ca 0.00 -0.15 -0.13 0.00 -0.50 0.00 0.00 59.98 59.20 1hss h ARG 53 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 1hss h ARG 53 CO 0.00 0.87 -0.48 0.00 0.00 0.00 0.00 179.97 180.37 1hss h GLY 55 N 1.23 0.74 0.65 0.00 0.00 -1.73 -0.92 103.07 103.04 1hss h GLY 55 Ca 0.02 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 46.98 1hss h GLY 55 CO 0.08 0.41 0.48 0.00 0.00 0.00 0.00 176.54 177.51 1hss h ALA 56 N 0.99 1.12 -0.35 3.60 0.00 -0.83 -1.81 119.26 121.98 1hss h ALA 56 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1hss h ALA 56 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1hss h ALA 56 CO -0.00 0.17 -0.17 -0.07 0.00 0.00 0.00 179.25 179.17 1hss h LEU 57 N 0.85 0.75 -0.24 0.00 3.38 -1.37 -1.54 115.31 117.14 1hss h LEU 57 Ca 0.37 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1hss h LEU 57 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1hss h LEU 57 CO -0.20 1.00 0.06 0.22 0.09 0.00 0.00 178.44 179.60 1hss h TYR 58 N 0.51 0.10 -0.42 1.13 5.03 -1.04 -1.56 116.97 120.73 1hss h TYR 58 Ca 0.08 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.44 1hss h TYR 58 Cb 0.71 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.95 1hss h TYR 58 CO 0.06 0.03 0.17 1.03 -1.32 0.00 0.00 178.16 178.14 1hss h SER 59 N 0.15 0.22 0.06 -2.11 0.87 -1.27 -0.44 113.55 111.03 1hss h SER 59 Ca 0.11 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1hss h SER 59 Cb 0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1hss h SER 59 CO -0.14 0.16 -0.13 -0.03 -0.53 0.00 0.00 176.83 176.16 1hss h MET 60 N 0.36 -0.24 -0.51 2.24 1.85 -1.05 -1.42 114.93 116.15 1hss h MET 60 Ca 0.19 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.30 1hss h MET 60 Cb 0.14 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 1hss h MET 60 CO -0.17 -0.16 0.33 1.25 -0.40 0.00 0.00 176.91 177.76 1hss h LEU 61 N -0.25 0.60 -0.17 3.39 5.85 -1.08 -1.08 115.31 122.55 1hss h LEU 61 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1hss h LEU 61 Cb 0.28 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1hss h LEU 61 CO -0.09 0.45 0.11 -0.78 -0.34 0.00 0.00 178.44 177.80 1hss h ASP 62 N 0.69 0.19 -0.62 1.25 3.58 -1.07 -1.95 116.42 118.50 1hss h ASP 62 Ca 0.19 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.70 1hss h ASP 62 Cb -0.05 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 40.90 1hss h ASP 62 CO -0.04 0.14 0.31 0.28 -2.88 0.00 0.00 179.24 177.05 1hss h SER 63 N 0.23 0.42 -0.86 2.28 0.02 -1.01 0.88 113.55 115.51 1hss h SER 63 Ca 0.06 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1hss h SER 63 Cb -0.02 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1hss h SER 63 CO -0.02 0.27 0.53 0.24 -1.14 0.00 0.00 176.83 176.72 1hss h MET 64 N 0.57 1.16 -0.04 3.45 2.86 -1.03 -0.60 114.93 121.29 1hss h MET 64 Ca 0.29 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.66 1hss h MET 64 Cb 0.23 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1hss h MET 64 CO -0.21 0.80 -0.73 1.88 1.06 0.00 0.00 176.91 179.71 1hss h TYR 65 N 1.18 0.36 0.00 -0.22 0.05 -0.95 -0.70 116.97 116.68 1hss h TYR 65 Ca 0.31 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1hss h TYR 65 Cb -0.07 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1hss h TYR 65 CO -0.00 0.90 -0.25 0.87 -1.05 0.00 0.00 178.16 178.62 1hss h LYS 66 N 0.17 0.00 0.07 4.88 6.56 -0.63 -3.25 116.57 124.37 1hss h LYS 66 Ca -0.03 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.31 1hss h LYS 66 Cb 1.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.94 1hss h LYS 66 CO 0.12 0.00 -1.36 1.49 -2.06 0.00 0.00 179.45 177.64 1hss h GLU 67 N 0.00 0.16 -0.34 3.15 4.57 -1.12 -3.50 114.58 117.49 1hss h GLU 67 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1hss h GLU 67 Cb 0.92 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1hss h GLU 67 CO 0.00 1.13 0.00 -2.39 -1.18 0.00 0.00 179.01 176.57 1hss n HIS 68 N -4.06 0.00 -0.86 0.92 1.44 -0.27 -5.02 115.22 107.36 1hss n HIS 68 Ca -0.27 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.14 1hss n HIS 68 Cb 0.83 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.10 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 -1.23 1.65 0.48 -1.39 0.00 -1.26 -4.99 107.32 100.58 1hss s GLY 78 Ca 0.00 0.30 0.26 0.00 0.00 0.00 0.00 44.72 45.28 1hss s GLY 78 CO 0.00 0.76 1.92 0.00 0.00 0.00 0.00 173.10 175.78 1hss h ALA 79 N -1.81 1.09 -3.03 3.20 0.00 -1.92 -3.39 119.26 113.40 1hss h ALA 79 Ca -0.47 -0.16 -0.60 0.00 0.00 0.00 0.00 54.91 53.67 1hss h ALA 79 Cb 1.27 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 1hss h ALA 79 CO 0.47 0.22 -0.75 -0.06 0.00 0.00 0.00 179.25 179.13 1hss s PHE 80 N -3.81 1.90 -0.04 0.00 0.08 -1.26 -5.03 117.98 109.82 1hss s PHE 80 Ca -0.00 -2.23 -0.30 0.00 0.12 0.00 0.00 56.93 54.52 1hss s PHE 80 Cb 0.11 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1hss s PHE 80 CO 0.61 -0.81 1.48 -2.14 -0.10 0.00 0.00 175.22 174.25 1hss s PRO 81 N 0.73 4.23 -0.33 0.24 0.02 -1.26 -2.46 135.00 136.17 1hss s PRO 81 Ca 0.15 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1hss s PRO 81 Cb -0.22 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.55 1hss s PRO 81 CO -0.06 -0.70 0.00 0.54 -0.33 0.00 0.00 177.00 176.45 1hss n ARG 82 N 6.19 -0.47 -4.71 5.54 1.74 -1.26 -4.88 116.66 118.81 1hss n ARG 82 Ca 0.15 0.44 -0.32 0.00 -0.77 0.00 0.00 57.85 57.35 1hss n ARG 82 Cb 0.43 -4.04 -0.12 0.00 -1.02 0.00 0.00 32.46 27.71 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 -1.09 4.58 0.25 0.00 0.52 -1.26 -4.92 118.95 117.03 1hss s ARG 84 Ca 0.14 1.17 -0.08 0.00 -0.52 0.00 0.00 55.73 56.44 1hss s ARG 84 Cb -0.11 -3.30 0.42 0.00 0.52 0.00 0.00 34.95 32.48 1hss s ARG 84 CO 0.04 0.46 1.60 -0.09 0.02 0.00 0.00 175.30 177.33 1hss h ARG 85 N 4.79 0.03 -0.35 3.54 1.12 -1.99 0.07 114.38 121.58 1hss h ARG 85 Ca -0.46 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.39 1hss h ARG 85 Cb 1.21 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 31.14 1hss h ARG 85 CO 0.68 0.02 0.13 0.93 -3.11 0.00 0.00 179.97 178.62 1hss h GLU 86 N 0.03 0.53 -0.00 0.20 3.07 -2.01 -2.70 114.58 113.71 1hss h GLU 86 Ca 0.42 -0.10 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1hss h GLU 86 Cb 0.70 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1hss h GLU 86 CO -0.80 0.53 -0.76 -0.39 -1.40 0.00 0.00 179.01 176.20 1hss h VAL 87 N 0.42 1.54 -0.07 3.13 -1.51 -1.64 -2.41 116.25 115.71 1hss h VAL 87 Ca 0.12 -2.57 0.02 0.00 -1.23 0.00 0.00 66.70 63.03 1hss h VAL 87 Cb 0.21 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 1hss h VAL 87 CO -0.01 0.74 -0.06 0.58 -1.23 0.00 0.00 177.57 177.59 1hss h VAL 88 N 0.01 0.82 0.00 7.19 2.07 -0.83 0.31 116.25 125.81 1hss h VAL 88 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1hss h VAL 88 Cb 1.34 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1hss h VAL 88 CO 0.10 0.00 -0.33 0.07 0.02 0.00 0.00 177.57 177.43 1hss h LYS 89 N -0.08 0.00 -0.37 1.57 2.10 -1.45 -1.21 116.57 117.13 1hss h LYS 89 Ca 0.05 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.56 1hss h LYS 89 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1hss h LYS 89 CO -0.12 0.33 -0.31 1.25 -2.00 0.00 0.00 179.45 178.60 1hss h LEU 90 N 0.00 0.86 -0.17 7.07 5.85 -1.20 -2.11 115.31 125.61 1hss h LEU 90 Ca -0.00 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 1hss h LEU 90 Cb 1.25 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1hss h LEU 90 CO 0.04 1.10 -0.12 0.74 -0.34 0.00 0.00 178.44 179.86 1hss h THR 91 N 0.69 1.33 -0.85 1.05 2.02 -0.02 -3.14 112.91 113.98 1hss h THR 91 Ca 0.08 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.07 1hss h THR 91 Cb 0.86 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.98 1hss h THR 91 CO 0.08 0.37 0.56 0.00 0.37 0.00 0.00 175.52 176.89 1hss h ALA 92 N 0.65 1.49 0.00 6.16 0.00 -1.26 -1.77 119.26 124.53 1hss h ALA 92 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hss h ALA 92 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 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 1.51 1.00 0.00 0.00 0.00 -1.33 -3.08 119.26 117.35 1hss h ALA 93 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1hss h ALA 93 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hss h ALA 93 CO -0.11 0.00 -0.05 -1.13 0.00 0.00 0.00 179.25 177.96 1hss n SER 94 N -2.73 1.73 0.22 0.00 3.41 -0.69 -0.56 113.62 115.01 1hss n SER 94 Ca -0.01 -2.34 0.06 0.00 -0.26 0.00 0.00 58.87 56.32 1hss n SER 94 Cb 0.16 -0.19 0.50 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.03 1.10 -0.08 -1.33 2.04 -1.41 -0.93 117.51 117.92 1hss h ILE 95 Ca 0.00 -0.72 -0.17 0.00 1.00 0.00 0.00 64.86 64.97 1hss h ILE 95 Cb 0.84 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1hss h ILE 95 CO 0.00 0.20 -0.66 0.00 0.00 0.00 0.00 178.15 177.69 1hss h THR 96 N 0.00 1.38 -0.26 -0.27 1.03 -1.82 -0.80 112.91 112.17 1hss h THR 96 Ca -0.00 -2.06 -0.07 0.00 -0.01 0.00 0.00 66.41 64.27 1hss h THR 96 Cb 0.38 2.04 -0.01 0.00 -1.07 0.00 0.00 68.15 69.49 1hss h THR 96 CO 0.03 0.62 -0.13 0.00 -0.01 0.00 0.00 175.52 176.03 1hss h ALA 97 N 1.05 0.37 0.00 0.00 0.00 0.22 0.31 119.26 121.21 1hss h ALA 97 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1hss h ALA 97 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1hss h ALA 97 CO 0.11 0.24 -0.26 -0.39 0.00 0.00 0.00 179.25 178.95 1hss h VAL 98 N 0.28 1.00 0.00 0.00 -1.51 -0.91 -0.22 116.25 114.89 1hss h VAL 98 Ca 0.06 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1hss h VAL 98 Cb 0.63 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1hss h VAL 98 CO 0.04 0.25 0.00 0.00 -1.23 0.00 0.00 177.57 176.63 1hss n ARG 100 N -1.25 -5.58 -3.89 0.00 5.12 -0.09 -4.99 116.66 105.96 1hss n ARG 100 Ca 0.15 0.62 -0.35 0.00 -1.93 0.00 0.00 57.85 56.33 1hss n ARG 100 Cb 0.22 -5.45 -0.14 0.00 -1.16 0.00 0.00 32.46 25.92 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 -7.17 3.07 0.58 0.55 1.02 -0.00 -5.02 118.68 111.71 1hss s LEU 101 Ca 0.53 -0.51 -0.15 0.00 0.02 0.00 0.00 54.13 54.02 1hss s LEU 101 Cb -0.26 -1.75 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 1hss s LEU 101 CO 0.82 -0.06 1.03 -2.16 0.02 0.00 0.00 176.35 176.00 1hss s PRO 102 N 1.46 3.50 0.19 1.29 0.04 -1.26 -4.39 135.00 135.82 1hss s PRO 102 Ca 0.04 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1hss s PRO 102 Cb -0.15 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1hss s PRO 102 CO -0.03 -0.66 -0.14 0.96 0.04 0.00 0.00 177.00 177.18 1hss s ILE 103 N -2.61 1.64 -0.22 0.56 -5.25 -0.20 -4.62 121.20 110.50 1hss s ILE 103 Ca 0.61 -2.13 -0.08 0.00 -0.99 0.00 0.00 60.65 58.06 1hss s ILE 103 Cb -0.14 -1.96 -0.04 0.00 2.95 0.00 0.00 42.46 43.27 1hss s ILE 103 CO 0.38 -0.57 0.09 0.68 -1.79 0.00 0.00 174.94 173.73 1hss s VAL 104 N -2.86 4.80 0.18 8.37 -7.23 -0.42 -1.88 120.40 121.35 1hss s VAL 104 Ca 0.20 -0.02 -0.09 0.00 -1.81 0.00 0.00 61.98 60.26 1hss s VAL 104 Cb -0.01 -3.21 0.05 0.00 0.56 0.00 0.00 36.38 33.78 1hss s VAL 104 CO 0.06 0.39 1.62 0.58 -0.31 0.00 0.00 175.10 177.44 1hss h VAL 105 N 5.11 1.27 -0.55 1.32 2.07 0.33 -3.45 116.25 122.34 1hss h VAL 105 Ca -0.37 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1hss h VAL 105 Cb 1.17 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1hss h VAL 105 CO 0.65 0.44 0.00 -0.90 0.02 0.00 0.00 177.57 177.78 1hss n ASP 106 N -4.16 0.00 0.30 0.57 5.68 -1.26 -5.03 116.55 112.65 1hss n ASP 106 Ca 0.02 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.47 1hss n ASP 106 Cb 0.38 0.00 0.94 0.00 -1.14 0.00 0.00 41.12 41.30 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 1.49 -0.25 2.12 0.00 -1.95 0.17 119.26 122.84 1hss h ALA 107 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1hss h ALA 107 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hss h ALA 107 CO 0.00 -0.00 0.17 0.66 0.00 0.00 0.00 179.25 180.08 1hss h SER 108 N 0.00 0.11 0.00 0.00 4.64 -2.00 -3.45 113.55 112.84 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 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1hss h SER 108 CO -0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1hss n GLY 109 N -1.55 0.72 3.68 -0.77 0.00 0.59 -5.04 105.19 102.82 1hss n GLY 109 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 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 3.45 -4.93 1.61 8.00 -1.26 -4.84 116.55 118.58 1hss n ASP 110 Ca 0.00 1.01 -0.25 0.00 0.71 0.00 0.00 54.79 56.25 1hss n ASP 110 Cb 0.00 -1.42 -0.00 0.00 -0.02 0.00 0.00 41.12 39.67 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 2.84 1.44 0.22 0.44 0.00 -1.26 0.99 107.32 111.98 1hss s GLY 111 Ca 0.86 -0.73 -0.13 0.00 0.00 0.00 0.00 44.72 44.72 1hss s GLY 111 CO 0.44 -0.61 0.63 0.00 0.00 0.00 0.00 173.10 173.57 1hss n ALA 112 N -2.05 -1.53 -0.27 3.20 0.00 -0.79 -4.77 120.51 114.29 1hss n ALA 112 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 53.44 52.63 1hss n ALA 112 Cb 0.56 0.58 0.06 0.00 0.00 0.00 0.00 19.45 20.65 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 -0.44 0.12 -3.79 0.00 4.01 -1.26 -1.04 117.16 114.77 1hss n TYR 113 Ca -0.04 -0.61 -0.13 0.00 -0.16 0.00 0.00 57.90 56.96 1hss n TYR 113 Cb 0.42 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 39.25 1hss n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1hss s VAL 114 N -1.44 -0.00 -0.56 -0.72 1.01 -1.26 -0.89 120.40 116.53 1hss s VAL 114 Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 1hss s VAL 114 Cb 0.09 -0.33 0.14 0.00 0.00 0.00 0.00 36.38 36.28 1hss s VAL 114 CO 0.03 0.01 0.46 0.00 0.00 0.00 0.00 175.10 175.60 1hss h LYS 116 N 8.25 0.00 -0.56 0.00 2.10 -1.98 -1.88 116.57 122.51 1hss h LYS 116 Ca -0.15 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.43 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 0.86 0.33 0.06 0.38 -2.00 0.00 0.00 179.45 179.07 1hss h ASP 117 N 0.00 0.87 0.10 7.07 2.03 -1.93 -2.49 116.42 122.07 1hss h ASP 117 Ca -0.00 -0.20 -0.18 0.00 -0.73 0.00 0.00 57.03 55.92 1hss h ASP 117 Cb 0.64 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1hss h ASP 117 CO 0.04 0.90 -0.65 0.58 -1.03 0.00 0.00 179.24 179.09 1hss h VAL 118 N 0.86 1.34 0.00 4.15 2.07 -1.67 -2.79 116.25 120.20 1hss h VAL 118 Ca 0.17 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1hss h VAL 118 Cb 0.43 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1hss h VAL 118 CO 0.01 0.60 -0.06 0.00 0.02 0.00 0.00 177.57 178.15 1hss h ALA 119 N 0.91 1.12 -0.43 1.67 0.00 -1.23 -2.90 119.26 118.40 1hss h ALA 119 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hss h ALA 119 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hss h ALA 119 CO 0.12 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1hss n ALA 120 N -2.17 2.39 -1.52 0.00 0.00 -0.96 -4.74 120.51 113.50 1hss n ALA 120 Ca -0.01 -1.05 -0.48 0.00 0.00 0.00 0.00 53.44 51.89 1hss n ALA 120 Cb 0.22 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 1.37 0.71 -0.79 0.00 4.19 -1.10 -2.02 117.16 119.52 1hss n TYR 121 Ca 0.19 0.80 0.06 0.00 3.31 0.00 0.00 57.90 62.26 1hss n TYR 121 Cb 0.57 -2.16 0.38 0.00 0.49 0.00 0.00 39.34 38.62 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 1.17 4.68 0.00 2.98 -0.05 -1.26 -4.94 135.00 137.57 1hss n PRO 122 Ca 0.14 -2.98 0.00 0.00 -0.05 0.00 0.00 63.50 60.62 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 0.57 0.00 0.00 3.54 8.00 -0.86 -5.21 116.55 122.59 1hss n ASP 123 Ca 0.26 0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.93 1hss n ASP 123 Cb 1.15 -0.14 0.66 0.00 -0.02 0.00 0.00 41.12 42.78 1hss n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81