#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7a n GLU 6 N 0.00 0.69 -3.68 3.97 -0.58 0.12 -4.95 120.64 116.21 3d7a n GLU 6 Ca 0.00 0.25 -0.11 0.00 -0.42 0.00 0.00 57.16 56.88 3d7a n GLU 6 Cb 0.00 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.10 3d7a n GLU 6 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3d7a s GLU 7 N -2.57 0.99 -0.14 3.49 2.12 -0.89 -4.71 118.70 116.99 3d7a s GLU 7 Ca -0.14 -0.65 -0.00 0.00 0.36 0.00 0.00 54.97 54.54 3d7a s GLU 7 Cb 0.07 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.92 3d7a s GLU 7 CO 0.79 -0.36 -0.10 0.08 -0.54 0.00 0.00 175.26 175.12 3d7a s VAL 8 N -3.42 1.29 -0.11 3.70 1.01 -0.66 -1.28 120.40 120.94 3d7a s VAL 8 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3d7a s VAL 8 Cb 0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3d7a s VAL 8 CO -0.09 0.37 -0.02 -0.70 0.00 0.00 0.00 175.10 174.67 3d7a s GLU 9 N 1.59 3.23 -0.08 2.72 2.12 0.40 -2.10 118.70 126.58 3d7a s GLU 9 Ca 0.04 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.94 3d7a s GLU 9 Cb -0.13 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.44 3d7a s GLU 9 CO -0.09 0.53 -0.14 0.08 -0.54 0.00 0.00 175.26 175.10 3d7a s VAL 10 N -0.41 1.35 0.02 3.70 1.01 -0.31 0.11 120.40 125.86 3d7a s VAL 10 Ca 0.07 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3d7a s VAL 10 Cb -0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3d7a s VAL 10 CO 0.02 0.41 -0.18 -0.70 0.00 0.00 0.00 175.10 174.65 3d7a s GLU 11 N 0.76 1.29 0.02 2.72 2.12 0.21 0.13 118.70 125.95 3d7a s GLU 11 Ca -0.12 -0.76 -0.17 0.00 0.36 0.00 0.00 54.97 54.28 3d7a s GLU 11 Cb -0.16 -1.32 0.03 0.00 0.26 0.00 0.00 34.13 32.95 3d7a s GLU 11 CO 0.02 0.35 0.37 0.00 -0.54 0.00 0.00 175.26 175.46 3d7a s ALA 12 N -0.64 -0.92 0.14 6.30 0.00 -0.59 -1.13 121.76 124.92 3d7a s ALA 12 Ca 0.06 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 3d7a s ALA 12 Cb -0.08 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 3d7a s ALA 12 CO 0.01 -0.37 0.53 0.71 0.00 0.00 0.00 175.76 176.63 3d7a s TYR 13 N -2.00 3.60 -0.28 0.00 2.02 -1.26 -0.80 117.35 118.63 3d7a s TYR 13 Ca -0.08 1.01 -0.03 0.00 -0.37 0.00 0.00 57.07 57.60 3d7a s TYR 13 Cb -0.02 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.24 3d7a s TYR 13 CO 0.01 0.44 -0.00 0.08 -1.57 0.00 0.00 175.55 174.50 3d7a s VAL 14 N -1.47 3.18 0.57 0.71 1.01 0.13 -4.93 120.40 119.59 3d7a s VAL 14 Ca 0.37 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3d7a s VAL 14 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3d7a s VAL 14 CO 0.19 0.04 0.92 -0.31 0.00 0.00 0.00 175.10 175.94 3d7a s TYR 15 N 1.34 3.52 0.55 5.22 1.51 -1.26 -0.95 117.35 127.26 3d7a s TYR 15 Ca -0.01 0.97 0.24 0.00 -1.01 0.00 0.00 57.07 57.26 3d7a s TYR 15 Cb -0.18 -2.59 1.44 0.00 -0.11 0.00 0.00 41.96 40.53 3d7a s TYR 15 CO -0.02 -0.59 2.07 -1.35 -1.11 0.00 0.00 175.55 174.55 3d7a h PRO 16 N -0.11 0.00 -0.01 -1.71 0.11 -1.93 -0.29 132.00 128.06 3d7a h PRO 16 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d7a h PRO 16 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d7a h PRO 16 CO 0.62 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.61 3d7a n THR 17 N -4.25 0.00 -2.98 -1.15 -2.24 -1.26 -4.88 114.28 97.52 3d7a n THR 17 Ca 0.04 -0.14 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 3d7a n THR 17 Cb 0.39 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3d7a n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d7a s GLU 18 N -2.14 3.52 -0.29 -0.78 2.02 -0.12 -5.09 118.70 115.82 3d7a s GLU 18 Ca 0.37 -0.05 -0.10 0.00 0.02 0.00 0.00 54.97 55.22 3d7a s GLU 18 Cb 0.21 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 3d7a s GLU 18 CO 0.39 -0.04 0.15 0.34 0.02 0.00 0.00 175.26 176.11 3d7a s ASP 19 N -4.07 5.59 0.45 -0.19 -1.08 -1.26 -4.85 116.67 111.26 3d7a s ASP 19 Ca 0.44 -0.29 0.24 0.00 -0.52 0.00 0.00 52.55 52.41 3d7a s ASP 19 Cb -0.10 -2.02 1.24 0.00 -1.46 0.00 0.00 42.92 40.58 3d7a s ASP 19 CO 0.41 -0.12 1.82 -0.29 0.52 0.00 0.00 175.17 177.51 3d7a h ILE 20 N 5.54 0.55 -0.08 4.11 2.10 -1.97 -0.07 117.51 127.69 3d7a h ILE 20 Ca -0.35 -0.09 -0.13 0.00 1.08 0.00 0.00 64.86 65.38 3d7a h ILE 20 Cb 1.17 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 3d7a h ILE 20 CO 0.59 0.05 -0.52 0.03 -1.08 0.00 0.00 178.15 177.22 3d7a h ARG 21 N 0.26 0.22 -0.29 2.19 3.08 -1.99 -0.48 114.38 117.38 3d7a h ARG 21 Ca 0.52 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 60.28 3d7a h ARG 21 Cb 1.57 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 3d7a h ARG 21 CO -0.16 0.69 -0.47 0.87 -1.07 0.00 0.00 179.97 179.83 3d7a h LYS 22 N 0.18 0.77 -0.49 0.04 1.57 -1.44 -1.27 116.57 115.93 3d7a h LYS 22 Ca 0.00 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 3d7a h LYS 22 Cb 0.97 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3d7a h LYS 22 CO 0.08 1.07 -0.07 0.28 -0.57 0.00 0.00 179.45 180.23 3d7a h VAL 23 N 0.61 1.27 -0.89 0.50 2.07 -1.30 -1.97 116.25 116.53 3d7a h VAL 23 Ca 0.03 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.41 3d7a h VAL 23 Cb 1.04 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3d7a h VAL 23 CO 0.10 0.41 0.57 0.11 0.02 0.00 0.00 177.57 178.78 3d7a h LYS 24 N 0.77 1.04 -0.55 1.57 1.57 -1.03 -1.76 116.57 118.19 3d7a h LYS 24 Ca 0.13 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3d7a h LYS 24 Cb 0.62 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3d7a h LYS 24 CO 0.04 0.69 0.30 -0.22 -0.57 0.00 0.00 179.45 179.69 3d7a h LYS 25 N 1.07 0.57 -0.40 3.15 3.64 -0.90 -1.60 116.57 122.10 3d7a h LYS 25 Ca 0.37 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3d7a h LYS 25 Cb 0.08 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3d7a h LYS 25 CO -0.14 0.38 0.20 0.00 -2.27 0.00 0.00 179.45 177.62 3d7a h ALA 26 N 1.27 0.52 -0.47 5.00 0.00 -0.87 -0.70 119.26 124.02 3d7a h ALA 26 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3d7a h ALA 26 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3d7a h ALA 26 CO -0.14 0.07 0.26 0.52 0.00 0.00 0.00 179.25 179.96 3d7a h MET 27 N 0.51 0.50 0.00 0.00 2.86 -1.14 -2.92 114.93 114.74 3d7a h MET 27 Ca 0.14 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 3d7a h MET 27 Cb 0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3d7a h MET 27 CO -0.02 0.33 -0.49 -0.07 1.06 0.00 0.00 176.91 177.73 3d7a h LEU 28 N 0.52 0.00 -1.96 1.22 3.38 -1.09 -0.68 115.31 116.70 3d7a h LEU 28 Ca 0.19 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3d7a h LEU 28 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3d7a h LEU 28 CO -0.11 0.49 0.19 0.78 0.09 0.00 0.00 178.44 179.88 3d7a h ASN 29 N 0.00 0.04 0.03 -0.43 2.35 -0.94 -3.16 115.58 113.48 3d7a h ASN 29 Ca -0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.36 3d7a h ASN 29 Cb 1.00 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.30 3d7a h ASN 29 CO 0.06 0.03 -2.35 0.18 -1.65 0.00 0.00 177.43 173.70 3d7a n LEU 30 N -4.47 2.86 -3.69 1.61 4.77 -0.71 -4.85 117.00 112.52 3d7a n LEU 30 Ca 0.03 -0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3d7a n LEU 30 Cb 0.31 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 40.28 3d7a n LEU 30 CO 0.35 0.90 -0.34 -0.63 -1.33 0.00 0.00 177.39 176.34 3d7a s ILE 31 N -2.53 0.53 0.70 -0.08 -1.09 -0.34 -4.19 121.20 114.20 3d7a s ILE 31 Ca -0.32 -0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 57.06 3d7a s ILE 31 Cb 0.08 -1.25 0.02 0.00 -1.58 0.00 0.00 42.46 39.74 3d7a s ILE 31 CO 0.64 -0.49 1.10 -2.16 -1.23 0.00 0.00 174.94 172.81 3d7a s PRO 32 N 1.82 2.58 -0.10 2.79 0.04 -1.20 -4.18 135.00 136.76 3d7a s PRO 32 Ca 0.05 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3d7a s PRO 32 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3d7a s PRO 32 CO -0.20 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 175.83 3d7a n GLY 33 N -0.78 0.43 3.76 0.56 0.00 -1.26 -4.90 105.19 103.01 3d7a n GLY 33 Ca 0.10 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 3d7a n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7a s LEU 34 N -0.22 4.49 -0.19 0.99 1.43 -1.26 -4.61 118.68 119.31 3d7a s LEU 34 Ca 0.00 2.38 -0.09 0.00 -1.03 0.00 0.00 54.13 55.39 3d7a s LEU 34 Cb 0.00 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3d7a s LEU 34 CO 0.00 -0.29 0.11 -1.10 0.23 0.00 0.00 176.35 175.30 3d7a s GLN 35 N -1.62 4.04 0.03 1.70 -0.21 0.91 -4.74 119.66 119.76 3d7a s GLN 35 Ca 0.47 -0.25 -0.00 0.00 0.02 0.00 0.00 55.36 55.59 3d7a s GLN 35 Cb -0.34 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.31 3d7a s GLN 35 CO 0.44 0.34 0.14 -0.06 -2.12 0.00 0.00 175.29 174.03 3d7a s PHE 36 N 0.22 3.41 0.07 0.91 0.08 -1.26 -1.54 117.98 119.87 3d7a s PHE 36 Ca 0.07 0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.44 3d7a s PHE 36 Cb -0.11 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3d7a s PHE 36 CO -0.01 0.59 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.28 3d7a s GLU 37 N -2.11 1.24 -0.04 0.44 2.02 -0.31 -5.00 118.70 114.95 3d7a s GLU 37 Ca 0.28 -1.05 0.07 0.00 0.02 0.00 0.00 54.97 54.29 3d7a s GLU 37 Cb -0.12 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 3d7a s GLU 37 CO 0.20 0.35 -0.25 0.00 0.02 0.00 0.00 175.26 175.58 3d7a s ALA 38 N -0.99 2.14 -0.21 5.21 0.00 -1.26 -1.25 121.76 125.41 3d7a s ALA 38 Ca 0.07 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3d7a s ALA 38 Cb -0.09 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3d7a s ALA 38 CO 0.03 0.47 -0.12 -0.06 0.00 0.00 0.00 175.76 176.08 3d7a s PHE 39 N -0.40 2.62 -0.02 0.00 0.08 0.45 -4.96 117.98 115.76 3d7a s PHE 39 Ca 0.04 -1.72 -0.30 0.00 0.12 0.00 0.00 56.93 55.06 3d7a s PHE 39 Cb -0.12 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3d7a s PHE 39 CO 0.01 -0.78 1.17 0.34 -0.10 0.00 0.00 175.22 175.86 3d7a s ASP 40 N 1.33 7.10 0.00 1.36 2.15 -1.26 0.11 116.67 127.46 3d7a s ASP 40 Ca -0.01 1.84 0.01 0.00 0.43 0.00 0.00 52.55 54.82 3d7a s ASP 40 Cb -0.16 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.91 3d7a s ASP 40 CO -0.08 -0.51 0.94 0.29 -0.17 0.00 0.00 175.17 175.63 3d7a n LYS 41 N 4.70 2.34 0.00 4.34 4.76 -0.11 -4.95 118.16 129.24 3d7a n LYS 41 Ca 0.10 -1.37 0.00 0.00 -2.87 0.00 0.00 58.31 54.16 3d7a n LYS 41 Cb 0.47 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 3d7a n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d7a n GLY 42 N -0.35 2.14 0.26 0.72 0.00 -1.26 -4.39 105.19 102.31 3d7a n GLY 42 Ca 0.01 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.96 3d7a n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d7a h GLU 43 N 0.00 0.00 -2.94 1.61 3.07 -1.97 -3.45 114.58 110.90 3d7a h GLU 43 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3d7a h GLU 43 Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.83 3d7a h GLU 43 CO 0.00 0.09 0.24 1.52 -1.40 0.00 0.00 179.01 179.47 3d7a s TYR 44 N -3.80 -0.34 -0.11 4.33 -0.85 -1.26 -4.36 117.35 110.97 3d7a s TYR 44 Ca -0.00 0.00 -0.05 0.00 -0.52 0.00 0.00 57.07 56.49 3d7a s TYR 44 Cb 0.10 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 43.04 3d7a s TYR 44 CO 0.57 -1.03 0.10 0.08 -1.52 0.00 0.00 175.55 173.75 3d7a s VAL 45 N -3.79 5.18 -0.26 -3.49 1.01 -0.13 -0.93 120.40 118.00 3d7a s VAL 45 Ca 0.07 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 3d7a s VAL 45 Cb -0.04 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3d7a s VAL 45 CO -0.02 0.60 0.40 -0.63 0.00 0.00 0.00 175.10 175.46 3d7a s ILE 46 N -1.00 5.16 -0.23 2.22 1.01 0.12 0.17 121.20 128.64 3d7a s ILE 46 Ca 0.15 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 3d7a s ILE 46 Cb -0.12 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 3d7a s ILE 46 CO 0.04 0.16 0.19 -0.76 0.00 0.00 0.00 174.94 174.57 3d7a s LEU 47 N 2.00 4.14 -0.15 2.97 1.43 0.02 -0.41 118.68 128.69 3d7a s LEU 47 Ca 0.17 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3d7a s LEU 47 Cb -0.16 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3d7a s LEU 47 CO 0.09 0.06 -0.14 -0.69 0.23 0.00 0.00 176.35 175.90 3d7a s VAL 48 N 0.98 1.57 0.17 -1.59 1.01 -0.38 -1.55 120.40 120.62 3d7a s VAL 48 Ca 0.09 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3d7a s VAL 48 Cb -0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3d7a s VAL 48 CO 0.04 0.46 0.04 -0.83 0.00 0.00 0.00 175.10 174.81 3d7a s GLY 49 N 1.46 1.72 -0.03 4.51 0.00 0.12 -1.16 107.32 113.94 3d7a s GLY 49 Ca 0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.30 3d7a s GLY 49 CO -0.10 -1.34 0.30 0.50 0.00 0.00 0.00 173.10 172.45 3d7a s ARG 50 N -3.00 0.61 -0.03 2.90 0.52 -0.59 -1.16 118.95 118.19 3d7a s ARG 50 Ca 0.29 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 3d7a s ARG 50 Cb -0.09 0.27 0.07 0.00 0.52 0.00 0.00 34.95 35.72 3d7a s ARG 50 CO 0.20 -0.16 0.67 -0.08 0.02 0.00 0.00 175.30 175.96 3d7a s THR 51 N -1.11 0.00 -0.59 0.02 -1.32 -0.89 -0.06 115.64 111.68 3d7a s THR 51 Ca -0.12 -0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.43 3d7a s THR 51 Cb -0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.93 3d7a s THR 51 CO 0.03 -0.00 0.48 0.29 -2.21 0.00 0.00 174.62 173.22 3d7a n LYS 52 N 0.81 2.73 -1.57 7.08 5.02 -1.26 -1.65 118.16 129.32 3d7a n LYS 52 Ca -0.19 -0.41 -0.50 0.00 -2.02 0.00 0.00 58.31 55.19 3d7a n LYS 52 Cb 0.58 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 3d7a n LYS 52 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3d7a n ASP 53 N -0.47 1.15 0.10 4.39 4.64 -1.26 -4.85 116.55 120.25 3d7a n ASP 53 Ca 0.03 1.14 0.12 0.00 -1.38 0.00 0.00 54.79 54.70 3d7a n ASP 53 Cb 0.14 -1.18 0.45 0.00 -1.04 0.00 0.00 41.12 39.50 3d7a n ASP 53 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3d7a n LYS 54 N 1.78 0.18 -0.22 -0.67 0.00 -1.26 -1.73 118.16 116.25 3d7a n LYS 54 Ca 0.16 0.30 0.04 0.00 0.00 0.00 0.00 58.31 58.80 3d7a n LYS 54 Cb 0.23 -1.78 0.14 0.00 0.00 0.00 0.00 35.03 33.62 3d7a n LYS 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3d7a n ARG 55 N -2.11 1.97 0.29 1.64 1.74 -1.26 -4.45 116.66 114.48 3d7a n ARG 55 Ca 0.04 -1.09 0.17 0.00 -0.77 0.00 0.00 57.85 56.19 3d7a n ARG 55 Cb 0.30 -1.43 0.82 0.00 -1.02 0.00 0.00 32.46 31.13 3d7a n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d7a h ALA 56 N 3.25 1.08 -0.26 7.54 0.00 -1.68 -2.41 119.26 126.78 3d7a h ALA 56 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3d7a h ALA 56 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3d7a h ALA 56 CO 0.07 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3d7a n LEU 57 N -3.26 2.68 -0.07 0.00 4.77 -1.26 -4.46 117.00 115.40 3d7a n LEU 57 Ca -0.01 -1.66 -0.05 0.00 -0.03 0.00 0.00 56.01 54.26 3d7a n LEU 57 Cb 0.24 -0.17 0.15 0.00 -2.33 0.00 0.00 43.42 41.31 3d7a n LEU 57 CO 0.27 0.63 0.79 -0.61 -1.33 0.00 0.00 177.39 177.13 3d7a h GLN 58 N 2.29 0.70 -0.68 3.23 5.75 -1.75 0.29 115.11 124.95 3d7a h GLN 58 Ca 0.00 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.21 3d7a h GLN 58 Cb 0.67 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 3d7a h GLN 58 CO 0.00 0.81 0.20 -0.09 -2.65 0.00 0.00 178.83 177.10 3d7a h ARG 59 N 0.63 1.06 0.03 1.69 9.65 -1.82 0.28 114.38 125.91 3d7a h ARG 59 Ca 0.11 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 3d7a h ARG 59 Cb 0.59 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3d7a h ARG 59 CO 0.04 0.92 -0.02 -0.07 2.80 0.00 0.00 179.97 183.64 3d7a h LEU 60 N 0.99 -0.04 -0.72 3.80 3.38 -1.61 0.37 115.31 121.48 3d7a h LEU 60 Ca 0.22 -0.44 0.11 0.00 0.09 0.00 0.00 57.88 57.85 3d7a h LEU 60 Cb 0.31 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 3d7a h LEU 60 CO -0.01 0.43 -0.40 0.22 0.09 0.00 0.00 178.44 178.78 3d7a h TYR 61 N -0.51 -1.14 -0.34 1.13 5.03 -0.37 0.31 116.97 121.08 3d7a h TYR 61 Ca -0.00 0.09 0.01 0.00 2.58 0.00 0.00 58.73 61.40 3d7a h TYR 61 Cb 0.48 0.60 -0.02 0.00 1.55 0.00 0.00 36.73 39.34 3d7a h TYR 61 CO 0.08 -0.40 0.21 0.93 -1.32 0.00 0.00 178.16 177.66 3d7a h GLU 62 N -0.13 0.42 -0.19 1.82 5.08 -0.30 -2.83 114.58 118.46 3d7a h GLU 62 Ca 0.24 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 3d7a h GLU 62 Cb 0.56 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3d7a h GLU 62 CO -0.78 0.28 -0.50 -0.07 -1.00 0.00 0.00 179.01 176.94 3d7a h LEU 63 N 0.43 0.55 -0.81 1.33 3.38 0.34 0.35 115.31 120.88 3d7a h LEU 63 Ca 0.13 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3d7a h LEU 63 Cb -0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3d7a h LEU 63 CO -0.04 0.95 0.53 -0.26 0.09 0.00 0.00 178.44 179.71 3d7a h PHE 64 N 0.40 1.02 0.02 1.13 0.04 -0.39 0.25 116.94 119.41 3d7a h PHE 64 Ca 0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3d7a h PHE 64 Cb 1.01 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3d7a h PHE 64 CO 0.04 0.65 -0.01 0.00 -0.60 0.00 0.00 178.31 178.39 3d7a h ARG 65 N 1.10 -0.02 -0.83 1.51 3.08 -1.27 -1.22 114.38 116.73 3d7a h ARG 65 Ca 0.29 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.36 3d7a h ARG 65 Cb -0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3d7a h ARG 65 CO -0.06 0.64 0.54 0.78 -1.07 0.00 0.00 179.97 180.80 3d7a h GLY 66 N -0.71 1.17 1.75 0.04 0.00 -0.29 -2.10 103.07 102.93 3d7a h GLY 66 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3d7a h GLY 66 CO 0.00 0.41 -0.13 -1.06 0.00 0.00 0.00 176.54 175.77 3d7a n GLN 67 N -4.52 0.00 -3.13 4.80 6.02 0.07 -4.95 117.38 115.66 3d7a n GLN 67 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.94 3d7a n GLN 67 Cb 0.03 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.86 3d7a n GLN 67 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3d7a n GLN 68 N -1.50 -4.19 -0.79 -1.09 6.02 -0.79 -4.95 117.38 110.08 3d7a n GLN 68 Ca 0.07 0.73 0.06 0.00 -0.01 0.00 0.00 57.00 57.85 3d7a n GLN 68 Cb 0.34 -5.32 0.16 0.00 1.02 0.00 0.00 30.24 26.44 3d7a n GLN 68 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3d7a n ILE 69 N -3.40 1.64 -0.12 5.09 -5.35 -0.49 -4.83 119.36 111.90 3d7a n ILE 69 Ca -0.17 -2.63 0.01 0.00 -0.27 0.00 0.00 62.75 59.69 3d7a n ILE 69 Cb 0.63 0.06 0.31 0.00 -1.74 0.00 0.00 39.64 38.90 3d7a n ILE 69 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3d7a h LEU 70 N 0.94 0.69 0.14 7.28 3.38 -1.93 -0.28 115.31 125.53 3d7a h LEU 70 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d7a h LEU 70 Cb 1.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3d7a h LEU 70 CO 0.02 0.53 -0.07 -2.24 0.09 0.00 0.00 178.44 176.77 3d7a h ASP 71 N 0.80 -0.16 -0.71 -0.43 -0.00 -1.88 -1.82 116.42 112.23 3d7a h ASP 71 Ca 0.21 -0.17 -0.05 0.00 -0.00 0.00 0.00 57.03 57.02 3d7a h ASP 71 Cb -0.04 0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 39.30 3d7a h ASP 71 CO -0.04 0.08 0.26 0.74 -0.00 0.00 0.00 179.24 180.28 3d7a h THR 72 N -0.40 1.25 -0.23 1.15 2.02 -1.84 -1.91 112.91 112.94 3d7a h THR 72 Ca -0.02 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3d7a h THR 72 Cb 0.32 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3d7a h THR 72 CO 0.03 0.33 0.09 0.00 0.37 0.00 0.00 175.52 176.34 3d7a h ALA 73 N 1.23 0.30 -0.81 6.16 0.00 -1.03 0.70 119.26 125.80 3d7a h ALA 73 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3d7a h ALA 73 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3d7a h ALA 73 CO -0.02 -0.10 0.35 -0.09 0.00 0.00 0.00 179.25 179.40 3d7a h ARG 74 N 0.23 1.20 -0.59 0.00 9.65 -1.20 0.11 114.38 123.78 3d7a h ARG 74 Ca 0.08 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.69 3d7a h ARG 74 Cb 0.18 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 3d7a h ARG 74 CO -0.01 0.95 0.10 1.98 2.80 0.00 0.00 179.97 185.79 3d7a h MET 75 N 1.17 0.94 -0.15 0.20 4.05 -1.11 -0.91 114.93 119.12 3d7a h MET 75 Ca 0.28 -0.23 -0.20 0.00 -0.28 0.00 0.00 59.70 59.27 3d7a h MET 75 Cb 0.17 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3d7a h MET 75 CO -0.03 0.87 -0.72 0.52 0.23 0.00 0.00 176.91 177.78 3d7a h MET 76 N 0.89 0.67 -0.56 0.39 2.86 -0.33 -1.07 114.93 117.78 3d7a h MET 76 Ca 0.18 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.28 3d7a h MET 76 Cb 0.38 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3d7a h MET 76 CO 0.01 1.14 0.25 -0.07 1.06 0.00 0.00 176.91 179.30 3d7a h LEU 77 N 0.47 0.75 -0.61 1.22 3.38 -0.64 -1.60 115.31 118.29 3d7a h LEU 77 Ca -0.03 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3d7a h LEU 77 Cb 1.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3d7a h LEU 77 CO 0.14 0.69 0.08 -0.33 0.09 0.00 0.00 178.44 179.12 3d7a h GLU 78 N 0.77 1.02 -0.35 1.13 4.39 -1.11 -1.61 114.58 118.81 3d7a h GLU 78 Ca 0.19 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3d7a h GLU 78 Cb 0.15 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3d7a h GLU 78 CO -0.02 0.96 0.12 1.49 -1.16 0.00 0.00 179.01 180.40 3d7a h GLU 79 N 0.92 0.50 -0.17 2.33 4.81 -1.11 -2.68 114.58 119.18 3d7a h GLU 79 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3d7a h GLU 79 Cb 0.45 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3d7a h GLU 79 CO 0.01 0.44 0.00 0.41 -0.73 0.00 0.00 179.01 179.14 3d7a n GLY 80 N -1.18 0.38 3.70 1.92 0.00 -0.61 -4.95 105.19 104.46 3d7a n GLY 80 Ca 0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3d7a n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d7a s TYR 81 N -1.79 3.40 -0.26 1.61 5.04 -0.67 -1.47 117.35 123.21 3d7a s TYR 81 Ca 0.33 0.45 -0.16 0.00 -2.44 0.00 0.00 57.07 55.25 3d7a s TYR 81 Cb 0.18 -2.31 0.07 0.00 0.35 0.00 0.00 41.96 40.25 3d7a s TYR 81 CO 0.27 0.16 0.64 0.12 -1.34 0.00 0.00 175.55 175.41 3d7a s PHE 82 N 0.73 -0.95 0.00 4.97 2.19 -0.43 -5.02 117.98 119.48 3d7a s PHE 82 Ca 0.13 1.95 0.00 0.00 0.33 0.00 0.00 56.93 59.34 3d7a s PHE 82 Cb -0.13 0.52 0.00 0.00 -1.31 0.00 0.00 43.02 42.10 3d7a s PHE 82 CO 0.03 -0.47 0.00 0.41 1.83 0.00 0.00 175.22 177.02 3d7a n GLY 83 N 4.09 1.88 0.29 13.12 0.00 -1.26 -2.56 105.19 120.74 3d7a n GLY 83 Ca -0.20 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.74 3d7a n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d7a n GLU 84 N 0.00 1.84 -3.76 1.61 1.02 -1.26 -4.65 120.64 115.44 3d7a n GLU 84 Ca 0.00 -2.57 -0.19 0.00 -0.02 0.00 0.00 57.16 54.38 3d7a n GLU 84 Cb 0.00 -1.55 -0.17 0.00 -0.02 0.00 0.00 31.44 29.69 3d7a n GLU 84 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3d7a s GLU 85 N -2.71 0.11 -0.17 3.49 2.12 -1.06 -1.28 118.70 119.20 3d7a s GLU 85 Ca 0.33 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.90 3d7a s GLU 85 Cb 0.28 -0.53 0.03 0.00 0.26 0.00 0.00 34.13 34.16 3d7a s GLU 85 CO 0.05 -0.26 -0.15 0.42 -0.54 0.00 0.00 175.26 174.78 3d7a s ILE 86 N 1.71 1.75 -0.17 -3.70 1.01 -0.70 -1.32 121.20 119.78 3d7a s ILE 86 Ca -0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3d7a s ILE 86 Cb -0.13 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3d7a s ILE 86 CO -0.03 0.42 -0.07 -0.63 0.00 0.00 0.00 174.94 174.63 3d7a s ILE 87 N 1.40 3.42 0.12 2.92 1.01 -0.55 -1.06 121.20 128.46 3d7a s ILE 87 Ca 0.04 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.25 3d7a s ILE 87 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3d7a s ILE 87 CO -0.11 0.48 -0.18 0.27 0.00 0.00 0.00 174.94 175.40 3d7a s ILE 88 N 0.73 1.61 -0.11 2.92 -4.36 -0.26 -4.18 121.20 117.54 3d7a s ILE 88 Ca -0.03 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 3d7a s ILE 88 Cb -0.15 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 42.00 3d7a s ILE 88 CO 0.02 -0.20 -0.22 -0.54 0.24 0.00 0.00 174.94 174.24 3d7a s LYS 89 N -2.22 2.94 0.16 0.37 1.02 -1.26 -0.48 119.74 120.27 3d7a s LYS 89 Ca 0.08 -0.84 0.08 0.00 0.02 0.00 0.00 55.97 55.32 3d7a s LYS 89 Cb -0.08 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 3d7a s LYS 89 CO 0.04 0.11 -0.18 0.14 -0.92 0.00 0.00 175.35 174.54 3d7a s VAL 90 N 0.52 1.80 0.07 3.17 -7.23 0.60 -4.67 120.40 114.66 3d7a s VAL 90 Ca -0.15 -1.87 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 3d7a s VAL 90 Cb -0.17 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 3d7a s VAL 90 CO 0.05 -0.29 1.48 -2.28 -0.31 0.00 0.00 175.10 173.75 3d7a s HIS 91 N -1.96 2.86 0.12 2.82 2.46 0.19 -0.31 115.29 121.47 3d7a s HIS 91 Ca 0.15 0.70 -0.13 0.00 0.47 0.00 0.00 55.06 56.24 3d7a s HIS 91 Cb -0.06 -3.78 -0.07 0.00 -0.13 0.00 0.00 32.58 28.54 3d7a s HIS 91 CO 0.06 -2.92 1.43 -0.22 -2.47 0.00 0.00 174.74 170.63 3d7a h LYS 92 N 7.58 0.81 -0.13 2.88 3.64 -1.84 -1.07 116.57 128.43 3d7a h LYS 92 Ca -0.41 -0.44 -0.16 0.00 -1.27 0.00 0.00 60.65 58.37 3d7a h LYS 92 Cb 1.20 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3d7a h LYS 92 CO 0.90 1.08 -0.60 1.96 -2.27 0.00 0.00 179.45 180.52 3d7a h GLN 93 N 0.59 0.44 -0.19 1.90 1.08 -1.90 -0.70 115.11 116.34 3d7a h GLN 93 Ca 0.05 -0.30 -0.17 0.00 -1.45 0.00 0.00 58.65 56.78 3d7a h GLN 93 Cb 0.94 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3d7a h GLN 93 CO 0.09 0.91 -0.57 0.28 -0.95 0.00 0.00 178.83 178.59 3d7a h VAL 94 N 0.33 1.32 -0.59 -0.54 2.07 -1.85 -2.95 116.25 114.03 3d7a h VAL 94 Ca -0.00 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3d7a h VAL 94 Cb 1.14 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3d7a h VAL 94 CO 0.11 0.57 0.32 0.00 0.02 0.00 0.00 177.57 178.58 3d7a h ALA 95 N 0.93 1.45 -0.24 1.67 0.00 -0.89 -1.62 119.26 120.56 3d7a h ALA 95 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3d7a h ALA 95 Cb 1.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3d7a h ALA 95 CO 0.11 0.45 0.11 -0.92 0.00 0.00 0.00 179.25 179.01 3d7a h TYR 96 N 0.82 0.31 -0.01 0.00 3.20 -0.96 -0.73 116.97 119.60 3d7a h TYR 96 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3d7a h TYR 96 Cb 0.03 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3d7a h TYR 96 CO 0.01 0.24 -0.21 1.33 -1.64 0.00 0.00 178.16 177.89 3d7a n VAL 97 N -4.46 0.00 0.00 1.81 0.24 -0.67 -4.77 118.33 110.48 3d7a n VAL 97 Ca 0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3d7a n VAL 97 Cb 0.11 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 3d7a n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d7a n GLY 98 N 1.32 0.98 3.69 7.63 0.00 -0.28 -5.11 105.19 113.42 3d7a n GLY 98 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3d7a n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7a s LYS 99 N -0.62 2.15 -0.16 1.61 1.02 -0.83 -4.94 119.74 117.97 3d7a s LYS 99 Ca 0.00 -1.87 -0.07 0.00 0.02 0.00 0.00 55.97 54.05 3d7a s LYS 99 Cb 0.00 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3d7a s LYS 99 CO 0.00 -0.05 0.09 0.08 -0.92 0.00 0.00 175.35 174.56 3d7a s VAL 100 N -2.60 5.06 -0.07 3.17 1.01 -1.26 -2.98 120.40 122.72 3d7a s VAL 100 Ca 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 3d7a s VAL 100 Cb 0.04 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.21 3d7a s VAL 100 CO 0.21 0.50 0.15 0.21 0.00 0.00 0.00 175.10 176.17 3d7a s ASN 101 N -0.06 0.40 -0.00 3.32 3.84 -1.26 -5.03 114.94 116.15 3d7a s ASN 101 Ca 0.08 0.30 0.14 0.00 0.21 0.00 0.00 52.86 53.59 3d7a s ASN 101 Cb -0.12 0.22 0.40 0.00 -0.55 0.00 0.00 41.25 41.20 3d7a s ASN 101 CO 0.01 -0.20 1.33 0.49 -2.79 0.00 0.00 177.10 175.93 3d7a n PHE 102 N 4.85 0.61 -2.37 0.43 3.01 -1.26 -0.64 117.46 122.09 3d7a n PHE 102 Ca -0.14 -0.30 -0.43 0.00 1.01 0.00 0.00 57.45 57.59 3d7a n PHE 102 Cb 0.51 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.95 3d7a n PHE 102 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3d7a s ASN 103 N -0.99 6.94 0.10 4.37 3.04 -1.26 -4.91 114.94 122.22 3d7a s ASN 103 Ca 0.30 1.83 0.24 0.00 0.04 0.00 0.00 52.86 55.27 3d7a s ASN 103 Cb 0.16 -2.55 0.37 0.00 -1.54 0.00 0.00 41.25 37.69 3d7a s ASN 103 CO 0.20 -0.72 1.33 -0.62 -3.04 0.00 0.00 177.10 174.26 3d7a n GLU 104 N 6.09 0.25 -2.15 0.43 4.71 -1.26 -4.28 120.64 124.43 3d7a n GLU 104 Ca 0.13 0.07 -0.37 0.00 -0.01 0.00 0.00 57.16 56.98 3d7a n GLU 104 Cb 0.45 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 3d7a n GLU 104 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3d7a n ASP 105 N -2.02 3.86 -4.58 1.62 -0.08 -1.26 -4.68 116.55 109.41 3d7a n ASP 105 Ca 0.04 -2.80 -0.40 0.00 -1.51 0.00 0.00 54.79 50.12 3d7a n ASP 105 Cb 0.43 -1.67 -0.10 0.00 2.34 0.00 0.00 41.12 42.12 3d7a n ASP 105 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3d7a s SER 106 N 5.07 6.17 -0.38 1.67 0.15 -1.26 -5.03 113.70 120.10 3d7a s SER 106 Ca 0.59 0.00 -0.43 0.00 0.70 0.00 0.00 55.95 56.81 3d7a s SER 106 Cb 0.04 -2.19 -0.18 0.00 -1.71 0.00 0.00 66.02 61.99 3d7a s SER 106 CO 0.09 -0.22 1.68 -2.65 1.20 0.00 0.00 173.24 173.34 3d7a n PRO 107 N 5.30 0.64 -2.85 5.44 -0.02 -1.26 -0.52 135.00 141.73 3d7a n PRO 107 Ca -0.10 0.23 -0.16 0.00 -2.02 0.00 0.00 63.50 61.45 3d7a n PRO 107 Cb 0.50 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.18 3d7a n PRO 107 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d7a n LEU 108 N 4.77 -2.43 -0.05 2.45 4.77 -1.26 -4.62 117.00 120.63 3d7a n LEU 108 Ca 0.29 -0.22 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 3d7a n LEU 108 Cb 0.04 -2.30 -0.00 0.00 -2.33 0.00 0.00 43.42 38.83 3d7a n LEU 108 CO 0.85 0.20 -0.02 0.61 -1.33 0.00 0.00 177.39 177.69 3d7a n GLY 109 N -1.34 -2.64 3.92 -0.72 0.00 0.32 -4.74 105.19 99.99 3d7a n GLY 109 Ca -0.08 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 3d7a n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d7a s PRO 110 N -3.04 1.56 -0.23 1.61 0.04 -1.26 -4.25 135.00 129.43 3d7a s PRO 110 Ca 0.00 -0.18 -0.11 0.00 0.04 0.00 0.00 61.00 60.75 3d7a s PRO 110 Cb 0.00 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3d7a s PRO 110 CO 0.00 -1.79 0.20 0.42 0.04 0.00 0.00 177.00 175.87 3d7a s ILE 111 N -3.60 5.33 -0.28 0.56 1.01 0.57 -4.57 121.20 120.23 3d7a s ILE 111 Ca 0.66 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 3d7a s ILE 111 Cb -0.08 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3d7a s ILE 111 CO 0.49 0.33 0.27 -0.89 0.00 0.00 0.00 174.94 175.15 3d7a s THR 112 N 1.08 5.25 -0.20 2.92 2.01 -0.28 -0.29 115.64 126.13 3d7a s THR 112 Ca 0.10 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 3d7a s THR 112 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3d7a s THR 112 CO 0.05 0.18 0.04 -0.63 -0.69 0.00 0.00 174.62 173.57 3d7a s ILE 113 N 1.89 4.41 -0.23 1.82 1.01 0.37 -0.61 121.20 129.85 3d7a s ILE 113 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 3d7a s ILE 113 Cb -0.16 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 3d7a s ILE 113 CO 0.11 0.43 -0.03 -0.89 0.00 0.00 0.00 174.94 174.55 3d7a s THR 114 N 0.80 3.39 -0.24 2.92 2.01 0.31 -1.10 115.64 123.72 3d7a s THR 114 Ca 0.02 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 3d7a s THR 114 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3d7a s THR 114 CO 0.02 0.37 0.28 -0.63 -0.69 0.00 0.00 174.62 173.97 3d7a s ILE 115 N 1.47 5.27 -0.23 1.82 1.01 -0.22 -0.45 121.20 129.86 3d7a s ILE 115 Ca 0.05 0.40 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 3d7a s ILE 115 Cb -0.15 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3d7a s ILE 115 CO -0.03 0.26 0.13 -0.13 0.00 0.00 0.00 174.94 175.17 3d7a s ARG 116 N 1.49 3.97 -0.21 2.79 0.52 -0.40 -1.73 118.95 125.38 3d7a s ARG 116 Ca 0.12 -0.32 -0.19 0.00 -0.52 0.00 0.00 55.73 54.82 3d7a s ARG 116 Cb -0.15 -3.44 0.06 0.00 0.52 0.00 0.00 34.95 31.94 3d7a s ARG 116 CO 0.08 0.05 0.56 -0.08 0.02 0.00 0.00 175.30 175.93 3d7a s THR 117 N 1.05 -0.00 -0.19 0.02 -1.32 -0.40 0.13 115.64 114.92 3d7a s THR 117 Ca 0.06 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.71 3d7a s THR 117 Cb -0.14 -0.79 0.12 0.00 -1.51 0.00 0.00 72.50 70.19 3d7a s THR 117 CO 0.04 0.00 1.49 0.11 -2.21 0.00 0.00 174.62 174.05 3d7a h LYS 118 N 5.40 0.00 -2.24 7.08 6.56 -1.92 -3.39 116.57 128.07 3d7a h LYS 118 Ca -0.28 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.70 3d7a h LYS 118 Cb 1.17 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 32.42 3d7a h LYS 118 CO 0.16 0.40 -0.53 0.39 -2.06 0.00 0.00 179.45 177.81 3d7a n GLU 119 N -3.21 2.60 0.23 3.15 1.02 -1.26 -4.94 120.64 118.24 3d7a n GLU 119 Ca 0.02 -4.67 0.10 0.00 -0.02 0.00 0.00 57.16 52.59 3d7a n GLU 119 Cb 0.69 -2.27 0.54 0.00 -0.02 0.00 0.00 31.44 30.38 3d7a n GLU 119 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3d7a h PRO 120 N 4.26 0.00 -0.01 3.49 0.13 -1.83 0.53 132.00 138.57 3d7a h PRO 120 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.29 3d7a h PRO 120 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3d7a h PRO 120 CO 0.86 0.21 -0.15 1.96 -0.23 0.00 0.00 178.00 180.65 3d7a h GLN 121 N 0.00 0.12 -0.62 0.86 1.08 -1.93 -0.63 115.11 113.98 3d7a h GLN 121 Ca -0.00 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.15 3d7a h GLN 121 Cb 0.60 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.01 3d7a h GLN 121 CO 0.03 0.84 0.31 -0.22 -0.95 0.00 0.00 178.83 178.84 3d7a h LYS 122 N -0.56 0.55 0.35 1.46 3.64 -1.95 -0.42 116.57 119.63 3d7a h LYS 122 Ca -0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3d7a h LYS 122 Cb 0.89 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3d7a h LYS 122 CO 0.03 0.37 -0.48 1.25 -2.27 0.00 0.00 179.45 178.35 3d7a h LEU 123 N 0.57 -1.35 -0.67 5.20 7.12 -0.84 0.30 115.31 125.65 3d7a h LEU 123 Ca 0.29 0.12 0.01 0.00 0.13 0.00 0.00 57.88 58.44 3d7a h LEU 123 Cb 0.24 0.47 -0.04 0.00 -0.53 0.00 0.00 40.66 40.81 3d7a h LEU 123 CO -0.22 -0.60 0.44 0.24 -0.13 0.00 0.00 178.44 178.18 3d7a h MET 124 N -0.87 0.86 -0.78 1.25 2.86 -0.91 0.65 114.93 118.00 3d7a h MET 124 Ca -0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3d7a h MET 124 Cb 0.80 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3d7a h MET 124 CO -0.14 0.57 0.39 -0.22 1.06 0.00 0.00 176.91 178.57 3d7a h LYS 125 N 0.89 1.10 -0.04 1.72 3.64 -0.85 -0.51 116.57 122.51 3d7a h LYS 125 Ca 0.25 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3d7a h LYS 125 Cb -0.07 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3d7a h LYS 125 CO -0.07 0.84 -0.38 2.35 -2.27 0.00 0.00 179.45 179.92 3d7a h TRP 126 N 1.10 0.46 -0.10 1.91 7.01 -0.40 -2.82 115.95 123.11 3d7a h TRP 126 Ca 0.27 -0.22 -0.23 0.00 2.11 0.00 0.00 58.89 60.82 3d7a h TRP 126 Cb 0.09 -0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 3d7a h TRP 126 CO 0.01 0.99 -0.84 1.25 -2.79 0.00 0.00 178.44 177.07 3d7a h LEU 127 N -0.20 0.84 -5.66 0.65 6.46 -0.73 -3.39 115.31 113.27 3d7a h LEU 127 Ca -0.04 -0.58 -0.41 0.00 -0.12 0.00 0.00 57.88 56.73 3d7a h LEU 127 Cb 1.07 -0.25 -0.29 0.00 -0.73 0.00 0.00 40.66 40.46 3d7a h LEU 127 CO 0.08 1.37 -0.82 0.00 -0.62 0.00 0.00 178.44 178.45 3d7a n ALA 128 N -2.59 0.83 -1.66 1.25 0.00 -0.21 -4.77 120.51 113.36 3d7a n ALA 128 Ca -0.08 -2.43 -0.38 0.00 0.00 0.00 0.00 53.44 50.55 3d7a n ALA 128 Cb 0.77 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 19.22 3d7a n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3d7a n PRO 129 N 2.05 1.19 -1.66 0.00 -0.04 -1.06 -4.57 135.00 130.91 3d7a n PRO 129 Ca 0.20 0.45 -0.37 0.00 -0.04 0.00 0.00 63.50 63.73 3d7a n PRO 129 Cb 0.55 -2.28 0.07 0.00 -0.04 0.00 0.00 33.50 31.80 3d7a n PRO 129 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d7a n ARG 130 N -0.89 0.97 -4.03 0.54 1.74 -1.26 -4.84 116.66 108.88 3d7a n ARG 130 Ca 0.12 0.38 -0.08 0.00 -0.77 0.00 0.00 57.85 57.51 3d7a n ARG 130 Cb 0.45 -2.38 -0.10 0.00 -1.02 0.00 0.00 32.46 29.42 3d7a n ARG 130 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d7a s THR 131 N -1.47 0.18 -0.15 0.55 -4.23 -1.26 -0.81 115.64 108.45 3d7a s THR 131 Ca 0.80 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3d7a s THR 131 Cb -0.39 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 72.40 3d7a s THR 131 CO 0.43 -0.80 -0.13 -0.75 -0.54 0.00 0.00 174.62 172.83 3d7a s LYS 132 N -3.06 2.18 -1.54 3.99 2.47 -0.16 -4.76 119.74 118.86 3d7a s LYS 132 Ca -0.01 -0.53 -0.14 0.00 -1.56 0.00 0.00 55.97 53.73 3d7a s LYS 132 Cb 0.02 -2.05 0.11 0.00 -1.46 0.00 0.00 37.83 34.44 3d7a s LYS 132 CO -0.07 -0.25 0.82 -0.25 0.16 0.00 0.00 175.35 175.76 3d7a n ASP 133 N 4.79 -4.18 0.00 1.43 8.00 -1.26 -0.72 116.55 124.61 3d7a n ASP 133 Ca -0.16 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3d7a n ASP 133 Cb 0.50 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 3d7a n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d7a n GLY 134 N -1.49 2.45 3.60 0.44 0.00 -1.26 -5.01 105.19 103.92 3d7a n GLY 134 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3d7a n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d7a s VAL 135 N -2.22 4.82 0.25 1.61 1.01 0.11 -4.98 120.40 121.00 3d7a s VAL 135 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 3d7a s VAL 135 Cb 0.00 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 3d7a s VAL 135 CO 0.00 -0.29 1.28 -2.65 0.00 0.00 0.00 175.10 173.44 3d7a n PRO 136 N 6.18 1.78 -0.20 2.72 -0.02 -1.26 -0.99 135.00 143.22 3d7a n PRO 136 Ca 0.02 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3d7a n PRO 136 Cb 0.48 -2.20 0.18 0.00 -0.02 0.00 0.00 33.50 31.94 3d7a n PRO 136 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3d7a n ILE 137 N 1.27 0.92 -1.82 4.25 -5.35 0.01 -4.84 119.36 113.80 3d7a n ILE 137 Ca 0.11 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 3d7a n ILE 137 Cb 0.31 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 3d7a n ILE 137 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95