#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1c s SER 4 N 0.00 -0.00 0.17 3.14 0.15 -1.26 -4.60 113.70 111.29 1u1c s SER 4 Ca 0.00 -0.00 0.23 0.00 0.70 0.00 0.00 55.95 56.88 1u1c s SER 4 Cb 0.00 0.07 0.12 0.00 -1.71 0.00 0.00 66.02 64.50 1u1c s SER 4 CO 0.00 -0.05 1.14 0.44 1.20 0.00 0.00 173.24 175.97 1u1c h ASP 5 N 5.91 0.00 -1.99 5.45 3.45 -1.68 -3.48 116.42 124.08 1u1c h ASP 5 Ca -0.25 -0.11 -0.61 0.00 0.43 0.00 0.00 57.03 56.49 1u1c h ASP 5 Cb 1.21 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.85 1u1c h ASP 5 CO 0.48 0.05 -0.69 0.68 -1.57 0.00 0.00 179.24 178.20 1u1c s VAL 6 N -3.28 2.36 0.17 -1.35 -7.23 -1.24 -5.07 120.40 104.76 1u1c s VAL 6 Ca 0.02 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1u1c s VAL 6 Cb 0.11 -2.61 -0.13 0.00 0.56 0.00 0.00 36.38 34.31 1u1c s VAL 6 CO 0.77 -0.24 1.39 -0.26 -0.31 0.00 0.00 175.10 176.45 1u1c h PHE 7 N 2.04 0.43 0.00 2.82 0.05 -1.95 -3.41 116.94 116.93 1u1c h PHE 7 Ca -0.42 -0.22 -0.03 0.00 3.82 0.00 0.00 57.97 61.12 1u1c h PHE 7 Cb 1.25 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 39.14 1u1c h PHE 7 CO 0.77 1.00 -1.12 0.72 -0.18 0.00 0.00 178.31 179.50 1u1c n HIS 8 N -3.75 0.00 0.22 -0.55 8.25 -1.26 -4.81 115.22 113.32 1u1c n HIS 8 Ca -0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.52 1u1c n HIS 8 Cb 0.77 -0.08 0.41 0.00 1.12 0.00 0.00 29.99 32.21 1u1c n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1c h LEU 9 N -0.00 0.00 -0.94 2.41 3.38 -1.92 -3.44 115.31 114.80 1u1c h LEU 9 Ca -0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1u1c h LEU 9 Cb 1.07 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.90 1u1c h LEU 9 CO -0.01 0.22 -0.39 0.61 0.09 0.00 0.00 178.44 178.96 1u1c n GLY 10 N 0.32 0.10 3.24 0.83 0.00 -1.26 -4.67 105.19 103.74 1u1c n GLY 10 Ca 0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1u1c n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1c s LEU 11 N -4.60 2.27 0.28 0.99 1.43 -1.26 -4.79 118.68 113.00 1u1c s LEU 11 Ca 0.33 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1u1c s LEU 11 Cb -0.14 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 1u1c s LEU 11 CO 0.42 0.03 0.17 0.42 0.23 0.00 0.00 176.35 177.62 1u1c s THR 12 N -1.12 3.88 0.44 5.49 -4.23 -1.26 -1.61 115.64 117.23 1u1c s THR 12 Ca 0.04 -1.53 0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1u1c s THR 12 Cb -0.10 -3.20 0.30 0.00 1.34 0.00 0.00 72.50 70.85 1u1c s THR 12 CO 0.03 -0.29 2.03 0.50 -0.54 0.00 0.00 174.62 176.34 1u1c h LYS 13 N 1.52 0.38 -0.18 3.99 3.64 -1.96 -2.28 116.57 121.69 1u1c h LYS 13 Ca -0.46 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1u1c h LYS 13 Cb 1.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1u1c h LYS 13 CO 0.60 0.25 -0.34 -0.97 -2.27 0.00 0.00 179.45 176.73 1u1c h ASN 14 N 0.39 0.38 -0.24 4.20 -0.00 -1.95 -2.94 115.58 115.42 1u1c h ASN 14 Ca 0.20 -0.14 0.04 0.00 -0.00 0.00 0.00 56.30 56.40 1u1c h ASN 14 Cb 0.30 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.50 1u1c h ASN 14 CO -0.05 0.70 0.16 0.44 -0.00 0.00 0.00 177.43 178.68 1u1c h ASP 15 N 0.32 0.11 1.20 1.15 3.45 -1.81 -2.50 116.42 118.34 1u1c h ASP 15 Ca 0.04 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.39 1u1c h ASP 15 Cb 0.75 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1u1c h ASP 15 CO 0.06 0.07 -0.52 -0.07 -1.57 0.00 0.00 179.24 177.22 1u1c h LEU 16 N 0.13 0.00 1.76 1.55 4.07 -1.58 -3.48 115.31 117.76 1u1c h LEU 16 Ca 0.10 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.67 1u1c h LEU 16 Cb 0.26 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.03 1u1c h LEU 16 CO -0.01 0.52 -0.56 0.00 -1.08 0.00 0.00 178.44 177.30 1u1c n GLN 17 N -3.35 -3.43 -0.60 1.13 6.02 -0.94 -2.54 117.38 113.67 1u1c n GLN 17 Ca 0.01 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1u1c n GLN 17 Cb 0.68 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.29 1u1c n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1c n GLY 18 N -1.30 0.65 3.76 1.08 0.00 -1.26 -4.80 105.19 103.32 1u1c n GLY 18 Ca -0.17 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1u1c n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c s ALA 19 N -2.00 3.49 -0.03 4.61 0.00 -1.05 -4.91 121.76 121.87 1u1c s ALA 19 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1u1c s ALA 19 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1u1c s ALA 19 CO 0.00 -0.50 0.03 0.25 0.00 0.00 0.00 175.76 175.54 1u1c n THR 20 N 1.50 0.00 -5.11 0.00 -2.24 -1.26 -4.23 114.28 102.94 1u1c n THR 20 Ca 0.02 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.99 1u1c n THR 20 Cb 0.43 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.50 1u1c n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1c s LEU 21 N -1.99 2.32 -0.06 3.22 0.20 -1.26 0.12 118.68 121.22 1u1c s LEU 21 Ca 0.00 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.43 1u1c s LEU 21 Cb 0.00 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.33 1u1c s LEU 21 CO 0.02 0.26 -0.09 0.00 -0.29 0.00 0.00 176.35 176.25 1u1c s ALA 22 N -0.25 1.07 -0.14 5.97 0.00 0.13 -1.60 121.76 126.93 1u1c s ALA 22 Ca -0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.43 1u1c s ALA 22 Cb -0.13 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1u1c s ALA 22 CO 0.03 0.02 0.66 0.42 0.00 0.00 0.00 175.76 176.89 1u1c s ILE 23 N 0.85 5.03 -0.47 0.00 1.01 0.66 -0.94 121.20 127.33 1u1c s ILE 23 Ca -0.12 1.30 0.04 0.00 0.00 0.00 0.00 60.65 61.88 1u1c s ILE 23 Cb -0.15 -3.99 0.12 0.00 0.01 0.00 0.00 42.46 38.46 1u1c s ILE 23 CO 0.01 0.17 0.21 0.68 0.00 0.00 0.00 174.94 176.01 1u1c s VAL 24 N 1.46 2.45 0.71 2.92 -7.23 0.33 -1.77 120.40 119.26 1u1c s VAL 24 Ca 0.33 -3.06 -0.11 0.00 -1.81 0.00 0.00 61.98 57.33 1u1c s VAL 24 Cb -0.16 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.06 1u1c s VAL 24 CO 0.13 -0.76 1.06 -2.16 -0.31 0.00 0.00 175.10 173.07 1u1c s PRO 25 N 0.01 2.85 0.01 4.82 0.04 -1.23 -3.18 135.00 138.32 1u1c s PRO 25 Ca 0.16 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1u1c s PRO 25 Cb -0.24 -1.99 -0.35 0.00 0.04 0.00 0.00 34.50 31.96 1u1c s PRO 25 CO -0.02 -1.14 0.93 0.78 0.04 0.00 0.00 177.00 177.59 1u1c h GLY 26 N -0.75 0.59 -6.23 0.56 0.00 -1.85 -1.12 103.07 94.27 1u1c h GLY 26 Ca -0.44 -1.51 -0.60 0.00 0.00 0.00 0.00 47.33 44.77 1u1c h GLY 26 CO 0.58 1.32 0.31 -0.35 0.00 0.00 0.00 176.54 178.40 1u1c s ASP 27 N -7.53 6.67 0.52 0.19 2.15 -1.26 -1.35 116.67 116.06 1u1c s ASP 27 Ca -0.10 0.76 0.27 0.00 0.43 0.00 0.00 52.55 53.91 1u1c s ASP 27 Cb 0.04 -2.38 1.39 0.00 -0.30 0.00 0.00 42.92 41.68 1u1c s ASP 27 CO 0.93 -0.49 1.93 1.55 -0.17 0.00 0.00 175.17 178.93 1u1c h PRO 28 N 7.92 0.05 0.00 4.34 0.13 -1.88 -1.55 132.00 141.01 1u1c h PRO 28 Ca -0.25 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1u1c h PRO 28 Cb 1.11 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1u1c h PRO 28 CO 0.83 0.03 0.00 -0.44 -0.23 0.00 0.00 178.00 178.20 1u1c h ASP 29 N 0.05 0.00 0.79 1.44 3.45 -1.96 -2.95 116.42 117.25 1u1c h ASP 29 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 1u1c h ASP 29 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1u1c h ASP 29 CO -0.02 0.00 -0.43 -1.14 -1.57 0.00 0.00 179.24 176.08 1u1c n ARG 30 N -2.69 0.12 0.07 3.56 0.63 -0.58 -4.41 116.66 113.36 1u1c n ARG 30 Ca 0.02 0.05 -0.13 0.00 -0.92 0.00 0.00 57.85 56.87 1u1c n ARG 30 Cb 0.31 -1.59 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 1u1c n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u1c h VAL 31 N 0.00 0.96 -0.58 5.15 2.07 -1.59 -2.42 116.25 119.84 1u1c h VAL 31 Ca 0.00 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1u1c h VAL 31 Cb 0.61 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1u1c h VAL 31 CO 0.00 0.04 0.13 -0.08 0.02 0.00 0.00 177.57 177.68 1u1c h GLU 32 N -0.18 0.90 -0.84 1.57 4.81 -1.80 -2.28 114.58 116.77 1u1c h GLU 32 Ca -0.01 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1u1c h GLU 32 Cb 0.14 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1u1c h GLU 32 CO 0.02 0.81 0.46 0.87 -0.73 0.00 0.00 179.01 180.43 1u1c h LYS 33 N 0.86 1.17 -0.19 1.92 1.57 -1.74 -0.26 116.57 119.91 1u1c h LYS 33 Ca 0.19 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1u1c h LYS 33 Cb 0.32 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1u1c h LYS 33 CO 0.00 0.87 -0.19 0.82 -0.57 0.00 0.00 179.45 180.38 1u1c h ILE 34 N 1.17 1.33 0.00 1.86 2.04 -1.31 -3.23 117.51 119.38 1u1c h ILE 34 Ca 0.29 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1u1c h ILE 34 Cb 0.04 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1u1c h ILE 34 CO -0.05 0.41 -0.21 0.00 0.00 0.00 0.00 178.15 178.30 1u1c h ALA 35 N 0.64 1.47 0.00 1.87 0.00 -1.16 -2.57 119.26 119.51 1u1c h ALA 35 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u1c h ALA 35 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1u1c h ALA 35 CO 0.05 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1u1c h ALA 36 N 1.79 1.00 0.00 0.00 0.00 -1.06 -2.63 119.26 118.36 1u1c h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1c h ALA 36 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1u1c h ALA 36 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1u1c n LEU 37 N -2.71 0.81 -4.87 0.00 4.77 -0.97 -4.87 117.00 109.17 1u1c n LEU 37 Ca 0.02 0.59 -0.24 0.00 -0.03 0.00 0.00 56.01 56.35 1u1c n LEU 37 Cb 0.30 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1u1c n LEU 37 CO 0.25 -0.23 0.00 -0.04 -1.33 0.00 0.00 177.39 176.04 1u1c s MET 38 N -3.13 2.34 0.48 3.23 -1.94 -0.99 -5.12 119.30 114.17 1u1c s MET 38 Ca 0.10 -1.81 -0.20 0.00 -1.71 0.00 0.00 55.69 52.06 1u1c s MET 38 Cb 0.12 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.68 1u1c s MET 38 CO 0.57 -0.39 1.01 -0.51 -0.01 0.00 0.00 175.02 175.70 1u1c s ASP 39 N -4.17 6.51 -1.09 3.03 1.01 -0.23 -4.38 116.67 117.34 1u1c s ASP 39 Ca 0.41 1.84 -0.23 0.00 0.71 0.00 0.00 52.55 55.28 1u1c s ASP 39 Cb -0.01 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1u1c s ASP 39 CO 0.24 -0.66 0.70 0.29 0.21 0.00 0.00 175.17 175.95 1u1c n LYS 40 N -0.94 -0.82 -2.47 8.23 5.02 -1.26 0.71 118.16 126.62 1u1c n LYS 40 Ca 0.08 0.38 -0.42 0.00 -2.02 0.00 0.00 58.31 56.34 1u1c n LYS 40 Cb 0.53 -3.08 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 1u1c n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1c s PRO 41 N -6.32 4.46 -0.02 1.97 0.04 -1.26 -4.24 135.00 129.63 1u1c s PRO 41 Ca 0.37 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1u1c s PRO 41 Cb -0.18 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1u1c s PRO 41 CO 0.92 -0.22 0.01 0.08 0.04 0.00 0.00 177.00 177.83 1u1c s VAL 42 N 1.02 0.03 0.14 -0.36 1.01 0.58 -5.01 120.40 117.81 1u1c s VAL 42 Ca 0.57 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1u1c s VAL 42 Cb -0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 1u1c s VAL 42 CO 0.29 0.08 1.16 -0.75 0.00 0.00 0.00 175.10 175.88 1u1c s LYS 43 N 0.71 4.51 -0.18 2.72 2.20 -1.26 -0.00 119.74 128.43 1u1c s LYS 43 Ca -0.06 1.78 -0.14 0.00 -0.36 0.00 0.00 55.97 57.19 1u1c s LYS 43 Cb -0.09 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 1u1c s LYS 43 CO -0.02 -0.08 -0.30 1.28 -0.36 0.00 0.00 175.35 175.87 1u1c n LEU 44 N 2.92 1.75 -3.51 5.43 4.77 0.21 -4.88 117.00 123.69 1u1c n LEU 44 Ca 0.05 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1u1c n LEU 44 Cb 0.46 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1u1c n LEU 44 CO 0.55 0.02 0.31 0.00 -1.33 0.00 0.00 177.39 176.93 1u1c s ALA 45 N -2.63 -1.33 -0.22 -1.18 0.00 -1.01 -5.00 121.76 110.40 1u1c s ALA 45 Ca -0.28 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1u1c s ALA 45 Cb 0.07 0.81 0.11 0.00 0.00 0.00 0.00 23.12 24.11 1u1c s ALA 45 CO 0.39 -0.72 0.27 0.45 0.00 0.00 0.00 175.76 176.14 1u1c s SER 46 N -2.77 1.05 -0.04 0.00 0.15 -1.26 -0.39 113.70 110.44 1u1c s SER 46 Ca 0.02 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 1u1c s SER 46 Cb 0.00 0.60 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1u1c s SER 46 CO -0.12 -0.32 0.06 -1.00 1.20 0.00 0.00 173.24 173.06 1u1c s HIS 47 N 2.39 0.01 0.00 3.44 3.76 0.23 -5.00 115.29 120.12 1u1c s HIS 47 Ca 0.09 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1u1c s HIS 47 Cb -0.16 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.23 1u1c s HIS 47 CO -0.14 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.15 1u1c n ARG 48 N 4.65 0.00 -0.08 1.40 1.74 -1.26 -0.90 116.66 122.22 1u1c n ARG 48 Ca -0.18 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1u1c n ARG 48 Cb 0.50 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.29 1u1c n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1c n GLU 49 N 14.00 1.59 -3.46 5.56 0.00 -1.26 -4.79 120.64 132.28 1u1c n GLU 49 Ca 0.00 -0.89 -0.43 0.00 0.00 0.00 0.00 57.16 55.84 1u1c n GLU 49 Cb 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 31.44 30.01 1u1c n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1c s PHE 50 N -1.79 3.26 -0.15 -1.84 0.40 -0.07 -4.20 117.98 113.58 1u1c s PHE 50 Ca 0.29 -0.96 -0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1u1c s PHE 50 Cb 0.15 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.73 1u1c s PHE 50 CO 0.22 -0.75 -0.13 0.99 0.70 0.00 0.00 175.22 176.26 1u1c s THR 51 N 1.60 2.89 -0.11 0.64 2.01 -1.26 -0.60 115.64 120.81 1u1c s THR 51 Ca 0.04 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1u1c s THR 51 Cb -0.22 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1u1c s THR 51 CO 0.07 0.51 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.39 1u1c s THR 52 N 0.74 2.17 0.07 -0.82 2.01 0.48 -2.09 115.64 118.20 1u1c s THR 52 Ca -0.06 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.06 1u1c s THR 52 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1u1c s THR 52 CO 0.01 0.55 -0.24 0.26 -0.69 0.00 0.00 174.62 174.52 1u1c s TRP 53 N 0.46 2.08 -0.08 4.92 0.52 0.42 -0.62 118.94 126.64 1u1c s TRP 53 Ca -0.15 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.57 1u1c s TRP 53 Cb -0.17 -1.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1u1c s TRP 53 CO 0.06 0.17 -0.04 0.50 0.02 0.00 0.00 176.95 177.66 1u1c s ARG 54 N -1.49 2.85 0.29 4.98 3.52 1.00 -0.58 118.95 129.52 1u1c s ARG 54 Ca 0.10 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.25 1u1c s ARG 54 Cb -0.10 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1u1c s ARG 54 CO 0.03 0.68 0.26 0.00 -0.81 0.00 0.00 175.30 175.46 1u1c s ALA 55 N -0.83 1.52 -0.04 6.12 0.00 0.17 -0.31 121.76 128.39 1u1c s ALA 55 Ca 0.13 -1.90 0.06 0.00 0.00 0.00 0.00 51.96 50.25 1u1c s ALA 55 Cb -0.11 1.42 -0.01 0.00 0.00 0.00 0.00 23.12 24.41 1u1c s ALA 55 CO 0.02 -0.66 -0.22 -2.00 0.00 0.00 0.00 175.76 172.90 1u1c s GLU 56 N -3.61 2.15 -0.11 0.00 2.12 0.22 0.08 118.70 119.55 1u1c s GLU 56 Ca 0.39 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 1u1c s GLU 56 Cb 0.03 -1.89 0.04 0.00 0.26 0.00 0.00 34.13 32.57 1u1c s GLU 56 CO 0.22 0.37 0.01 -1.17 -0.54 0.00 0.00 175.26 174.15 1u1c s LEU 57 N -0.19 0.78 -1.37 2.70 2.96 0.51 -1.07 118.68 122.99 1u1c s LEU 57 Ca -0.01 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 1u1c s LEU 57 Cb -0.12 -0.50 0.03 0.00 0.50 0.00 0.00 46.19 46.11 1u1c s LEU 57 CO 0.02 -0.23 0.42 0.47 -1.32 0.00 0.00 176.35 175.72 1u1c n ASP 58 N 5.11 -4.72 0.00 3.68 10.43 -1.26 -1.36 116.55 128.44 1u1c n ASP 58 Ca -0.08 -0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.05 1u1c n ASP 58 Cb 0.49 -3.88 0.00 0.00 1.84 0.00 0.00 41.12 39.57 1u1c n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1c n GLY 59 N -1.23 0.47 3.18 0.44 0.00 -1.26 -5.05 105.19 101.74 1u1c n GLY 59 Ca -0.08 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1u1c n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1c s LYS 60 N -1.05 2.15 0.21 1.61 1.02 -0.46 -5.11 119.74 118.11 1u1c s LYS 60 Ca 0.00 -0.72 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 1u1c s LYS 60 Cb 0.00 -1.81 -0.11 0.00 -0.52 0.00 0.00 37.83 35.39 1u1c s LYS 60 CO 0.00 0.27 1.57 -1.25 -0.92 0.00 0.00 175.35 175.02 1u1c s PRO 61 N 0.05 4.19 -0.00 -1.68 0.04 -1.26 -0.37 135.00 135.97 1u1c s PRO 61 Ca -0.06 2.43 0.04 0.00 0.04 0.00 0.00 61.00 63.44 1u1c s PRO 61 Cb -0.13 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1u1c s PRO 61 CO 0.03 -0.60 -0.11 0.08 0.04 0.00 0.00 177.00 176.44 1u1c s VAL 62 N 0.72 0.91 -0.12 -0.36 1.01 0.11 -4.42 120.40 118.25 1u1c s VAL 62 Ca 0.67 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 1u1c s VAL 62 Cb -0.45 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1u1c s VAL 62 CO 0.37 0.21 0.08 -0.63 0.00 0.00 0.00 175.10 175.12 1u1c s ILE 63 N -0.36 4.98 -0.15 2.22 -1.09 -0.63 -0.66 121.20 125.51 1u1c s ILE 63 Ca 0.04 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1u1c s ILE 63 Cb -0.05 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1u1c s ILE 63 CO -0.00 0.58 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.42 1u1c s VAL 64 N -0.66 2.40 -0.09 2.92 1.01 0.26 -0.25 120.40 125.98 1u1c s VAL 64 Ca 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1u1c s VAL 64 Cb -0.12 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1u1c s VAL 64 CO 0.02 0.53 0.21 0.00 0.00 0.00 0.00 175.10 175.86 1u1c s SER 66 N 1.43 7.00 -0.09 0.00 1.04 -0.89 -3.54 113.70 118.66 1u1c s SER 66 Ca -0.07 1.96 0.20 0.00 0.48 0.00 0.00 55.95 58.51 1u1c s SER 66 Cb -0.11 -2.58 -0.29 0.00 0.10 0.00 0.00 66.02 63.14 1u1c s SER 66 CO -0.07 -0.31 0.34 0.35 0.98 0.00 0.00 173.24 174.52 1u1c n THR 67 N 0.18 0.61 0.00 2.02 -2.24 -0.42 -4.47 114.28 109.96 1u1c n THR 67 Ca 0.04 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1u1c n THR 67 Cb 0.50 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1u1c n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1c n GLY 68 N 1.46 -1.58 3.70 3.38 0.00 -0.45 -3.22 105.19 108.48 1u1c n GLY 68 Ca -0.16 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1u1c n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1c s ILE 69 N -1.46 4.83 0.00 -0.61 1.01 -1.26 -4.72 121.20 118.99 1u1c s ILE 69 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.65 1u1c s ILE 69 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1u1c s ILE 69 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1u1c n GLY 70 N 3.05 2.30 0.21 6.18 0.00 -1.22 -4.72 105.19 110.99 1u1c n GLY 70 Ca 0.07 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 1u1c n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1c h GLY 71 N 0.00 0.72 0.30 -0.02 0.00 -1.86 -2.91 103.07 99.30 1u1c h GLY 71 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1u1c h GLY 71 CO 0.00 0.23 -0.26 -2.55 0.00 0.00 0.00 176.54 173.96 1u1c h PRO 72 N 0.65 -0.33 0.00 4.80 0.11 -1.94 0.39 132.00 135.67 1u1c h PRO 72 Ca 0.20 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 1u1c h PRO 72 Cb -0.03 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1u1c h PRO 72 CO -0.07 -0.22 -0.58 0.66 -0.21 0.00 0.00 178.00 177.58 1u1c h SER 73 N -0.34 0.00 -0.41 -2.05 4.64 -1.80 -2.77 113.55 110.82 1u1c h SER 73 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u1c h SER 73 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1u1c h SER 73 CO -0.29 0.58 0.25 0.74 -0.87 0.00 0.00 176.83 177.24 1u1c h THR 74 N 0.00 1.13 -0.26 2.95 2.02 -1.24 -1.96 112.91 115.57 1u1c h THR 74 Ca -0.01 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1u1c h THR 74 Cb 1.10 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1u1c h THR 74 CO 0.08 0.14 0.04 0.77 0.37 0.00 0.00 175.52 176.91 1u1c h SER 75 N 0.54 0.33 -0.00 4.18 4.64 -0.05 -0.66 113.55 122.53 1u1c h SER 75 Ca 0.15 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1u1c h SER 75 Cb 0.00 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1u1c h SER 75 CO -0.03 0.36 -0.00 0.40 -0.87 0.00 0.00 176.83 176.69 1u1c h ILE 76 N 0.36 1.39 -0.50 0.95 2.04 -1.30 -2.59 117.51 117.86 1u1c h ILE 76 Ca 0.09 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1u1c h ILE 76 Cb 0.18 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1u1c h ILE 76 CO -0.00 0.30 0.22 0.00 0.00 0.00 0.00 178.15 178.67 1u1c h ALA 77 N 0.52 0.64 -0.35 1.87 0.00 -1.03 -1.57 119.26 119.34 1u1c h ALA 77 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1u1c h ALA 77 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u1c h ALA 77 CO 0.00 0.22 0.01 0.28 0.00 0.00 0.00 179.25 179.76 1u1c h VAL 78 N 0.66 1.25 -0.35 0.00 2.07 -1.23 -1.28 116.25 117.37 1u1c h VAL 78 Ca 0.17 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1u1c h VAL 78 Cb 0.15 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1u1c h VAL 78 CO -0.02 0.32 0.17 -0.08 0.02 0.00 0.00 177.57 177.98 1u1c h GLU 79 N 0.43 0.50 0.00 1.57 4.57 -1.35 -0.87 114.58 119.44 1u1c h GLU 79 Ca 0.10 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 1u1c h GLU 79 Cb 0.44 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1u1c h GLU 79 CO 0.02 0.45 -0.57 0.93 -1.18 0.00 0.00 179.01 178.66 1u1c h GLU 80 N 0.43 0.00 -0.21 1.92 5.08 -1.26 -1.58 114.58 118.96 1u1c h GLU 80 Ca 0.12 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 1u1c h GLU 80 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1u1c h GLU 80 CO -0.02 0.57 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.96 1u1c h LEU 81 N 0.00 0.68 -0.97 1.33 3.38 -1.11 -2.83 115.31 115.78 1u1c h LEU 81 Ca -0.01 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1u1c h LEU 81 Cb 1.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1u1c h LEU 81 CO 0.07 1.09 0.05 0.00 0.09 0.00 0.00 178.44 179.74 1u1c h ALA 82 N 0.93 1.15 -0.34 1.53 0.00 -0.84 -0.09 119.26 121.60 1u1c h ALA 82 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1u1c h ALA 82 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1u1c h ALA 82 CO 0.11 0.56 0.06 1.96 0.00 0.00 0.00 179.25 181.93 1u1c h GLN 83 N 0.75 0.51 -0.01 0.00 4.20 -1.24 -2.53 115.11 116.79 1u1c h GLN 83 Ca 0.15 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1u1c h GLN 83 Cb 0.39 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1u1c h GLN 83 CO 0.01 0.49 -0.13 1.28 -0.67 0.00 0.00 178.83 179.81 1u1c n LEU 84 N -4.33 0.95 0.00 1.46 4.77 -0.93 -4.93 117.00 114.00 1u1c n LEU 84 Ca 0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1u1c n LEU 84 Cb 0.20 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1u1c n LEU 84 CO 0.38 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1u1c n GLY 85 N 1.26 1.00 3.72 -0.72 0.00 -0.79 -4.80 105.19 104.85 1u1c n GLY 85 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1u1c n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1c s ILE 86 N -2.00 3.84 -0.00 -0.61 -1.09 -0.11 -4.48 121.20 116.74 1u1c s ILE 86 Ca 0.00 1.34 0.01 0.00 -2.23 0.00 0.00 60.65 59.77 1u1c s ILE 86 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 1u1c s ILE 86 CO 0.00 0.11 0.03 0.54 -1.23 0.00 0.00 174.94 174.39 1u1c n ARG 87 N 3.82 0.17 -4.72 2.79 5.12 0.12 -4.15 116.66 119.81 1u1c n ARG 87 Ca 0.09 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.70 1u1c n ARG 87 Cb 0.45 -1.03 -0.17 0.00 -1.16 0.00 0.00 32.46 30.55 1u1c n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1c s THR 88 N -2.09 1.73 -0.18 0.55 2.01 -0.43 -1.50 115.64 115.72 1u1c s THR 88 Ca -0.01 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1u1c s THR 88 Cb 0.01 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1u1c s THR 88 CO 0.06 0.49 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.94 1u1c s PHE 89 N 0.74 2.63 -0.33 4.92 0.40 0.36 -0.69 117.98 126.02 1u1c s PHE 89 Ca -0.11 -1.58 -0.03 0.00 -0.60 0.00 0.00 56.93 54.61 1u1c s PHE 89 Cb -0.16 -1.82 0.06 0.00 0.51 0.00 0.00 43.02 41.61 1u1c s PHE 89 CO 0.02 -0.77 0.06 -0.51 0.70 0.00 0.00 175.22 174.71 1u1c s LEU 90 N 1.34 4.24 -0.04 -0.37 1.43 -0.12 -0.65 118.68 124.50 1u1c s LEU 90 Ca 0.04 -1.36 -0.25 0.00 -1.03 0.00 0.00 54.13 51.53 1u1c s LEU 90 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1u1c s LEU 90 CO -0.12 -0.33 0.75 -0.60 0.23 0.00 0.00 176.35 176.29 1u1c s ARG 91 N 1.28 4.46 -0.15 1.70 3.52 -0.09 -0.51 118.95 129.15 1u1c s ARG 91 Ca -0.02 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1u1c s ARG 91 Cb -0.20 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1u1c s ARG 91 CO -0.00 0.07 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.85 1u1c s ILE 92 N 0.73 2.05 0.19 4.11 -1.16 -1.19 -0.81 121.20 125.11 1u1c s ILE 92 Ca 0.40 -0.96 0.04 0.00 -0.51 0.00 0.00 60.65 59.62 1u1c s ILE 92 Cb -0.19 -1.82 -0.01 0.00 0.61 0.00 0.00 42.46 41.05 1u1c s ILE 92 CO 0.20 0.54 0.14 0.61 -2.81 0.00 0.00 174.94 173.62 1u1c n GLY 93 N 4.29 3.47 3.86 1.50 0.00 -0.50 -3.93 105.19 113.87 1u1c n GLY 93 Ca -0.20 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 1u1c n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1c s THR 94 N -2.66 4.25 0.08 2.61 -4.23 -1.26 -2.39 115.64 112.04 1u1c s THR 94 Ca 0.19 -1.32 -0.22 0.00 -1.18 0.00 0.00 61.69 59.17 1u1c s THR 94 Cb 0.01 -3.39 0.05 0.00 1.34 0.00 0.00 72.50 70.51 1u1c s THR 94 CO 0.14 -0.28 0.53 0.28 -0.54 0.00 0.00 174.62 174.74 1u1c s THR 95 N -2.17 0.03 -0.23 3.99 -1.32 -1.07 -4.80 115.64 110.07 1u1c s THR 95 Ca 0.36 -0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.57 1u1c s THR 95 Cb -0.08 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 1u1c s THR 95 CO 0.26 -0.12 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.71 1u1c s GLY 96 N -2.24 1.65 0.43 6.08 0.00 -1.07 -2.56 107.32 109.61 1u1c s GLY 96 Ca -0.03 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 43.27 1u1c s GLY 96 CO -0.05 0.47 0.98 0.00 0.00 0.00 0.00 173.10 174.50 1u1c s ALA 97 N 1.50 3.02 0.00 3.20 0.00 -0.05 -0.93 121.76 128.49 1u1c s ALA 97 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1u1c s ALA 97 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1u1c s ALA 97 CO -0.02 -0.00 0.65 0.44 0.00 0.00 0.00 175.76 176.83 1u1c n ILE 98 N -0.56 0.40 -4.40 0.00 -5.35 -0.19 -0.42 119.36 108.85 1u1c n ILE 98 Ca 0.07 -0.60 -0.34 0.00 -0.27 0.00 0.00 62.75 61.60 1u1c n ILE 98 Cb 0.53 0.90 -0.10 0.00 -1.74 0.00 0.00 39.64 39.22 1u1c n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1c s GLN 99 N -0.40 3.16 0.50 6.28 -1.52 -1.24 -4.79 119.66 121.64 1u1c s GLN 99 Ca 0.00 -0.45 0.16 0.00 -1.95 0.00 0.00 55.36 53.12 1u1c s GLN 99 Cb 0.00 -2.81 1.19 0.00 -0.22 0.00 0.00 33.01 31.17 1u1c s GLN 99 CO 0.00 0.57 2.10 -1.35 -0.25 0.00 0.00 175.29 176.35 1u1c h PRO 100 N 5.61 0.00 0.00 2.91 0.11 -1.96 -2.85 132.00 135.81 1u1c h PRO 100 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u1c h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1c h PRO 100 CO 0.57 0.07 0.00 -2.39 -0.21 0.00 0.00 178.00 176.04 1u1c n HIS 101 N -4.43 0.48 -3.35 0.65 1.44 -1.26 -4.72 115.22 104.03 1u1c n HIS 101 Ca -0.03 0.14 -0.38 0.00 -2.01 0.00 0.00 57.72 55.44 1u1c n HIS 101 Cb 0.15 -0.73 -0.06 0.00 0.12 0.00 0.00 29.99 29.47 1u1c n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1c s ILE 102 N -3.06 5.20 0.31 0.61 1.01 -1.08 -5.08 121.20 119.12 1u1c s ILE 102 Ca 0.12 0.88 0.07 0.00 0.00 0.00 0.00 60.65 61.72 1u1c s ILE 102 Cb 0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1u1c s ILE 102 CO 0.56 0.32 0.33 0.20 0.00 0.00 0.00 174.94 176.35 1u1c s ASN 103 N 0.67 5.59 0.03 3.58 0.02 -1.26 -4.88 114.94 118.69 1u1c s ASN 103 Ca 0.24 -0.33 -0.30 0.00 -1.02 0.00 0.00 52.86 51.45 1u1c s ASN 103 Cb -0.15 -1.18 -0.07 0.00 0.02 0.00 0.00 41.25 39.87 1u1c s ASN 103 CO 0.09 -0.30 1.56 -0.69 0.02 0.00 0.00 177.10 177.78 1u1c s VAL 104 N -2.22 3.34 0.00 1.60 1.01 -1.26 -2.37 120.40 120.50 1u1c s VAL 104 Ca 0.40 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1u1c s VAL 104 Cb -0.07 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1u1c s VAL 104 CO 0.28 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1u1c n GLY 105 N 3.88 2.73 3.75 4.51 0.00 0.94 -5.01 105.19 116.00 1u1c n GLY 105 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1u1c n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1c s ASP 106 N -1.54 4.61 -0.09 1.61 1.11 -1.00 -4.65 116.67 116.71 1u1c s ASP 106 Ca 0.00 2.10 -0.00 0.00 0.18 0.00 0.00 52.55 54.83 1u1c s ASP 106 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1u1c s ASP 106 CO 0.00 -1.97 -0.08 0.54 1.18 0.00 0.00 175.17 174.84 1u1c s VAL 107 N -2.32 3.59 -0.14 -1.27 0.11 -0.29 -0.65 120.40 119.43 1u1c s VAL 107 Ca 0.68 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1u1c s VAL 107 Cb -0.23 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1u1c s VAL 107 CO 0.45 0.56 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.84 1u1c s LEU 108 N -0.37 2.28 -0.23 2.54 1.43 0.74 -1.87 118.68 123.21 1u1c s LEU 108 Ca 0.05 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1u1c s LEU 108 Cb -0.12 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1u1c s LEU 108 CO 0.02 0.10 0.09 -0.69 0.23 0.00 0.00 176.35 176.11 1u1c s VAL 109 N 0.70 4.72 -0.18 -1.59 1.01 -0.46 -1.46 120.40 123.14 1u1c s VAL 109 Ca -0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 1u1c s VAL 109 Cb -0.16 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1u1c s VAL 109 CO 0.01 0.37 0.56 -0.89 0.00 0.00 0.00 175.10 175.14 1u1c s THR 110 N 1.16 5.09 -0.06 3.92 2.01 -0.92 -2.42 115.64 124.41 1u1c s THR 110 Ca 0.05 1.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.90 1u1c s THR 110 Cb -0.14 -3.88 -0.30 0.00 0.01 0.00 0.00 72.50 68.18 1u1c s THR 110 CO 0.04 0.18 0.79 0.71 -0.69 0.00 0.00 174.62 175.65 1u1c h THR 111 N 5.07 1.35 -2.96 -0.82 1.35 -1.63 -3.41 112.91 111.86 1u1c h THR 111 Ca -0.34 -2.50 -0.00 0.00 -0.55 0.00 0.00 66.41 63.01 1u1c h THR 111 Cb 1.16 3.04 -0.11 0.00 -1.73 0.00 0.00 68.15 70.50 1u1c h THR 111 CO 0.75 0.72 0.23 0.00 -0.25 0.00 0.00 175.52 176.97 1u1c s ALA 112 N -2.45 -1.57 0.02 6.62 0.00 -1.26 -0.41 121.76 122.71 1u1c s ALA 112 Ca -0.15 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.31 1u1c s ALA 112 Cb 0.02 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 1u1c s ALA 112 CO 0.82 -0.80 -0.26 -1.12 0.00 0.00 0.00 175.76 174.40 1u1c s SER 113 N -2.76 3.17 -0.06 0.00 0.01 -0.23 -1.94 113.70 111.88 1u1c s SER 113 Ca 0.02 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 1u1c s SER 113 Cb -0.02 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1u1c s SER 113 CO -0.10 0.28 1.32 -0.69 0.41 0.00 0.00 173.24 174.46 1u1c s VAL 114 N -0.74 4.01 -1.21 3.43 1.01 0.13 -4.30 120.40 122.72 1u1c s VAL 114 Ca 0.11 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.26 1u1c s VAL 114 Cb -0.10 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1u1c s VAL 114 CO 0.01 -0.04 1.52 -0.13 0.00 0.00 0.00 175.10 176.47 1u1c s ARG 115 N 2.72 4.00 -0.44 2.72 0.52 -1.26 -1.62 118.95 125.59 1u1c s ARG 115 Ca 0.60 -2.26 0.02 0.00 -0.52 0.00 0.00 55.73 53.58 1u1c s ARG 115 Cb -0.27 -5.24 0.55 0.00 0.52 0.00 0.00 34.95 30.51 1u1c s ARG 115 CO 0.22 -1.96 1.86 1.28 0.02 0.00 0.00 175.30 176.72 1u1c n LEU 116 N 6.84 6.57 -4.68 2.53 4.77 -0.59 -4.94 117.00 127.48 1u1c n LEU 116 Ca 0.40 -3.52 -0.30 0.00 -0.03 0.00 0.00 56.01 52.56 1u1c n LEU 116 Cb 0.45 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 1u1c n LEU 116 CO 0.67 1.08 -0.28 1.51 -1.33 0.00 0.00 177.39 179.05 1u1c s ASP 117 N -1.11 3.99 -0.18 -1.43 -4.77 -1.21 -1.51 116.67 110.45 1u1c s ASP 117 Ca 0.52 -1.49 0.09 0.00 -3.30 0.00 0.00 52.55 48.36 1u1c s ASP 117 Cb 0.43 0.00 -0.17 0.00 -1.09 0.00 0.00 42.92 42.09 1u1c s ASP 117 CO 0.07 -0.63 -0.04 0.61 0.70 0.00 0.00 175.17 175.88 1u1c n GLY 118 N -1.10 -0.59 0.23 2.12 0.00 -1.26 -4.69 105.19 99.91 1u1c n GLY 118 Ca -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 1u1c n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c h ALA 119 N 0.47 1.13 -0.64 4.61 0.00 -1.98 -2.65 119.26 120.20 1u1c h ALA 119 Ca -0.45 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.21 1u1c h ALA 119 Cb 1.88 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1u1c h ALA 119 CO -0.02 0.55 0.43 0.66 0.00 0.00 0.00 179.25 180.87 1u1c h SER 120 N 0.36 0.42 0.72 0.00 4.64 -1.85 -0.73 113.55 117.11 1u1c h SER 120 Ca 0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1u1c h SER 120 Cb 0.68 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1u1c h SER 120 CO 0.05 0.25 0.00 -0.07 -0.87 0.00 0.00 176.83 176.19 1u1c h LEU 121 N 0.47 0.00 -0.08 5.97 3.38 -1.58 -1.96 115.31 121.51 1u1c h LEU 121 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1u1c h LEU 121 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1u1c h LEU 121 CO -0.09 0.00 -0.08 1.41 0.09 0.00 0.00 178.44 179.77 1u1c n HIS 122 N -2.60 0.00 -0.01 1.13 8.25 -0.28 -3.96 115.22 117.75 1u1c n HIS 122 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1u1c n HIS 122 Cb 0.23 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 1u1c n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1c n PHE 123 N -1.23 0.00 -3.64 4.41 3.01 -0.89 -5.07 117.46 114.04 1u1c n PHE 123 Ca 0.12 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.44 1u1c n PHE 123 Cb 0.28 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.54 1u1c n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1c s ALA 124 N -2.06 -1.53 0.81 4.37 0.00 -0.79 -5.01 121.76 117.55 1u1c s ALA 124 Ca -0.02 1.57 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 1u1c s ALA 124 Cb 0.01 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.48 1u1c s ALA 124 CO 0.11 -0.31 1.19 -1.25 0.00 0.00 0.00 175.76 175.50 1u1c s PRO 125 N -0.09 1.61 0.43 0.00 0.04 -1.26 -3.87 135.00 131.86 1u1c s PRO 125 Ca -0.03 1.69 0.21 0.00 0.04 0.00 0.00 61.00 62.91 1u1c s PRO 125 Cb -0.04 -1.78 1.17 0.00 0.04 0.00 0.00 34.50 33.89 1u1c s PRO 125 CO 0.03 -2.22 1.81 1.25 0.04 0.00 0.00 177.00 177.91 1u1c h LEU 126 N -1.01 0.36 -2.42 -3.56 5.85 -1.93 -0.46 115.31 112.13 1u1c h LEU 126 Ca -0.46 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1u1c h LEU 126 Cb 1.29 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1u1c h LEU 126 CO 0.46 0.10 -0.03 1.05 -0.34 0.00 0.00 178.44 179.68 1u1c h GLU 127 N 0.33 0.00 -6.51 1.25 9.09 -2.03 -3.43 114.58 113.29 1u1c h GLU 127 Ca 0.53 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.41 1u1c h GLU 127 Cb 1.47 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.58 1u1c h GLU 127 CO -0.20 0.03 0.63 0.12 0.05 0.00 0.00 179.01 179.63 1u1c s PHE 128 N -4.26 3.36 0.10 2.06 2.19 -0.18 -4.99 117.98 116.26 1u1c s PHE 128 Ca -0.04 1.16 -0.30 0.00 0.33 0.00 0.00 56.93 58.08 1u1c s PHE 128 Cb 0.13 -3.52 -0.06 0.00 -1.31 0.00 0.00 43.02 38.25 1u1c s PHE 128 CO 0.51 -1.72 1.19 -1.25 1.83 0.00 0.00 175.22 175.78 1u1c s PRO 129 N 1.06 4.46 -1.35 10.12 0.04 -1.26 -4.92 135.00 143.15 1u1c s PRO 129 Ca 0.61 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 1u1c s PRO 129 Cb -0.32 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 1u1c s PRO 129 CO 0.30 -0.20 2.48 0.00 0.04 0.00 0.00 177.00 179.62 1u1c n ALA 130 N 3.52 5.99 -2.61 8.56 0.00 -1.26 -4.75 120.51 129.95 1u1c n ALA 130 Ca 0.08 -3.30 -0.37 0.00 0.00 0.00 0.00 53.44 49.85 1u1c n ALA 130 Cb 0.46 -3.38 -0.06 0.00 0.00 0.00 0.00 19.45 16.47 1u1c n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1c s VAL 131 N 3.01 5.16 0.47 0.00 0.11 -1.26 -1.07 120.40 126.82 1u1c s VAL 131 Ca 0.56 0.58 -0.16 0.00 -2.93 0.00 0.00 61.98 60.03 1u1c s VAL 131 Cb 0.15 -3.63 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 1u1c s VAL 131 CO -0.04 0.50 0.93 0.00 -3.33 0.00 0.00 175.10 173.16 1u1c s ALA 132 N -1.16 3.12 0.33 1.54 0.00 0.45 -4.68 121.76 121.36 1u1c s ALA 132 Ca 0.24 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1u1c s ALA 132 Cb -0.15 -3.04 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 1u1c s ALA 132 CO 0.13 -0.08 1.44 0.34 0.00 0.00 0.00 175.76 177.59 1u1c s ASP 133 N -2.84 6.52 0.19 0.00 2.15 -0.27 -4.92 116.67 117.49 1u1c s ASP 133 Ca 0.58 2.87 -0.09 0.00 0.43 0.00 0.00 52.55 56.34 1u1c s ASP 133 Cb -0.10 -2.65 0.09 0.00 -0.30 0.00 0.00 42.92 39.96 1u1c s ASP 133 CO 0.26 -0.75 1.69 0.15 -0.17 0.00 0.00 175.17 176.35 1u1c h PHE 134 N 3.68 1.15 -0.58 -5.34 3.04 -1.96 -1.41 116.94 115.52 1u1c h PHE 134 Ca -0.49 -0.15 -0.08 0.00 3.98 0.00 0.00 57.97 61.22 1u1c h PHE 134 Cb 1.23 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1u1c h PHE 134 CO 0.56 0.96 0.03 0.93 -2.02 0.00 0.00 178.31 178.77 1u1c h GLU 135 N 1.01 1.01 -0.27 1.11 5.08 -1.96 -1.36 114.58 119.20 1u1c h GLU 135 Ca 0.20 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1u1c h GLU 135 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1u1c h GLU 135 CO 0.01 0.98 0.03 0.00 -1.00 0.00 0.00 179.01 179.04 1u1c h THR 137 N 0.25 1.18 -0.27 0.00 2.02 -1.22 -1.67 112.91 113.20 1u1c h THR 137 Ca 0.08 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.82 1u1c h THR 137 Cb 0.35 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1u1c h THR 137 CO 0.01 0.19 -0.01 0.74 0.37 0.00 0.00 175.52 176.82 1u1c h THR 138 N 0.56 0.80 -0.27 3.16 2.02 -1.21 -1.31 112.91 116.67 1u1c h THR 138 Ca 0.15 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1u1c h THR 138 Cb 0.11 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1u1c h THR 138 CO -0.02 0.01 -0.03 0.00 0.37 0.00 0.00 175.52 175.85 1u1c h ALA 139 N 1.24 1.46 -0.10 6.16 0.00 -1.08 0.52 119.26 127.46 1u1c h ALA 139 Ca 0.13 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1u1c h ALA 139 Cb 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u1c h ALA 139 CO -0.22 0.38 -0.84 -0.07 0.00 0.00 0.00 179.25 178.50 1u1c h LEU 140 N 0.39 0.83 -0.33 0.00 3.38 -0.97 -1.52 115.31 117.08 1u1c h LEU 140 Ca 0.09 -0.58 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1u1c h LEU 140 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1u1c h LEU 140 CO 0.01 1.37 -0.31 0.58 0.09 0.00 0.00 178.44 180.18 1u1c h VAL 141 N 0.44 1.29 -0.34 1.22 2.07 -0.94 -1.79 116.25 118.19 1u1c h VAL 141 Ca -0.07 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 1u1c h VAL 141 Cb 1.46 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1u1c h VAL 141 CO 0.16 0.48 -0.16 -0.33 0.02 0.00 0.00 177.57 177.75 1u1c h GLU 142 N 0.57 0.62 -0.15 1.57 5.08 -0.94 -2.68 114.58 118.66 1u1c h GLU 142 Ca 0.06 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1u1c h GLU 142 Cb 0.89 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1u1c h GLU 142 CO 0.08 0.76 -0.60 0.00 -1.00 0.00 0.00 179.01 178.25 1u1c h ALA 143 N 1.27 0.67 -0.60 3.43 0.00 -1.24 -2.47 119.26 120.33 1u1c h ALA 143 Ca 0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1u1c h ALA 143 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1u1c h ALA 143 CO 0.04 0.70 0.17 0.00 0.00 0.00 0.00 179.25 180.17 1u1c h ALA 144 N 0.97 0.79 0.00 0.00 0.00 -1.16 -2.45 119.26 117.40 1u1c h ALA 144 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1u1c h ALA 144 Cb 1.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1u1c h ALA 144 CO 0.11 0.47 -0.54 -0.22 0.00 0.00 0.00 179.25 179.07 1u1c h LYS 145 N 0.86 0.00 -0.38 0.00 1.63 -1.51 -2.54 116.57 114.63 1u1c h LYS 145 Ca 0.19 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.89 1u1c h LYS 145 Cb 0.31 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1u1c h LYS 145 CO -0.00 0.54 -0.19 1.03 -3.45 0.00 0.00 179.45 177.37 1u1c h SER 146 N 0.00 0.73 0.81 4.20 0.87 -1.07 -2.97 113.55 116.12 1u1c h SER 146 Ca -0.01 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1u1c h SER 146 Cb 1.04 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1u1c h SER 146 CO 0.07 0.91 -0.69 0.16 -0.53 0.00 0.00 176.83 176.75 1u1c h ILE 147 N 0.64 0.00 -3.17 2.23 -0.00 -1.45 -3.49 117.51 112.27 1u1c h ILE 147 Ca 0.10 -0.50 0.00 0.00 -0.00 0.00 0.00 64.86 64.45 1u1c h ILE 147 Cb 0.67 1.04 0.00 0.00 -0.00 0.00 0.00 36.82 38.54 1u1c h ILE 147 CO 0.05 0.00 -0.03 0.61 -0.00 0.00 0.00 178.15 178.78 1u1c n GLY 148 N 1.34 -0.70 3.03 0.16 0.00 -0.97 -5.11 105.19 102.94 1u1c n GLY 148 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1u1c n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1c s ALA 149 N -1.32 0.36 -0.26 4.61 0.00 -1.10 -5.05 121.76 119.00 1u1c s ALA 149 Ca 0.02 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1u1c s ALA 149 Cb -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1u1c s ALA 149 CO 0.06 -0.18 1.63 0.99 0.00 0.00 0.00 175.76 178.26 1u1c s THR 150 N -2.10 3.67 -0.02 0.00 2.01 -1.26 -4.77 115.64 113.16 1u1c s THR 150 Ca -0.08 0.74 0.07 0.00 0.31 0.00 0.00 61.69 62.73 1u1c s THR 150 Cb -0.05 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1u1c s THR 150 CO -0.03 -0.36 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.42 1u1c s THR 151 N 5.57 1.82 -0.04 -0.82 2.01 -1.26 -1.14 115.64 121.79 1u1c s THR 151 Ca 0.72 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1u1c s THR 151 Cb -0.23 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 1u1c s THR 151 CO 0.30 0.51 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.59 1u1c s HIS 152 N -0.48 1.61 -0.13 4.92 3.76 -0.78 -5.00 115.29 119.20 1u1c s HIS 152 Ca 0.07 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 1u1c s HIS 152 Cb -0.09 -1.09 -0.00 0.00 1.11 0.00 0.00 32.58 32.51 1u1c s HIS 152 CO -0.00 -0.14 -0.19 0.08 -0.85 0.00 0.00 174.74 173.63 1u1c s VAL 153 N 0.01 2.40 -2.13 -0.90 1.01 -1.26 -1.35 120.40 118.18 1u1c s VAL 153 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1u1c s VAL 153 Cb -0.11 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1u1c s VAL 153 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1c n GLY 154 N 3.80 -0.63 3.82 4.51 0.00 -1.02 -4.98 105.19 110.69 1u1c n GLY 154 Ca -0.19 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 1u1c n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1c s VAL 155 N -3.67 4.69 -0.05 1.61 1.01 -1.26 -1.54 120.40 121.19 1u1c s VAL 155 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.17 1u1c s VAL 155 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1u1c s VAL 155 CO 0.00 0.31 -0.23 -0.89 0.00 0.00 0.00 175.10 174.30 1u1c s THR 156 N -1.39 1.85 -0.34 3.92 2.01 -0.82 -1.38 115.64 119.49 1u1c s THR 156 Ca 0.38 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 1u1c s THR 156 Cb -0.17 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1u1c s THR 156 CO 0.20 0.52 0.72 0.00 -0.69 0.00 0.00 174.62 175.37 1u1c s ALA 157 N -0.14 3.47 -0.41 7.40 0.00 -0.18 0.21 121.76 132.12 1u1c s ALA 157 Ca -0.02 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1u1c s ALA 157 Cb -0.13 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1u1c s ALA 157 CO 0.03 -1.33 0.25 0.45 0.00 0.00 0.00 175.76 175.16 1u1c s SER 158 N 1.75 5.67 -0.09 0.00 0.15 -0.64 -1.80 113.70 118.74 1u1c s SER 158 Ca 0.29 -1.40 -0.03 0.00 0.70 0.00 0.00 55.95 55.51 1u1c s SER 158 Cb -0.14 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1u1c s SER 158 CO 0.15 -0.51 0.04 -0.55 1.20 0.00 0.00 173.24 173.56 1u1c s SER 159 N 2.02 5.53 0.00 5.45 0.15 0.29 -1.55 113.70 125.59 1u1c s SER 159 Ca 0.03 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.04 1u1c s SER 159 Cb -0.22 -1.62 0.86 0.00 -1.71 0.00 0.00 66.02 63.33 1u1c s SER 159 CO 0.03 0.38 1.34 0.47 1.20 0.00 0.00 173.24 176.67 1u1c n ASP 160 N 2.06 0.00 -3.85 5.45 9.92 -0.57 -4.33 116.55 125.24 1u1c n ASP 160 Ca -0.19 -0.93 -0.12 0.00 -0.53 0.00 0.00 54.79 53.03 1u1c n ASP 160 Cb 0.54 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.91 1u1c n ASP 160 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1u1c s THR 161 N -2.00 0.04 0.04 -3.53 2.01 -1.26 -5.02 115.64 105.92 1u1c s THR 161 Ca 0.22 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 1u1c s THR 161 Cb 0.10 -0.32 -0.28 0.00 0.01 0.00 0.00 72.50 72.01 1u1c s THR 161 CO 0.17 -0.18 1.02 0.15 -0.69 0.00 0.00 174.62 175.08 1u1c h PHE 162 N 5.14 0.47 0.00 4.92 3.57 -1.97 -3.39 116.94 125.69 1u1c h PHE 162 Ca -0.28 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 60.88 1u1c h PHE 162 Cb 1.20 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1u1c h PHE 162 CO 0.50 1.32 0.00 0.66 -2.23 0.00 0.00 178.31 178.56 1u1c n TYR 163 N -3.49 0.00 -0.28 0.41 4.02 -1.26 -4.32 117.16 112.24 1u1c n TYR 163 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.81 1u1c n TYR 163 Cb 1.03 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 40.60 1u1c n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1c h PRO 164 N 0.00 0.98 0.00 -0.72 0.13 -1.88 -0.32 132.00 130.18 1u1c h PRO 164 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1u1c h PRO 164 Cb 0.00 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 30.91 1u1c h PRO 164 CO 0.00 0.65 0.00 0.78 -0.23 0.00 0.00 178.00 179.20 1u1c h GLY 165 N 1.01 0.00 -1.66 1.56 0.00 -1.86 -0.94 103.07 101.18 1u1c h GLY 165 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1u1c h GLY 165 CO -0.12 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.36 1u1c n GLN 166 N -2.32 2.99 -3.96 4.80 6.02 -0.62 -4.93 117.38 119.36 1u1c n GLN 166 Ca 0.02 -2.83 -0.34 0.00 -0.01 0.00 0.00 57.00 53.85 1u1c n GLN 166 Cb 0.24 -1.84 -0.00 0.00 1.02 0.00 0.00 30.24 29.66 1u1c n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1c n GLU 167 N -0.43 -1.54 -3.46 -1.09 2.13 -0.36 -4.93 120.64 110.96 1u1c n GLU 167 Ca 0.21 0.29 -0.37 0.00 0.66 0.00 0.00 57.16 57.95 1u1c n GLU 167 Cb 0.89 -3.75 -0.07 0.00 0.27 0.00 0.00 31.44 28.78 1u1c n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1c s ARG 168 N -6.74 4.24 -0.00 5.31 0.52 -0.23 -4.98 118.95 117.07 1u1c s ARG 168 Ca 0.27 0.24 0.14 0.00 -0.52 0.00 0.00 55.73 55.86 1u1c s ARG 168 Cb -0.12 -3.41 -0.17 0.00 0.52 0.00 0.00 34.95 31.78 1u1c s ARG 168 CO 0.92 0.26 0.57 0.66 0.02 0.00 0.00 175.30 177.73 1u1c n TYR 169 N 3.44 0.00 -1.71 -0.53 4.02 -1.26 -4.33 117.16 116.78 1u1c n TYR 169 Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.37 1u1c n TYR 169 Cb 0.52 -0.04 -0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1u1c n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1c n ASP 170 N -1.43 4.04 -3.56 7.72 5.75 -1.26 -4.23 116.55 123.58 1u1c n ASP 170 Ca 0.02 -2.83 -0.22 0.00 -0.01 0.00 0.00 54.79 51.75 1u1c n ASP 170 Cb 0.24 -1.65 -0.07 0.00 -1.03 0.00 0.00 41.12 38.61 1u1c n ASP 170 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1u1c n THR 171 N 5.05 0.00 -0.12 2.12 -2.24 -1.26 -5.02 114.28 112.81 1u1c n THR 171 Ca 0.53 -2.35 -0.09 0.00 -2.27 0.00 0.00 64.05 59.87 1u1c n THR 171 Cb 0.38 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1u1c n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1c h TYR 172 N 1.82 0.50 0.20 4.78 5.03 -1.99 -3.23 116.97 124.08 1u1c h TYR 172 Ca -0.28 -0.01 -0.32 0.00 2.58 0.00 0.00 58.73 60.71 1u1c h TYR 172 Cb 1.18 -0.16 0.02 0.00 1.55 0.00 0.00 36.73 39.32 1u1c h TYR 172 CO 0.00 0.37 -1.46 0.66 -1.32 0.00 0.00 178.16 176.41 1u1c h SER 173 N 0.48 0.66 0.00 -2.11 4.64 -1.97 -3.47 113.55 111.77 1u1c h SER 173 Ca 0.13 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1u1c h SER 173 Cb 0.03 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1u1c h SER 173 CO -0.02 1.60 0.00 0.61 -0.87 0.00 0.00 176.83 178.15 1u1c n GLY 174 N 1.68 0.45 3.49 -0.77 0.00 -1.22 -5.02 105.19 103.79 1u1c n GLY 174 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1u1c n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1c s ARG 175 N -0.37 1.76 -0.07 1.61 1.70 -1.26 -4.91 118.95 117.41 1u1c s ARG 175 Ca 0.00 -1.38 0.04 0.00 -0.47 0.00 0.00 55.73 53.92 1u1c s ARG 175 Cb 0.00 -2.00 -0.00 0.00 -0.57 0.00 0.00 34.95 32.38 1u1c s ARG 175 CO 0.00 0.42 -0.20 0.08 -1.08 0.00 0.00 175.30 174.53 1u1c s VAL 176 N -1.61 1.68 0.47 4.99 1.01 -1.26 -4.92 120.40 120.75 1u1c s VAL 176 Ca 0.22 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1u1c s VAL 176 Cb -0.09 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 1u1c s VAL 176 CO 0.12 0.48 1.22 0.55 0.00 0.00 0.00 175.10 177.47 1u1c n VAL 177 N 3.32 2.91 -0.30 2.92 3.14 -1.26 -4.67 118.33 124.39 1u1c n VAL 177 Ca -0.19 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 60.79 1u1c n VAL 177 Cb 0.53 -1.49 0.23 0.00 -1.06 0.00 0.00 33.84 32.04 1u1c n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1c h ARG 178 N 1.72 0.09 -0.97 1.45 2.43 -2.00 -0.47 114.38 116.63 1u1c h ARG 178 Ca -0.48 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.85 1u1c h ARG 178 Cb 1.31 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.75 1u1c h ARG 178 CO 0.58 0.06 0.61 1.25 -1.51 0.00 0.00 179.97 180.96 1u1c h HIS 179 N 0.09 0.97 -0.10 2.20 2.76 -2.02 -2.00 115.15 117.04 1u1c h HIS 179 Ca 0.51 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 1u1c h HIS 179 Cb 0.98 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1u1c h HIS 179 CO -0.43 0.28 0.00 1.19 -1.30 0.00 0.00 177.93 177.67 1u1c n PHE 180 N -4.66 0.10 -2.01 5.26 3.01 -0.25 -4.81 117.46 114.10 1u1c n PHE 180 Ca 0.21 -0.05 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 1u1c n PHE 180 Cb 0.53 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 1u1c n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1c s LYS 181 N -1.77 4.21 -0.66 -1.08 -0.14 -0.75 -2.31 119.74 117.23 1u1c s LYS 181 Ca 0.28 2.21 0.00 0.00 -1.36 0.00 0.00 55.97 57.10 1u1c s LYS 181 Cb 0.19 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 32.59 1u1c s LYS 181 CO 0.28 -0.75 0.00 0.41 -0.76 0.00 0.00 175.35 174.54 1u1c n GLY 182 N 3.98 0.84 0.18 -3.33 0.00 -1.26 -4.93 105.19 100.67 1u1c n GLY 182 Ca 0.16 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1u1c n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1c h SER 183 N 0.00 0.69 -0.52 1.61 4.64 -1.77 -3.14 113.55 115.06 1u1c h SER 183 Ca -0.13 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1u1c h SER 183 Cb 0.53 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1u1c h SER 183 CO 0.19 1.30 0.34 -0.03 -0.87 0.00 0.00 176.83 177.76 1u1c h MET 184 N 0.34 0.68 -0.66 4.77 -1.53 -1.92 -1.28 114.93 115.33 1u1c h MET 184 Ca -0.08 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.14 1u1c h MET 184 Cb 1.52 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 32.38 1u1c h MET 184 CO 0.17 0.46 0.43 1.49 0.14 0.00 0.00 176.91 179.59 1u1c h GLU 185 N 0.70 0.87 -0.24 0.39 4.81 -1.98 0.66 114.58 119.80 1u1c h GLU 185 Ca 0.19 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1u1c h GLU 185 Cb -0.07 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1u1c h GLU 185 CO -0.04 0.58 -0.02 0.93 -0.73 0.00 0.00 179.01 179.73 1u1c h GLU 186 N 0.89 0.43 -0.72 1.92 4.39 -1.37 -2.02 114.58 118.10 1u1c h GLU 186 Ca 0.24 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 1u1c h GLU 186 Cb -0.09 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1u1c h GLU 186 CO -0.05 0.63 0.25 -1.49 -1.16 0.00 0.00 179.01 177.19 1u1c h TRP 187 N 0.19 1.13 -0.14 4.33 -0.00 -0.88 -1.79 115.95 118.80 1u1c h TRP 187 Ca 0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 1u1c h TRP 187 Cb 0.45 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 1u1c h TRP 187 CO 0.04 0.88 0.09 1.96 -0.00 0.00 0.00 178.44 181.41 1u1c h GLN 188 N 1.06 0.18 0.00 0.49 4.20 -0.81 -0.82 115.11 119.42 1u1c h GLN 188 Ca 0.24 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 1u1c h GLN 188 Cb 0.26 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1u1c h GLN 188 CO -0.01 0.12 -0.22 0.00 -0.67 0.00 0.00 178.83 178.04 1u1c h ALA 189 N 1.05 1.56 -0.01 3.87 0.00 -1.24 -2.21 119.26 122.27 1u1c h ALA 189 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1u1c h ALA 189 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1u1c h ALA 189 CO -0.01 0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.19 1u1c n MET 190 N -4.17 1.15 -0.87 0.00 2.81 -0.68 -4.91 117.12 110.44 1u1c n MET 190 Ca -0.02 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 1u1c n MET 190 Cb 0.29 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1u1c n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1c n GLY 191 N 1.00 0.53 3.71 3.03 0.00 -0.83 -5.02 105.19 107.62 1u1c n GLY 191 Ca 0.21 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1u1c n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1c s VAL 192 N -2.00 2.94 0.06 1.61 1.01 -0.36 -4.56 120.40 119.09 1u1c s VAL 192 Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1u1c s VAL 192 Cb 0.00 -3.42 -0.29 0.00 0.00 0.00 0.00 36.38 32.67 1u1c s VAL 192 CO 0.00 0.05 1.11 0.24 0.00 0.00 0.00 175.10 176.50 1u1c h MET 193 N 6.89 0.53 -2.77 2.72 0.00 -1.55 -3.42 114.93 117.33 1u1c h MET 193 Ca -0.42 -0.75 0.10 0.00 0.00 0.00 0.00 59.70 58.63 1u1c h MET 193 Cb 1.21 0.26 -0.07 0.00 0.00 0.00 0.00 31.60 32.99 1u1c h MET 193 CO 0.89 1.34 0.32 0.54 0.00 0.00 0.00 176.91 180.00 1u1c s ASN 194 N -7.37 -0.26 -0.11 1.22 6.03 -1.26 -1.02 114.94 112.16 1u1c s ASN 194 Ca -0.08 -0.47 0.01 0.00 -1.03 0.00 0.00 52.86 51.29 1u1c s ASN 194 Cb 0.06 0.63 -0.02 0.00 -3.03 0.00 0.00 41.25 38.89 1u1c s ASN 194 CO 0.92 -1.15 -0.13 -0.31 -2.03 0.00 0.00 177.10 174.40 1u1c s TYR 195 N -3.68 2.79 0.00 1.54 1.51 -0.10 -1.01 117.35 118.40 1u1c s TYR 195 Ca 0.10 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1u1c s TYR 195 Cb -0.04 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1u1c s TYR 195 CO 0.03 -0.08 0.00 -0.85 -1.11 0.00 0.00 175.55 173.54 1u1c n GLU 196 N 3.15 0.00 0.00 -0.62 -0.00 -0.74 -2.59 120.64 119.83 1u1c n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1c n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1c n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1c n MET 197 N 0.00 0.84 0.00 3.44 2.81 -1.26 -0.55 117.12 122.40 1u1c n MET 197 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 57.70 55.14 1u1c n MET 197 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 1u1c n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1c n GLU 198 N -0.15 2.97 -0.26 0.03 4.71 -1.26 -3.39 120.64 123.29 1u1c n GLU 198 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1u1c n GLU 198 Cb 0.37 -0.69 0.05 0.00 -1.01 0.00 0.00 31.44 30.16 1u1c n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1c h SER 199 N 0.00 0.90 -0.69 1.62 4.64 -1.95 -2.55 113.55 115.52 1u1c h SER 199 Ca 0.00 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1u1c h SER 199 Cb 0.13 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 1u1c h SER 199 CO 0.00 0.75 0.45 0.00 -0.87 0.00 0.00 176.83 177.16 1u1c h ALA 200 N 1.19 0.89 0.06 5.18 0.00 -1.88 0.18 119.26 124.88 1u1c h ALA 200 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1u1c h ALA 200 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1u1c h ALA 200 CO -0.04 0.26 -0.03 1.15 0.00 0.00 0.00 179.25 180.59 1u1c h THR 201 N 0.90 1.13 0.09 0.00 2.02 -1.90 -2.16 112.91 112.99 1u1c h THR 201 Ca 0.27 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1u1c h THR 201 Cb -0.05 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1u1c h THR 201 CO -0.08 0.17 -0.09 0.25 0.37 0.00 0.00 175.52 176.15 1u1c h LEU 202 N -0.40 -0.23 -0.54 2.58 5.85 -1.21 -1.45 115.31 119.91 1u1c h LEU 202 Ca -0.01 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1u1c h LEU 202 Cb 0.35 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1u1c h LEU 202 CO 0.01 -0.14 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.84 1u1c h LEU 203 N -0.20 0.99 -0.07 2.25 3.38 -0.73 -1.91 115.31 119.03 1u1c h LEU 203 Ca 0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1u1c h LEU 203 Cb 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1u1c h LEU 203 CO -0.03 1.09 0.01 0.74 0.09 0.00 0.00 178.44 180.35 1u1c h THR 204 N 0.87 1.21 0.00 0.22 2.02 -1.35 -1.47 112.91 114.41 1u1c h THR 204 Ca 0.14 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1u1c h THR 204 Cb 0.62 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1u1c h THR 204 CO 0.04 0.18 -0.31 0.00 0.37 0.00 0.00 175.52 175.80 1u1c h MET 205 N -0.12 0.00 0.10 6.66 -0.00 -1.22 -2.14 114.93 118.21 1u1c h MET 205 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.56 1u1c h MET 205 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.88 1u1c h MET 205 CO 0.00 0.31 -0.74 0.00 -0.00 0.00 0.00 176.91 176.48 1u1c h ALA 207 N 0.02 1.24 -0.39 0.00 0.00 -1.23 -0.50 119.26 118.40 1u1c h ALA 207 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1u1c h ALA 207 Cb 1.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1u1c h ALA 207 CO 0.09 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1u1c n SER 208 N -3.60 3.13 -0.12 0.00 3.41 -0.81 -4.32 113.62 111.32 1u1c n SER 208 Ca -0.02 -1.95 0.01 0.00 -0.26 0.00 0.00 58.87 56.66 1u1c n SER 208 Cb 0.26 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1u1c n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1c n GLN 209 N 1.26 0.76 -1.14 4.33 6.02 -0.86 -5.01 117.38 122.74 1u1c n GLN 209 Ca 0.19 -1.02 -0.05 0.00 -0.01 0.00 0.00 57.00 56.11 1u1c n GLN 209 Cb 0.55 -0.70 -0.02 0.00 1.02 0.00 0.00 30.24 31.08 1u1c n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1c n GLY 210 N -0.24 0.76 3.75 1.08 0.00 -0.98 -5.02 105.19 104.53 1u1c n GLY 210 Ca 0.02 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1u1c n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1c s LEU 211 N -1.13 3.83 0.01 0.99 1.43 -0.25 -5.05 118.68 118.51 1u1c s LEU 211 Ca 0.00 0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 1u1c s LEU 211 Cb 0.00 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1u1c s LEU 211 CO 0.00 0.36 0.85 -0.13 0.23 0.00 0.00 176.35 177.66 1u1c s ARG 212 N -1.10 4.53 -0.01 1.70 0.52 -0.56 -3.88 118.95 120.14 1u1c s ARG 212 Ca 0.16 1.19 0.01 0.00 -0.52 0.00 0.00 55.73 56.57 1u1c s ARG 212 Cb -0.12 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1u1c s ARG 212 CO 0.05 0.09 -0.05 0.00 0.02 0.00 0.00 175.30 175.42 1u1c s ALA 213 N 0.58 0.47 0.17 2.13 0.00 -1.26 -0.48 121.76 123.36 1u1c s ALA 213 Ca 0.44 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1u1c s ALA 213 Cb -0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1u1c s ALA 213 CO 0.24 0.07 -0.18 0.20 0.00 0.00 0.00 175.76 176.10 1u1c s GLY 214 N 0.16 1.39 -0.05 0.00 0.00 0.18 -1.12 107.32 107.88 1u1c s GLY 214 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1u1c s GLY 214 CO -0.00 -1.55 -0.02 -0.29 0.00 0.00 0.00 173.10 171.24 1u1c s MET 215 N -2.83 0.62 0.02 2.90 1.75 -1.26 -0.91 119.30 119.58 1u1c s MET 215 Ca 0.16 0.01 0.01 0.00 -1.25 0.00 0.00 55.69 54.62 1u1c s MET 215 Cb -0.05 -0.77 -0.01 0.00 2.84 0.00 0.00 34.83 36.83 1u1c s MET 215 CO 0.07 -0.16 -0.05 0.54 -0.65 0.00 0.00 175.02 174.77 1u1c s VAL 216 N 1.24 0.31 -0.08 10.11 0.11 0.01 -2.16 120.40 129.94 1u1c s VAL 216 Ca -0.06 -0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 58.28 1u1c s VAL 216 Cb -0.14 -0.35 0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1u1c s VAL 216 CO -0.02 -0.19 0.29 0.00 -3.33 0.00 0.00 175.10 171.84 1u1c s ALA 217 N -0.78 -0.71 -0.11 1.54 0.00 -0.54 -1.41 121.76 119.75 1u1c s ALA 217 Ca -0.06 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 1u1c s ALA 217 Cb -0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1u1c s ALA 217 CO -0.00 -0.17 0.27 0.20 0.00 0.00 0.00 175.76 176.06 1u1c s GLY 218 N -0.31 2.26 -0.26 0.00 0.00 -1.01 -0.19 107.32 107.81 1u1c s GLY 218 Ca -0.04 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 43.94 1u1c s GLY 218 CO 0.01 0.12 1.01 0.14 0.00 0.00 0.00 173.10 174.38 1u1c s VAL 219 N -0.36 4.66 -0.46 1.40 1.01 0.17 -2.58 120.40 124.23 1u1c s VAL 219 Ca 0.18 1.83 0.10 0.00 0.00 0.00 0.00 61.98 64.08 1u1c s VAL 219 Cb -0.14 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 1u1c s VAL 219 CO 0.06 -0.26 0.42 2.30 0.00 0.00 0.00 175.10 177.62 1u1c n ILE 220 N 5.49 0.00 -3.72 2.22 -5.35 -1.06 -0.04 119.36 116.90 1u1c n ILE 220 Ca 0.11 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.18 1u1c n ILE 220 Cb 0.47 0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 1u1c n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1c s VAL 221 N -1.97 0.03 -0.18 7.28 0.11 -1.24 -4.66 120.40 119.78 1u1c s VAL 221 Ca 0.04 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1u1c s VAL 221 Cb 0.08 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1u1c s VAL 221 CO 0.41 -0.14 -0.19 0.21 -3.33 0.00 0.00 175.10 172.07 1u1c s ASN 222 N -0.77 3.26 0.54 3.54 3.84 -1.26 -0.87 114.94 123.21 1u1c s ASN 222 Ca -0.09 -0.61 0.33 0.00 0.21 0.00 0.00 52.86 52.70 1u1c s ASN 222 Cb -0.04 -1.50 1.38 0.00 -0.55 0.00 0.00 41.25 40.54 1u1c s ASN 222 CO 0.04 0.01 1.99 0.03 -2.79 0.00 0.00 177.10 176.39 1u1c h ARG 223 N 7.83 0.00 -0.00 0.43 2.47 -0.92 -1.52 114.38 122.67 1u1c h ARG 223 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1u1c h ARG 223 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1u1c h ARG 223 CO 0.62 0.05 -0.29 0.25 0.56 0.00 0.00 179.97 181.15 1u1c n THR 224 N -3.18 0.00 0.00 2.04 -2.24 -1.26 -4.66 114.28 104.98 1u1c n THR 224 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1u1c n THR 224 Cb 0.30 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1u1c n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1c n GLN 225 N -1.13 0.00 -4.53 -0.78 6.02 -0.81 -5.07 117.38 111.07 1u1c n GLN 225 Ca 0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.82 1u1c n GLN 225 Cb 0.33 -0.07 -0.08 0.00 1.02 0.00 0.00 30.24 31.45 1u1c n GLN 225 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1u1c s GLN 226 N -0.97 2.01 0.00 -1.09 -1.52 -0.64 -5.07 119.66 112.38 1u1c s GLN 226 Ca 0.00 -2.25 0.00 0.00 -1.95 0.00 0.00 55.36 51.16 1u1c s GLN 226 Cb 0.00 -0.57 0.00 0.00 -0.22 0.00 0.00 33.01 32.22 1u1c s GLN 226 CO 0.00 -0.54 0.00 -1.91 -0.25 0.00 0.00 175.29 172.59 1u1c n GLU 227 N -0.97 0.87 -3.21 2.91 4.07 -1.26 -4.28 120.64 118.77 1u1c n GLU 227 Ca -0.07 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.60 1u1c n GLU 227 Cb 0.64 -0.64 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 1u1c n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1c s ILE 228 N -1.27 4.95 0.56 6.31 1.01 -1.26 -5.03 121.20 126.47 1u1c s ILE 228 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 1u1c s ILE 228 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1u1c s ILE 228 CO 0.00 -0.56 1.02 -2.84 0.00 0.00 0.00 174.94 172.56 1u1c s PRO 229 N 2.49 3.62 0.16 2.79 0.02 -1.26 -5.05 135.00 137.77 1u1c s PRO 229 Ca 0.17 1.04 -0.26 0.00 0.02 0.00 0.00 61.00 61.96 1u1c s PRO 229 Cb -0.16 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 32.20 1u1c s PRO 229 CO 0.15 -0.55 0.80 1.21 -0.33 0.00 0.00 177.00 178.29 1u1c s ASN 230 N -3.08 7.40 0.12 2.53 3.84 -1.26 -5.00 114.94 119.48 1u1c s ASN 230 Ca 0.60 1.66 -0.16 0.00 0.21 0.00 0.00 52.86 55.17 1u1c s ASN 230 Cb -0.13 -2.51 -0.03 0.00 -0.55 0.00 0.00 41.25 38.04 1u1c s ASN 230 CO 0.36 0.17 1.62 0.00 -2.79 0.00 0.00 177.10 176.46 1u1c h ALA 231 N 4.54 0.48 -0.37 1.71 0.00 -2.00 -1.83 119.26 121.79 1u1c h ALA 231 Ca -0.46 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1u1c h ALA 231 Cb 1.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1u1c h ALA 231 CO 0.67 0.15 0.05 1.49 0.00 0.00 0.00 179.25 181.61 1u1c h GLU 232 N 0.43 0.62 -0.34 0.00 4.81 -2.01 -2.98 114.58 115.12 1u1c h GLU 232 Ca 0.11 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1u1c h GLU 232 Cb 0.31 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1u1c h GLU 232 CO 0.00 0.69 0.03 1.15 -0.73 0.00 0.00 179.01 180.16 1u1c h THR 233 N 0.46 1.18 -0.48 0.32 2.02 -1.97 -2.63 112.91 111.82 1u1c h THR 233 Ca 0.11 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 1u1c h THR 233 Cb 0.38 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1u1c h THR 233 CO 0.01 0.24 0.15 0.24 0.37 0.00 0.00 175.52 176.53 1u1c h MET 234 N 0.50 0.74 -0.28 6.66 2.86 -1.23 -1.63 114.93 122.54 1u1c h MET 234 Ca 0.11 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1u1c h MET 234 Cb 0.27 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1u1c h MET 234 CO 0.00 0.70 -0.38 0.87 1.06 0.00 0.00 176.91 179.16 1u1c h LYS 235 N 0.64 0.66 -0.22 1.72 1.57 -1.37 -2.44 116.57 117.14 1u1c h LYS 235 Ca 0.15 -0.33 -0.17 0.00 -1.87 0.00 0.00 60.65 58.43 1u1c h LYS 235 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1u1c h LYS 235 CO -0.01 0.94 -0.55 1.96 -0.57 0.00 0.00 179.45 181.22 1u1c h GLN 236 N 0.55 0.65 -0.40 3.15 4.20 -1.42 -2.51 115.11 119.32 1u1c h GLN 236 Ca 0.05 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 1u1c h GLN 236 Cb 0.91 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1u1c h GLN 236 CO 0.08 1.03 0.05 1.15 -0.67 0.00 0.00 178.83 180.46 1u1c h THR 237 N 0.50 1.25 -0.74 -0.54 2.02 -1.25 -2.08 112.91 112.06 1u1c h THR 237 Ca 0.01 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1u1c h THR 237 Cb 1.11 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1u1c h THR 237 CO 0.11 0.31 0.42 -0.08 0.37 0.00 0.00 175.52 176.65 1u1c h GLU 238 N 0.52 1.02 -0.18 6.66 4.81 -1.45 -2.15 114.58 123.82 1u1c h GLU 238 Ca 0.12 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1u1c h GLU 238 Cb 0.40 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1u1c h GLU 238 CO 0.01 0.75 -0.22 1.03 -0.73 0.00 0.00 179.01 179.85 1u1c h SER 239 N 1.02 0.31 -0.09 1.04 0.87 -1.32 -1.35 113.55 114.02 1u1c h SER 239 Ca 0.26 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 1u1c h SER 239 Cb 0.01 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1u1c h SER 239 CO -0.04 0.55 -0.10 0.45 -0.53 0.00 0.00 176.83 177.16 1u1c h HIS 240 N 0.29 0.28 -0.11 2.24 3.86 -1.13 -2.81 115.15 117.76 1u1c h HIS 240 Ca 0.05 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 1u1c h HIS 240 Cb 0.56 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1u1c h HIS 240 CO 0.01 0.66 -0.34 0.00 0.86 0.00 0.00 177.93 179.12 1u1c h ALA 241 N 0.57 1.22 -0.34 2.45 0.00 -1.29 -2.66 119.26 119.20 1u1c h ALA 241 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1u1c h ALA 241 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u1c h ALA 241 CO 0.02 0.53 -0.38 0.28 0.00 0.00 0.00 179.25 179.70 1u1c h VAL 242 N 0.19 1.28 -0.33 0.00 2.07 -1.30 -2.08 116.25 116.08 1u1c h VAL 242 Ca 0.02 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.93 1u1c h VAL 242 Cb 0.70 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1u1c h VAL 242 CO 0.05 0.51 -0.02 0.11 0.02 0.00 0.00 177.57 178.24 1u1c h LYS 243 N 0.67 0.52 -0.11 1.57 1.57 -1.32 -2.28 116.57 117.19 1u1c h LYS 243 Ca 0.06 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1u1c h LYS 243 Cb 0.95 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1u1c h LYS 243 CO 0.09 0.57 -0.11 0.82 -0.57 0.00 0.00 179.45 180.25 1u1c h ILE 244 N 0.50 1.35 -0.19 1.86 2.04 -1.28 -2.50 117.51 119.28 1u1c h ILE 244 Ca 0.11 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1u1c h ILE 244 Cb 0.36 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1u1c h ILE 244 CO 0.01 0.36 -0.22 1.62 0.00 0.00 0.00 178.15 179.92 1u1c h VAL 245 N -0.12 1.24 -0.18 1.67 3.04 -1.30 -0.02 116.25 120.58 1u1c h VAL 245 Ca 0.02 -1.11 -0.22 0.00 -1.01 0.00 0.00 66.70 64.38 1u1c h VAL 245 Cb 0.62 1.34 0.01 0.00 -2.01 0.00 0.00 31.29 31.25 1u1c h VAL 245 CO 0.03 0.35 -0.73 0.58 -1.01 0.00 0.00 177.57 176.78 1u1c h VAL 246 N 0.31 1.28 -0.25 1.51 2.07 -1.47 -1.93 116.25 117.77 1u1c h VAL 246 Ca 0.05 -1.93 -0.09 0.00 0.82 0.00 0.00 66.70 65.55 1u1c h VAL 246 Cb 0.57 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1u1c h VAL 246 CO 0.04 0.61 -0.24 -0.08 0.02 0.00 0.00 177.57 177.93 1u1c h GLU 247 N 0.57 0.46 -0.40 1.57 4.57 -1.20 -2.68 114.58 117.47 1u1c h GLU 247 Ca -0.04 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 57.85 1u1c h GLU 247 Cb 1.36 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1u1c h GLU 247 CO 0.15 0.67 -0.22 0.00 -1.18 0.00 0.00 179.01 178.43 1u1c h ALA 248 N 1.34 0.85 -0.32 2.92 0.00 -0.95 -2.95 119.26 120.14 1u1c h ALA 248 Ca 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1u1c h ALA 248 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1u1c h ALA 248 CO 0.05 0.64 0.12 0.00 0.00 0.00 0.00 179.25 180.06 1u1c h ALA 249 N 1.04 1.62 -0.98 0.00 0.00 -1.08 -2.59 119.26 117.26 1u1c h ALA 249 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u1c h ALA 249 Cb 0.74 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1u1c h ALA 249 CO 0.06 0.30 0.65 0.00 0.00 0.00 0.00 179.25 180.26 1u1c h ARG 250 N 0.44 1.30 0.00 0.00 3.08 -1.30 -2.49 114.38 115.41 1u1c h ARG 250 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1u1c h ARG 250 Cb 0.10 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1u1c h ARG 250 CO -0.01 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.75 1u1c h ARG 251 N 1.34 0.00 -0.43 0.04 3.08 -1.49 -3.27 114.38 113.65 1u1c h ARG 251 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1u1c h ARG 251 Cb -0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1u1c h ARG 251 CO -0.08 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.10 1u1c n LEU 252 N -2.46 3.16 -0.37 3.04 4.77 -0.95 -5.08 117.00 119.12 1u1c n LEU 252 Ca 0.04 -1.88 0.14 0.00 -0.03 0.00 0.00 56.01 54.29 1u1c n LEU 252 Cb 0.38 -0.28 0.63 0.00 -2.33 0.00 0.00 43.42 41.82 1u1c n LEU 252 CO 0.28 0.77 0.93 0.18 -1.33 0.00 0.00 177.39 178.22