#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1e n ASP 5 N 0.00 0.63 -4.52 -3.46 10.43 -0.75 -4.95 116.55 113.93 1u1e n ASP 5 Ca 0.00 -0.28 -0.25 0.00 2.57 0.00 0.00 54.79 56.83 1u1e n ASP 5 Cb 0.00 0.56 -0.10 0.00 1.84 0.00 0.00 41.12 43.42 1u1e n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1e s VAL 6 N -3.10 2.45 0.01 2.53 -7.23 -1.23 -5.06 120.40 108.77 1u1e s VAL 6 Ca 0.07 -2.26 0.14 0.00 -1.81 0.00 0.00 61.98 58.12 1u1e s VAL 6 Cb 0.16 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1u1e s VAL 6 CO 0.77 -0.30 1.48 -0.26 -0.31 0.00 0.00 175.10 176.48 1u1e h PHE 7 N 2.11 0.00 0.00 2.82 0.05 -1.95 -3.41 116.94 116.56 1u1e h PHE 7 Ca -0.41 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.38 1u1e h PHE 7 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.20 1u1e h PHE 7 CO 0.78 0.60 -0.67 0.72 -0.18 0.00 0.00 178.31 179.55 1u1e n HIS 8 N -3.36 0.00 0.18 -0.55 8.25 -1.26 -4.86 115.22 113.63 1u1e n HIS 8 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.51 1u1e n HIS 8 Cb 0.73 0.06 0.35 0.00 1.12 0.00 0.00 29.99 32.25 1u1e n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1e h LEU 9 N 0.00 0.00 -0.85 2.41 3.38 -1.92 -3.44 115.31 114.89 1u1e h LEU 9 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1u1e h LEU 9 Cb 0.67 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.47 1u1e h LEU 9 CO 0.00 0.40 -0.24 0.61 0.09 0.00 0.00 178.44 179.30 1u1e n GLY 10 N -0.09 0.41 3.29 0.83 0.00 -1.26 -4.66 105.19 103.70 1u1e n GLY 10 Ca -0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1u1e n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1e s LEU 11 N -3.18 2.39 0.36 0.99 1.43 -1.26 -4.79 118.68 114.62 1u1e s LEU 11 Ca 0.20 -0.80 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1u1e s LEU 11 Cb -0.09 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1u1e s LEU 11 CO 0.25 -0.05 0.22 0.42 0.23 0.00 0.00 176.35 177.42 1u1e s THR 12 N -1.84 3.04 0.43 5.49 -4.23 -1.26 -1.80 115.64 115.46 1u1e s THR 12 Ca 0.11 -1.56 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1u1e s THR 12 Cb -0.07 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1u1e s THR 12 CO 0.05 -0.14 2.06 0.50 -0.54 0.00 0.00 174.62 176.55 1u1e h LYS 13 N 1.39 0.45 -0.01 3.99 1.63 -1.96 -2.44 116.57 119.62 1u1e h LYS 13 Ca -0.44 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.21 1u1e h LYS 13 Cb 1.25 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 1u1e h LYS 13 CO 0.62 0.30 -0.59 -0.97 -3.45 0.00 0.00 179.45 175.35 1u1e h ASN 14 N 0.47 0.03 -0.11 4.20 -0.73 -1.95 -3.17 115.58 114.32 1u1e h ASN 14 Ca 0.15 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 1u1e h ASN 14 Cb 0.03 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1u1e h ASN 14 CO -0.03 0.62 0.05 0.44 -0.37 0.00 0.00 177.43 178.13 1u1e h ASP 15 N 0.02 0.19 0.83 1.15 3.45 -1.83 -2.48 116.42 117.75 1u1e h ASP 15 Ca -0.01 -0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.28 1u1e h ASP 15 Cb 1.06 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 1u1e h ASP 15 CO 0.08 0.20 -0.78 -0.07 -1.57 0.00 0.00 179.24 177.10 1u1e h LEU 16 N 0.22 0.00 -0.94 1.55 4.07 -1.61 -3.48 115.31 115.12 1u1e h LEU 16 Ca 0.06 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.60 1u1e h LEU 16 Cb 0.08 0.00 0.10 0.00 1.08 0.00 0.00 40.66 41.92 1u1e h LEU 16 CO -0.00 0.78 -0.71 0.00 -1.08 0.00 0.00 178.44 177.43 1u1e n GLN 17 N -3.57 -7.33 -0.76 1.13 6.02 -0.94 -2.98 117.38 108.96 1u1e n GLN 17 Ca -0.00 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1u1e n GLN 17 Cb 0.76 -5.79 0.00 0.00 1.02 0.00 0.00 30.24 26.23 1u1e n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1e n GLY 18 N -1.89 0.56 3.76 1.08 0.00 -1.26 -4.84 105.19 102.60 1u1e n GLY 18 Ca -0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1u1e n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e s ALA 19 N -2.00 3.53 -0.04 4.61 0.00 -1.16 -4.94 121.76 121.77 1u1e s ALA 19 Ca 0.00 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1u1e s ALA 19 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1u1e s ALA 19 CO 0.00 -0.67 0.06 0.25 0.00 0.00 0.00 175.76 175.40 1u1e n THR 20 N 1.27 0.00 -4.91 0.00 -2.24 -1.26 -4.15 114.28 102.99 1u1e n THR 20 Ca 0.02 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1u1e n THR 20 Cb 0.41 0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 69.22 1u1e n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1e s LEU 21 N -2.64 2.70 -0.03 3.22 0.20 -1.26 -0.15 118.68 120.72 1u1e s LEU 21 Ca -0.00 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.62 1u1e s LEU 21 Cb 0.01 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 1u1e s LEU 21 CO 0.08 0.34 -0.04 0.00 -0.29 0.00 0.00 176.35 176.44 1u1e s ALA 22 N -0.72 0.51 -0.18 5.97 0.00 0.05 -2.55 121.76 124.84 1u1e s ALA 22 Ca 0.11 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 1u1e s ALA 22 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1u1e s ALA 22 CO 0.00 0.02 0.46 0.42 0.00 0.00 0.00 175.76 176.67 1u1e s ILE 23 N 0.58 5.16 -0.51 0.00 1.01 0.01 -1.12 121.20 126.34 1u1e s ILE 23 Ca -0.07 0.86 0.04 0.00 0.00 0.00 0.00 60.65 61.48 1u1e s ILE 23 Cb -0.10 -3.79 0.13 0.00 0.01 0.00 0.00 42.46 38.70 1u1e s ILE 23 CO -0.00 0.24 0.25 0.68 0.00 0.00 0.00 174.94 176.11 1u1e s VAL 24 N 1.26 2.45 0.66 2.92 -7.23 0.12 -2.01 120.40 118.57 1u1e s VAL 24 Ca 0.23 -3.23 -0.11 0.00 -1.81 0.00 0.00 61.98 57.06 1u1e s VAL 24 Cb -0.15 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1u1e s VAL 24 CO 0.09 -0.81 1.05 -2.16 -0.31 0.00 0.00 175.10 172.97 1u1e s PRO 25 N -0.21 3.28 -0.09 4.82 0.04 -1.24 -3.16 135.00 138.44 1u1e s PRO 25 Ca 0.17 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.64 1u1e s PRO 25 Cb -0.26 -2.05 -0.29 0.00 0.04 0.00 0.00 34.50 31.95 1u1e s PRO 25 CO -0.00 -0.78 0.82 0.78 0.04 0.00 0.00 177.00 177.86 1u1e h GLY 26 N -0.47 0.18 -5.13 0.56 0.00 -1.82 -0.29 103.07 96.10 1u1e h GLY 26 Ca -0.44 -0.46 -0.57 0.00 0.00 0.00 0.00 47.33 45.86 1u1e h GLY 26 CO 0.62 0.40 0.90 -0.35 0.00 0.00 0.00 176.54 178.11 1u1e s ASP 27 N -6.62 6.95 0.45 0.19 -1.08 -1.26 -1.57 116.67 113.72 1u1e s ASP 27 Ca -0.16 1.69 0.31 0.00 -0.52 0.00 0.00 52.55 53.87 1u1e s ASP 27 Cb -0.01 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.44 1u1e s ASP 27 CO 0.76 -0.76 1.93 1.55 0.52 0.00 0.00 175.17 179.18 1u1e h PRO 28 N 8.18 0.00 -0.00 4.34 0.13 -1.88 -1.88 132.00 140.89 1u1e h PRO 28 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1u1e h PRO 28 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1u1e h PRO 28 CO 0.97 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.38 1u1e n ASP 29 N -2.64 0.48 0.03 1.44 9.92 -1.26 -3.59 116.55 120.92 1u1e n ASP 29 Ca -0.01 -0.60 0.11 0.00 -0.53 0.00 0.00 54.79 53.77 1u1e n ASP 29 Cb 0.14 -0.07 -0.07 0.00 -0.64 0.00 0.00 41.12 40.48 1u1e n ASP 29 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1u1e n ARG 30 N -0.94 0.45 -0.16 -1.24 0.63 -0.71 -4.41 116.66 110.29 1u1e n ARG 30 Ca 0.15 -0.05 -0.06 0.00 -0.92 0.00 0.00 57.85 56.96 1u1e n ARG 30 Cb 0.27 -1.60 0.03 0.00 0.45 0.00 0.00 32.46 31.61 1u1e n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u1e h VAL 31 N 0.00 1.06 -0.23 5.15 2.07 -1.64 -1.46 116.25 121.20 1u1e h VAL 31 Ca 0.00 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1u1e h VAL 31 Cb 0.86 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1u1e h VAL 31 CO 0.00 0.10 -0.17 -0.08 0.02 0.00 0.00 177.57 177.44 1u1e h GLU 32 N 0.57 0.40 -0.35 1.57 4.81 -1.80 -2.27 114.58 117.51 1u1e h GLU 32 Ca 0.19 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1u1e h GLU 32 Cb 0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1u1e h GLU 32 CO -0.08 0.57 -0.16 0.87 -0.73 0.00 0.00 179.01 179.47 1u1e h LYS 33 N 0.37 0.73 -0.23 1.92 1.57 -1.60 -2.48 116.57 116.85 1u1e h LYS 33 Ca 0.07 -0.32 -0.17 0.00 -1.87 0.00 0.00 60.65 58.36 1u1e h LYS 33 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1u1e h LYS 33 CO 0.03 0.92 -0.50 0.82 -0.57 0.00 0.00 179.45 180.15 1u1e h ILE 34 N 0.52 1.30 0.00 1.86 2.04 -1.23 -3.25 117.51 118.74 1u1e h ILE 34 Ca 0.08 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1u1e h ILE 34 Cb 0.70 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1u1e h ILE 34 CO 0.05 0.54 -0.21 0.00 0.00 0.00 0.00 178.15 178.54 1u1e h ALA 35 N 0.62 1.03 0.00 1.87 0.00 -1.45 -2.91 119.26 118.43 1u1e h ALA 35 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1u1e h ALA 35 Cb 1.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1u1e h ALA 35 CO 0.11 0.26 -0.19 0.00 0.00 0.00 0.00 179.25 179.43 1u1e h ALA 36 N 1.79 1.00 0.00 0.00 0.00 -1.48 -2.95 119.26 117.62 1u1e h ALA 36 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u1e h ALA 36 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1u1e h ALA 36 CO 0.03 0.24 -0.05 1.28 0.00 0.00 0.00 179.25 180.75 1u1e n LEU 37 N -3.31 0.67 -4.93 0.00 4.77 -1.10 -4.84 117.00 108.26 1u1e n LEU 37 Ca 0.01 0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 56.33 1u1e n LEU 37 Cb 0.43 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1u1e n LEU 37 CO 0.33 -0.14 0.04 -0.04 -1.33 0.00 0.00 177.39 176.24 1u1e s MET 38 N -3.09 2.77 0.18 3.23 -1.94 -1.12 -5.09 119.30 114.25 1u1e s MET 38 Ca 0.11 -1.30 -0.30 0.00 -1.71 0.00 0.00 55.69 52.49 1u1e s MET 38 Cb 0.14 -2.60 -0.08 0.00 2.01 0.00 0.00 34.83 34.30 1u1e s MET 38 CO 0.60 -0.10 1.08 -0.51 -0.01 0.00 0.00 175.02 176.07 1u1e s ASP 39 N -4.17 7.30 -0.40 3.03 1.01 -0.56 -4.45 116.67 118.42 1u1e s ASP 39 Ca 0.48 2.07 -0.20 0.00 0.71 0.00 0.00 52.55 55.61 1u1e s ASP 39 Cb -0.07 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.28 1u1e s ASP 39 CO 0.30 -0.19 0.53 0.29 0.21 0.00 0.00 175.17 176.31 1u1e n LYS 40 N 2.29 -2.26 -3.11 8.23 5.02 -1.26 -0.05 118.16 127.02 1u1e n LYS 40 Ca 0.02 1.92 -0.39 0.00 -2.02 0.00 0.00 58.31 57.84 1u1e n LYS 40 Cb 0.46 -4.34 -0.05 0.00 -0.02 0.00 0.00 35.03 31.09 1u1e n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1e s PRO 41 N -2.38 4.41 -0.06 1.97 0.04 -1.26 -3.99 135.00 133.73 1u1e s PRO 41 Ca 0.25 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1u1e s PRO 41 Cb -0.05 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1u1e s PRO 41 CO 0.76 0.13 -0.04 0.08 0.04 0.00 0.00 177.00 177.98 1u1e s VAL 42 N 0.59 0.53 -0.07 -0.36 1.01 0.31 -4.99 120.40 117.42 1u1e s VAL 42 Ca 0.35 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1u1e s VAL 42 Cb -0.17 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1u1e s VAL 42 CO 0.17 0.24 1.22 -0.75 0.00 0.00 0.00 175.10 175.98 1u1e s LYS 43 N 1.24 4.33 -0.13 2.72 2.20 -1.26 -0.11 119.74 128.73 1u1e s LYS 43 Ca -0.06 1.68 -0.12 0.00 -0.36 0.00 0.00 55.97 57.12 1u1e s LYS 43 Cb -0.14 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1u1e s LYS 43 CO -0.02 -0.48 -0.23 1.28 -0.36 0.00 0.00 175.35 175.54 1u1e n LEU 44 N 5.38 1.50 -3.69 5.43 4.77 -0.47 -4.94 117.00 124.99 1u1e n LEU 44 Ca 0.11 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 1u1e n LEU 44 Cb 0.46 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1u1e n LEU 44 CO 0.55 -0.38 0.14 0.00 -1.33 0.00 0.00 177.39 176.38 1u1e s ALA 45 N -2.88 -1.05 -0.20 -1.18 0.00 -1.18 -5.02 121.76 110.25 1u1e s ALA 45 Ca -0.19 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1u1e s ALA 45 Cb 0.03 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.33 1u1e s ALA 45 CO 0.28 -0.33 0.05 0.45 0.00 0.00 0.00 175.76 176.21 1u1e s SER 46 N -1.44 2.92 -0.04 0.00 0.15 -1.26 -0.85 113.70 113.18 1u1e s SER 46 Ca -0.11 -0.86 0.01 0.00 0.70 0.00 0.00 55.95 55.69 1u1e s SER 46 Cb -0.03 -0.56 0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1u1e s SER 46 CO 0.04 -0.32 -0.03 -1.00 1.20 0.00 0.00 173.24 173.13 1u1e s HIS 47 N 1.89 0.59 0.00 3.44 3.76 -0.15 -5.00 115.29 119.82 1u1e s HIS 47 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1u1e s HIS 47 Cb -0.17 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 32.94 1u1e s HIS 47 CO -0.10 -0.18 0.00 0.54 -0.85 0.00 0.00 174.74 174.15 1u1e n ARG 48 N 4.13 0.00 -0.15 1.40 1.74 -1.26 -0.48 116.66 122.04 1u1e n ARG 48 Ca -0.24 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1u1e n ARG 48 Cb 0.51 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.11 1u1e n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1e n GLU 49 N 5.68 2.16 -3.50 5.56 0.00 -1.26 -4.91 120.64 124.36 1u1e n GLU 49 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 57.16 54.75 1u1e n GLU 49 Cb 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 31.44 29.96 1u1e n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1e s PHE 50 N -1.22 3.25 -0.15 -1.84 0.40 0.37 -4.44 117.98 114.36 1u1e s PHE 50 Ca 0.29 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1u1e s PHE 50 Cb 0.17 -2.72 -0.01 0.00 0.51 0.00 0.00 43.02 40.97 1u1e s PHE 50 CO 0.24 -0.69 -0.11 0.99 0.70 0.00 0.00 175.22 176.35 1u1e s THR 51 N 1.60 3.17 -0.09 0.64 2.01 -1.26 -0.98 115.64 120.73 1u1e s THR 51 Ca 0.04 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1u1e s THR 51 Cb -0.21 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1u1e s THR 51 CO 0.07 0.50 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.38 1u1e s THR 52 N 0.57 2.05 -0.02 -0.82 2.01 -0.03 -2.03 115.64 117.37 1u1e s THR 52 Ca -0.07 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 60.97 1u1e s THR 52 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1u1e s THR 52 CO 0.03 0.56 -0.19 0.26 -0.69 0.00 0.00 174.62 174.59 1u1e s TRP 53 N 0.23 1.73 -0.17 4.92 0.52 0.20 -1.37 118.94 125.01 1u1e s TRP 53 Ca -0.15 -0.33 -0.07 0.00 0.02 0.00 0.00 56.10 55.56 1u1e s TRP 53 Cb -0.17 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 1u1e s TRP 53 CO 0.08 -0.03 0.06 0.50 0.02 0.00 0.00 176.95 177.58 1u1e s ARG 54 N -0.44 3.88 0.29 4.98 3.52 0.84 -1.13 118.95 130.89 1u1e s ARG 54 Ca 0.07 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1u1e s ARG 54 Cb -0.08 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1u1e s ARG 54 CO -0.01 0.34 0.15 0.00 -0.81 0.00 0.00 175.30 174.96 1u1e s ALA 55 N 0.19 1.87 -0.09 6.12 0.00 -0.37 -0.53 121.76 128.95 1u1e s ALA 55 Ca 0.04 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.26 1u1e s ALA 55 Cb -0.12 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.15 1u1e s ALA 55 CO 0.00 -0.50 -0.19 -2.00 0.00 0.00 0.00 175.76 173.07 1u1e s GLU 56 N -3.88 2.48 -0.21 0.00 2.12 0.92 -0.38 118.70 119.76 1u1e s GLU 56 Ca 0.36 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.02 1u1e s GLU 56 Cb 0.06 -1.96 0.05 0.00 0.26 0.00 0.00 34.13 32.54 1u1e s GLU 56 CO 0.16 0.08 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.70 1u1e s LEU 57 N 0.59 2.31 -1.45 2.70 2.96 0.26 -1.50 118.68 124.54 1u1e s LEU 57 Ca -0.15 -0.95 -0.11 0.00 -0.22 0.00 0.00 54.13 52.71 1u1e s LEU 57 Cb -0.17 -1.20 0.05 0.00 0.50 0.00 0.00 46.19 45.38 1u1e s LEU 57 CO 0.05 -0.17 1.05 0.47 -1.32 0.00 0.00 176.35 176.43 1u1e n ASP 58 N 4.69 -5.62 -0.45 3.68 9.92 -1.26 -2.22 116.55 125.29 1u1e n ASP 58 Ca -0.14 -0.63 -0.05 0.00 -0.53 0.00 0.00 54.79 53.44 1u1e n ASP 58 Cb 0.46 -4.45 -0.01 0.00 -0.64 0.00 0.00 41.12 36.47 1u1e n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u1e n GLY 59 N -1.82 0.52 2.89 0.44 0.00 -1.26 -5.04 105.19 100.92 1u1e n GLY 59 Ca 0.02 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1u1e n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1e s LYS 60 N -3.15 0.61 0.11 1.61 2.20 -0.94 -5.13 119.74 115.05 1u1e s LYS 60 Ca 0.00 -0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.21 1u1e s LYS 60 Cb 0.00 -0.65 -0.09 0.00 -1.51 0.00 0.00 37.83 35.58 1u1e s LYS 60 CO 0.00 -0.04 1.63 -1.25 -0.36 0.00 0.00 175.35 175.33 1u1e s PRO 61 N 0.67 4.20 -0.02 4.03 0.04 -1.26 -0.58 135.00 142.08 1u1e s PRO 61 Ca -0.08 2.36 0.05 0.00 0.04 0.00 0.00 61.00 63.37 1u1e s PRO 61 Cb -0.11 -3.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1u1e s PRO 61 CO -0.00 -0.69 -0.16 0.08 0.04 0.00 0.00 177.00 176.27 1u1e s VAL 62 N 1.99 1.33 -0.14 -0.36 1.01 0.48 -4.48 120.40 120.24 1u1e s VAL 62 Ca 0.73 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1u1e s VAL 62 Cb -0.42 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1u1e s VAL 62 CO 0.32 0.38 0.09 -0.63 0.00 0.00 0.00 175.10 175.26 1u1e s ILE 63 N -0.23 5.07 -0.19 2.22 -1.09 -1.06 -1.23 121.20 124.69 1u1e s ILE 63 Ca 0.03 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 1u1e s ILE 63 Cb -0.08 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1u1e s ILE 63 CO 0.00 0.55 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.45 1u1e s VAL 64 N -0.46 2.78 -0.03 2.92 1.01 -0.28 -0.81 120.40 125.53 1u1e s VAL 64 Ca 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1u1e s VAL 64 Cb -0.12 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1u1e s VAL 64 CO 0.02 0.49 0.05 0.00 0.00 0.00 0.00 175.10 175.66 1u1e s SER 66 N 1.44 7.27 -0.02 0.00 1.04 -0.86 -3.68 113.70 118.89 1u1e s SER 66 Ca -0.05 2.09 0.18 0.00 0.48 0.00 0.00 55.95 58.65 1u1e s SER 66 Cb -0.13 -2.60 -0.20 0.00 0.10 0.00 0.00 66.02 63.19 1u1e s SER 66 CO -0.03 -0.22 0.57 0.35 0.98 0.00 0.00 173.24 174.88 1u1e n THR 67 N 2.36 0.99 -0.08 2.02 -2.24 -0.12 -4.41 114.28 112.81 1u1e n THR 67 Ca 0.03 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1u1e n THR 67 Cb 0.46 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1u1e n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1e n GLY 68 N 1.46 -2.78 3.70 3.38 0.00 -0.61 -3.48 105.19 106.86 1u1e n GLY 68 Ca -0.14 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1u1e n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 69 N -0.97 4.88 0.00 -0.61 1.01 -1.26 -4.61 121.20 119.63 1u1e s ILE 69 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1u1e s ILE 69 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1u1e s ILE 69 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1u1e n GLY 70 N 3.07 1.22 0.19 6.18 0.00 -1.24 -4.74 105.19 109.87 1u1e n GLY 70 Ca 0.05 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1u1e n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1e h GLY 71 N 0.00 0.63 -0.03 -0.02 0.00 -1.87 -2.96 103.07 98.81 1u1e h GLY 71 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.10 1u1e h GLY 71 CO 0.00 0.29 -0.23 -2.55 0.00 0.00 0.00 176.54 174.05 1u1e h PRO 72 N 0.52 -0.16 0.00 4.80 0.11 -1.95 0.59 132.00 135.91 1u1e h PRO 72 Ca 0.14 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1u1e h PRO 72 Cb 0.11 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1u1e h PRO 72 CO -0.02 -0.10 -0.57 0.66 -0.21 0.00 0.00 178.00 177.75 1u1e h SER 73 N -0.16 0.00 -0.62 -2.05 4.64 -1.81 -2.71 113.55 110.84 1u1e h SER 73 Ca 0.19 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 1u1e h SER 73 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1u1e h SER 73 CO -0.49 0.57 0.19 0.74 -0.87 0.00 0.00 176.83 176.97 1u1e h THR 74 N 0.00 1.25 -0.40 2.95 2.02 -1.20 -0.20 112.91 117.33 1u1e h THR 74 Ca -0.01 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 1u1e h THR 74 Cb 1.34 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1u1e h THR 74 CO 0.07 0.33 -0.17 0.77 0.37 0.00 0.00 175.52 176.90 1u1e h SER 75 N 0.97 0.76 -0.07 4.18 4.64 0.29 -0.99 113.55 123.33 1u1e h SER 75 Ca 0.21 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1u1e h SER 75 Cb 0.30 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1u1e h SER 75 CO -0.01 0.93 0.00 0.40 -0.87 0.00 0.00 176.83 177.29 1u1e h ILE 76 N 0.68 1.24 0.02 0.95 2.04 -1.25 -2.49 117.51 118.69 1u1e h ILE 76 Ca 0.10 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1u1e h ILE 76 Cb 0.66 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1u1e h ILE 76 CO 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.40 1u1e h ALA 77 N 0.74 -0.02 -0.33 1.87 0.00 -0.93 -1.91 119.26 118.68 1u1e h ALA 77 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1u1e h ALA 77 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1u1e h ALA 77 CO 0.00 -0.48 0.06 0.28 0.00 0.00 0.00 179.25 179.12 1u1e h VAL 78 N -0.09 1.23 -0.38 0.00 2.07 -1.28 -1.58 116.25 116.23 1u1e h VAL 78 Ca -0.00 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1u1e h VAL 78 Cb 0.08 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1u1e h VAL 78 CO 0.00 0.26 0.22 -0.08 0.02 0.00 0.00 177.57 178.00 1u1e h GLU 79 N 0.37 0.52 0.00 1.57 4.57 -1.43 -0.73 114.58 119.45 1u1e h GLU 79 Ca 0.10 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 1u1e h GLU 79 Cb 0.33 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1u1e h GLU 79 CO 0.00 0.39 -0.66 0.93 -1.18 0.00 0.00 179.01 178.50 1u1e h GLU 80 N 0.49 0.00 -0.11 1.92 5.08 -1.31 -1.92 114.58 118.72 1u1e h GLU 80 Ca 0.14 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1u1e h GLU 80 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1u1e h GLU 80 CO -0.02 0.66 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.96 1u1e h LEU 81 N 0.00 0.45 -0.78 1.33 3.38 -1.17 -3.02 115.31 115.49 1u1e h LEU 81 Ca -0.01 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1u1e h LEU 81 Cb 1.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1u1e h LEU 81 CO 0.09 0.95 -0.05 0.00 0.09 0.00 0.00 178.44 179.52 1u1e h ALA 82 N 1.05 0.98 0.00 1.53 0.00 -0.86 -1.40 119.26 120.56 1u1e h ALA 82 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1u1e h ALA 82 Cb 1.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1u1e h ALA 82 CO 0.10 0.61 -0.11 1.96 0.00 0.00 0.00 179.25 181.82 1u1e h GLN 83 N 0.79 0.00 -0.01 0.00 4.20 -1.32 -2.44 115.11 116.34 1u1e h GLN 83 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1u1e h GLN 83 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1u1e h GLN 83 CO 0.03 0.11 -0.33 1.28 -0.67 0.00 0.00 178.83 179.24 1u1e n LEU 84 N -4.26 0.98 0.00 1.46 4.77 -0.92 -4.94 117.00 114.09 1u1e n LEU 84 Ca -0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1u1e n LEU 84 Cb 0.18 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1u1e n LEU 84 CO 0.34 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1u1e n GLY 85 N 1.38 0.89 3.69 -0.72 0.00 -0.92 -4.82 105.19 104.70 1u1e n GLY 85 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1u1e n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 86 N -1.84 4.28 -0.11 -0.61 -1.09 -0.57 -4.45 121.20 116.82 1u1e s ILE 86 Ca 0.00 1.61 0.05 0.00 -2.23 0.00 0.00 60.65 60.09 1u1e s ILE 86 Cb 0.00 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1u1e s ILE 86 CO 0.00 0.03 0.16 0.54 -1.23 0.00 0.00 174.94 174.44 1u1e n ARG 87 N 4.86 2.34 -4.64 2.79 5.12 0.78 -4.26 116.66 123.65 1u1e n ARG 87 Ca 0.10 -0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 55.74 1u1e n ARG 87 Cb 0.47 -0.96 -0.17 0.00 -1.16 0.00 0.00 32.46 30.64 1u1e n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1e s THR 88 N -2.00 1.24 -0.12 0.55 2.01 -0.37 -1.80 115.64 115.15 1u1e s THR 88 Ca -0.00 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1u1e s THR 88 Cb 0.04 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1u1e s THR 88 CO 0.22 0.38 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.99 1u1e s PHE 89 N 0.65 2.22 -0.22 4.92 0.40 0.53 -0.77 117.98 125.71 1u1e s PHE 89 Ca -0.15 -1.10 0.00 0.00 -0.60 0.00 0.00 56.93 55.09 1u1e s PHE 89 Cb -0.16 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.83 1u1e s PHE 89 CO 0.04 -0.54 -0.12 -0.51 0.70 0.00 0.00 175.22 174.78 1u1e s LEU 90 N 0.98 2.80 -0.13 -0.37 1.43 -0.28 -0.71 118.68 122.40 1u1e s LEU 90 Ca -0.05 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.02 1u1e s LEU 90 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1u1e s LEU 90 CO -0.03 -0.08 0.49 -0.60 0.23 0.00 0.00 176.35 176.36 1u1e s ARG 91 N 1.28 4.32 -0.18 1.70 3.52 0.65 0.10 118.95 130.35 1u1e s ARG 91 Ca 0.01 0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1u1e s ARG 91 Cb -0.16 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1u1e s ARG 91 CO -0.08 0.11 -0.13 -1.50 -0.81 0.00 0.00 175.30 172.89 1u1e s ILE 92 N 0.77 2.69 0.32 4.11 1.10 -1.19 -1.59 121.20 127.41 1u1e s ILE 92 Ca 0.26 -0.74 0.03 0.00 -0.51 0.00 0.00 60.65 59.70 1u1e s ILE 92 Cb -0.15 -2.17 -0.01 0.00 0.15 0.00 0.00 42.46 40.28 1u1e s ILE 92 CO 0.10 0.49 0.35 0.61 -2.11 0.00 0.00 174.94 174.39 1u1e n GLY 93 N 4.47 2.63 3.87 1.50 0.00 -0.91 -3.76 105.19 112.99 1u1e n GLY 93 Ca -0.19 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 43.84 1u1e n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1e s THR 94 N -3.06 4.77 0.06 2.61 -4.23 -1.26 -2.23 115.64 112.30 1u1e s THR 94 Ca 0.33 -1.15 -0.12 0.00 -1.18 0.00 0.00 61.69 59.57 1u1e s THR 94 Cb 0.01 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1u1e s THR 94 CO 0.23 -0.27 0.26 0.28 -0.54 0.00 0.00 174.62 174.59 1u1e s THR 95 N -1.98 0.10 -0.30 3.99 -1.32 -0.85 -4.82 115.64 110.47 1u1e s THR 95 Ca 0.33 -0.83 -0.07 0.00 -1.21 0.00 0.00 61.69 59.91 1u1e s THR 95 Cb -0.09 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1u1e s THR 95 CO 0.26 -0.46 0.09 -0.83 -2.21 0.00 0.00 174.62 171.47 1u1e s GLY 96 N -2.33 1.80 0.39 6.08 0.00 -1.00 -2.54 107.32 109.71 1u1e s GLY 96 Ca -0.02 -1.46 -0.24 0.00 0.00 0.00 0.00 44.72 43.00 1u1e s GLY 96 CO -0.06 0.66 1.05 0.00 0.00 0.00 0.00 173.10 174.74 1u1e s ALA 97 N 1.51 3.11 -0.35 3.20 0.00 -0.13 -0.90 121.76 128.20 1u1e s ALA 97 Ca 0.03 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1u1e s ALA 97 Cb -0.17 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1u1e s ALA 97 CO 0.03 -0.19 0.65 0.44 0.00 0.00 0.00 175.76 176.69 1u1e n ILE 98 N 0.02 0.12 -3.99 0.00 -5.35 -0.36 -0.68 119.36 109.12 1u1e n ILE 98 Ca 0.05 -0.56 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 1u1e n ILE 98 Cb 0.49 1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.31 1u1e n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1e s GLN 99 N -0.33 3.62 0.43 6.28 -1.52 -1.24 -4.82 119.66 122.08 1u1e s GLN 99 Ca 0.04 -0.26 0.15 0.00 -1.95 0.00 0.00 55.36 53.34 1u1e s GLN 99 Cb 0.03 -3.15 0.97 0.00 -0.22 0.00 0.00 33.01 30.63 1u1e s GLN 99 CO 0.04 0.55 1.95 -1.35 -0.25 0.00 0.00 175.29 176.23 1u1e h PRO 100 N 5.76 0.00 0.00 2.91 0.11 -1.96 -2.79 132.00 136.03 1u1e h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u1e h PRO 100 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1u1e h PRO 100 CO 0.64 0.23 0.00 -2.39 -0.21 0.00 0.00 178.00 176.26 1u1e n HIS 101 N -4.20 0.66 -3.35 0.65 1.44 -1.26 -4.65 115.22 104.50 1u1e n HIS 101 Ca -0.02 0.20 -0.38 0.00 -2.01 0.00 0.00 57.72 55.50 1u1e n HIS 101 Cb 0.29 -0.83 -0.07 0.00 0.12 0.00 0.00 29.99 29.50 1u1e n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1e s ILE 102 N -3.10 5.18 0.31 0.61 1.01 -1.05 -5.09 121.20 119.07 1u1e s ILE 102 Ca 0.11 0.77 0.06 0.00 0.00 0.00 0.00 60.65 61.59 1u1e s ILE 102 Cb 0.14 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1u1e s ILE 102 CO 0.55 0.24 0.38 0.20 0.00 0.00 0.00 174.94 176.30 1u1e s ASN 103 N 1.07 5.85 0.05 3.58 0.02 -1.26 -4.82 114.94 119.43 1u1e s ASN 103 Ca 0.20 -0.21 -0.31 0.00 -1.02 0.00 0.00 52.86 51.53 1u1e s ASN 103 Cb -0.15 -1.33 -0.08 0.00 0.02 0.00 0.00 41.25 39.72 1u1e s ASN 103 CO 0.08 -0.30 1.59 -0.69 0.02 0.00 0.00 177.10 177.81 1u1e s VAL 104 N -2.16 3.19 0.00 1.60 1.01 -1.26 -2.46 120.40 120.33 1u1e s VAL 104 Ca 0.40 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1u1e s VAL 104 Cb -0.08 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1u1e s VAL 104 CO 0.29 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1u1e n GLY 105 N 3.90 2.25 3.80 4.51 0.00 0.85 -5.01 105.19 115.49 1u1e n GLY 105 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1u1e n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1e s ASP 106 N -1.73 5.28 -0.09 1.61 1.01 -1.03 -4.73 116.67 116.99 1u1e s ASP 106 Ca 0.00 1.72 0.01 0.00 0.71 0.00 0.00 52.55 54.99 1u1e s ASP 106 Cb 0.00 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1u1e s ASP 106 CO 0.00 -1.51 -0.11 0.54 0.21 0.00 0.00 175.17 174.29 1u1e s VAL 107 N -2.86 3.25 -0.09 -1.27 0.11 -1.00 -0.81 120.40 117.74 1u1e s VAL 107 Ca 0.60 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1u1e s VAL 107 Cb -0.15 -2.33 -0.00 0.00 -1.53 0.00 0.00 36.38 32.36 1u1e s VAL 107 CO 0.51 0.56 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.85 1u1e s LEU 108 N -0.23 2.03 -0.20 2.54 1.43 -0.17 -2.13 118.68 121.95 1u1e s LEU 108 Ca 0.02 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1u1e s LEU 108 Cb -0.13 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1u1e s LEU 108 CO 0.03 0.16 0.03 -0.69 0.23 0.00 0.00 176.35 176.10 1u1e s VAL 109 N 0.30 4.28 -0.26 -1.59 1.01 -0.66 -1.73 120.40 121.74 1u1e s VAL 109 Ca -0.16 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1u1e s VAL 109 Cb -0.17 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1u1e s VAL 109 CO 0.07 0.43 0.52 -0.89 0.00 0.00 0.00 175.10 175.24 1u1e s THR 110 N 0.82 5.06 -0.02 3.92 2.01 -0.70 -2.29 115.64 124.44 1u1e s THR 110 Ca 0.02 0.90 -0.21 0.00 0.31 0.00 0.00 61.69 62.71 1u1e s THR 110 Cb -0.14 -3.84 -0.29 0.00 0.01 0.00 0.00 72.50 68.25 1u1e s THR 110 CO 0.02 0.08 0.98 0.71 -0.69 0.00 0.00 174.62 175.73 1u1e h THR 111 N 5.39 1.47 -3.08 -0.82 1.35 -1.53 -3.41 112.91 112.28 1u1e h THR 111 Ca -0.29 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1u1e h THR 111 Cb 1.14 2.96 -0.10 0.00 -1.73 0.00 0.00 68.15 70.42 1u1e h THR 111 CO 0.72 0.68 0.17 0.00 -0.25 0.00 0.00 175.52 176.84 1u1e s ALA 112 N -2.75 -1.32 0.01 6.62 0.00 -1.26 -0.55 121.76 122.52 1u1e s ALA 112 Ca -0.13 0.09 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1u1e s ALA 112 Cb 0.02 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1u1e s ALA 112 CO 0.84 -0.85 -0.20 -1.12 0.00 0.00 0.00 175.76 174.42 1u1e s SER 113 N -2.83 2.40 -0.05 0.00 0.01 -0.10 -2.35 113.70 110.77 1u1e s SER 113 Ca 0.06 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1u1e s SER 113 Cb -0.02 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1u1e s SER 113 CO -0.05 0.21 1.41 -0.69 0.41 0.00 0.00 173.24 174.53 1u1e s VAL 114 N -0.62 3.85 -1.10 3.43 1.01 0.95 -4.32 120.40 123.60 1u1e s VAL 114 Ca 0.08 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 63.02 1u1e s VAL 114 Cb -0.08 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.68 1u1e s VAL 114 CO 0.00 -0.05 1.39 -0.13 0.00 0.00 0.00 175.10 176.32 1u1e s ARG 115 N 2.98 3.81 -0.59 2.72 0.52 -1.26 -1.40 118.95 125.73 1u1e s ARG 115 Ca 0.63 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1u1e s ARG 115 Cb -0.29 -5.16 0.53 0.00 0.52 0.00 0.00 34.95 30.55 1u1e s ARG 115 CO 0.24 -1.94 2.00 1.28 0.02 0.00 0.00 175.30 176.89 1u1e n LEU 116 N 7.07 7.37 -4.53 2.53 4.77 -0.60 -4.96 117.00 128.65 1u1e n LEU 116 Ca 0.34 -4.05 -0.24 0.00 -0.03 0.00 0.00 56.01 52.03 1u1e n LEU 116 Cb 0.47 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1u1e n LEU 116 CO 0.62 1.32 -0.27 1.51 -1.33 0.00 0.00 177.39 179.24 1u1e s ASP 117 N -1.64 2.98 -0.21 -1.43 -4.77 -1.23 -0.88 116.67 109.48 1u1e s ASP 117 Ca 0.62 -1.40 0.07 0.00 -3.30 0.00 0.00 52.55 48.54 1u1e s ASP 117 Cb 0.50 -0.13 -0.18 0.00 -1.09 0.00 0.00 42.92 42.02 1u1e s ASP 117 CO 0.03 -0.58 -0.09 0.61 0.70 0.00 0.00 175.17 175.84 1u1e n GLY 118 N -0.82 -0.54 0.24 2.12 0.00 -1.26 -4.65 105.19 100.28 1u1e n GLY 118 Ca -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.78 1u1e n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e h ALA 119 N 0.36 1.40 -0.57 4.61 0.00 -1.98 -2.61 119.26 120.47 1u1e h ALA 119 Ca -0.50 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.19 1u1e h ALA 119 Cb 1.91 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1u1e h ALA 119 CO -0.04 0.41 0.38 0.66 0.00 0.00 0.00 179.25 180.66 1u1e h SER 120 N 0.32 0.65 0.34 0.00 4.64 -1.85 -1.13 113.55 116.51 1u1e h SER 120 Ca 0.06 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1u1e h SER 120 Cb 0.42 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1u1e h SER 120 CO 0.02 0.47 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.31 1u1e h LEU 121 N 0.77 0.00 0.00 5.97 3.38 -1.56 -1.76 115.31 122.11 1u1e h LEU 121 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1u1e h LEU 121 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1u1e h LEU 121 CO -0.04 0.08 0.00 1.41 0.09 0.00 0.00 178.44 179.97 1u1e n HIS 122 N -3.54 0.00 -0.02 1.13 8.25 -0.43 -3.63 115.22 116.98 1u1e n HIS 122 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1u1e n HIS 122 Cb 0.20 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 1u1e n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1e n PHE 123 N -1.36 0.00 -3.61 4.41 3.01 -0.77 -5.08 117.46 114.05 1u1e n PHE 123 Ca 0.09 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.39 1u1e n PHE 123 Cb 0.21 -0.15 -0.07 0.00 -0.01 0.00 0.00 39.48 39.46 1u1e n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1e s ALA 124 N -2.08 -1.56 0.88 4.37 0.00 -0.73 -5.01 121.76 117.63 1u1e s ALA 124 Ca -0.03 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 1u1e s ALA 124 Cb 0.01 -0.49 0.12 0.00 0.00 0.00 0.00 23.12 22.76 1u1e s ALA 124 CO 0.12 -0.32 1.16 -1.25 0.00 0.00 0.00 175.76 175.46 1u1e s PRO 125 N -0.47 1.26 0.42 0.00 0.04 -1.26 -3.83 135.00 131.17 1u1e s PRO 125 Ca -0.06 1.59 0.17 0.00 0.04 0.00 0.00 61.00 62.73 1u1e s PRO 125 Cb -0.03 -1.75 1.07 0.00 0.04 0.00 0.00 34.50 33.83 1u1e s PRO 125 CO 0.05 -2.46 1.89 1.25 0.04 0.00 0.00 177.00 177.77 1u1e h LEU 126 N -1.56 0.40 -2.39 -3.56 5.85 -1.93 -1.22 115.31 110.90 1u1e h LEU 126 Ca -0.44 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1u1e h LEU 126 Cb 1.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1e h LEU 126 CO 0.43 0.19 0.00 1.05 -0.34 0.00 0.00 178.44 179.77 1u1e h GLU 127 N 0.41 0.00 -6.55 1.25 9.09 -2.03 -3.42 114.58 113.34 1u1e h GLU 127 Ca 0.41 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.30 1u1e h GLU 127 Cb 0.99 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.10 1u1e h GLU 127 CO -0.14 0.00 0.57 0.12 0.05 0.00 0.00 179.01 179.61 1u1e s PHE 128 N -3.95 3.42 0.05 2.06 2.19 -0.46 -4.99 117.98 116.31 1u1e s PHE 128 Ca -0.03 1.31 -0.31 0.00 0.33 0.00 0.00 56.93 58.23 1u1e s PHE 128 Cb 0.11 -3.45 -0.05 0.00 -1.31 0.00 0.00 43.02 38.32 1u1e s PHE 128 CO 0.42 -1.35 1.19 -1.25 1.83 0.00 0.00 175.22 176.06 1u1e s PRO 129 N 0.66 4.44 -1.24 10.12 0.04 -1.26 -4.92 135.00 142.83 1u1e s PRO 129 Ca 0.57 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.21 1u1e s PRO 129 Cb -0.31 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1u1e s PRO 129 CO 0.31 -0.25 2.22 0.00 0.04 0.00 0.00 177.00 179.33 1u1e n ALA 130 N 3.96 5.09 -2.84 8.56 0.00 -1.26 -4.72 120.51 129.30 1u1e n ALA 130 Ca 0.09 -3.53 -0.37 0.00 0.00 0.00 0.00 53.44 49.64 1u1e n ALA 130 Cb 0.47 -3.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.34 1u1e n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1e s VAL 131 N 3.60 5.34 0.52 0.00 0.11 -1.26 -0.92 120.40 127.79 1u1e s VAL 131 Ca 0.52 0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.55 1u1e s VAL 131 Cb 0.14 -3.33 -0.07 0.00 -1.53 0.00 0.00 36.38 31.59 1u1e s VAL 131 CO -0.02 0.60 1.01 0.00 -3.33 0.00 0.00 175.10 173.35 1u1e s ALA 132 N -0.85 2.95 0.21 1.54 0.00 0.29 -4.71 121.76 121.19 1u1e s ALA 132 Ca 0.14 0.32 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 1u1e s ALA 132 Cb -0.12 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1u1e s ALA 132 CO 0.03 -0.34 1.50 0.34 0.00 0.00 0.00 175.76 177.29 1u1e s ASP 133 N -2.73 6.62 0.27 0.00 2.15 0.30 -4.91 116.67 118.37 1u1e s ASP 133 Ca 0.62 2.65 -0.04 0.00 0.43 0.00 0.00 52.55 56.21 1u1e s ASP 133 Cb -0.12 -2.61 0.36 0.00 -0.30 0.00 0.00 42.92 40.25 1u1e s ASP 133 CO 0.29 -0.76 1.92 0.15 -0.17 0.00 0.00 175.17 176.60 1u1e h PHE 134 N 5.81 1.19 -0.36 -5.34 3.04 -1.95 -0.36 116.94 118.96 1u1e h PHE 134 Ca -0.44 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.40 1u1e h PHE 134 Cb 1.21 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1u1e h PHE 134 CO 0.62 0.70 -0.32 0.93 -2.02 0.00 0.00 178.31 178.22 1u1e h GLU 135 N 1.24 0.79 -0.28 1.11 5.08 -1.96 -1.33 114.58 119.24 1u1e h GLU 135 Ca 0.38 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1u1e h GLU 135 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1u1e h GLU 135 CO -0.11 1.00 -0.13 0.00 -1.00 0.00 0.00 179.01 178.77 1u1e h THR 137 N 0.33 1.16 -0.53 0.00 2.02 -1.06 -2.08 112.91 112.75 1u1e h THR 137 Ca 0.06 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1u1e h THR 137 Cb 0.65 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1u1e h THR 137 CO 0.04 0.17 0.23 0.74 0.37 0.00 0.00 175.52 177.07 1u1e h THR 138 N 0.60 0.87 -0.56 3.16 2.02 -1.19 -1.70 112.91 116.10 1u1e h THR 138 Ca 0.16 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1u1e h THR 138 Cb 0.05 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1u1e h THR 138 CO -0.03 0.08 0.21 0.00 0.37 0.00 0.00 175.52 176.15 1u1e h ALA 139 N 1.33 0.73 -0.56 6.16 0.00 -1.13 -0.86 119.26 124.93 1u1e h ALA 139 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1u1e h ALA 139 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1u1e h ALA 139 CO -0.22 0.36 0.03 -0.07 0.00 0.00 0.00 179.25 179.35 1u1e h LEU 140 N 0.77 0.94 -0.40 0.00 3.38 -1.11 0.10 115.31 119.00 1u1e h LEU 140 Ca 0.18 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1u1e h LEU 140 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1u1e h LEU 140 CO -0.01 1.00 -0.03 0.58 0.09 0.00 0.00 178.44 180.07 1u1e h VAL 141 N 0.85 1.27 -0.19 1.22 2.07 -1.22 -1.48 116.25 118.77 1u1e h VAL 141 Ca 0.16 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1u1e h VAL 141 Cb 0.50 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1u1e h VAL 141 CO 0.02 0.36 -0.34 -0.33 0.02 0.00 0.00 177.57 177.31 1u1e h GLU 142 N 0.54 0.39 -0.15 1.57 5.08 -1.01 -2.08 114.58 118.92 1u1e h GLU 142 Ca 0.11 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1u1e h GLU 142 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1u1e h GLU 142 CO 0.03 0.68 -0.54 0.00 -1.00 0.00 0.00 179.01 178.18 1u1e h ALA 143 N 1.31 0.79 -0.47 3.43 0.00 -0.72 -1.93 119.26 121.67 1u1e h ALA 143 Ca 0.04 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1u1e h ALA 143 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1u1e h ALA 143 CO 0.06 0.69 -0.09 0.00 0.00 0.00 0.00 179.25 179.90 1u1e h ALA 144 N 1.08 0.95 0.00 0.00 0.00 -1.04 -2.71 119.26 117.54 1u1e h ALA 144 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1u1e h ALA 144 Cb 1.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1u1e h ALA 144 CO 0.09 0.62 -0.48 0.87 0.00 0.00 0.00 179.25 180.35 1u1e h LYS 145 N 0.77 0.00 -0.25 0.00 1.79 -1.29 -2.57 116.57 115.02 1u1e h LYS 145 Ca 0.13 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 1u1e h LYS 145 Cb 0.59 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1u1e h LYS 145 CO 0.04 0.48 -0.10 1.03 -1.08 0.00 0.00 179.45 179.81 1u1e h SER 146 N 0.00 0.52 1.08 0.86 0.87 -1.06 -3.23 113.55 112.59 1u1e h SER 146 Ca -0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1u1e h SER 146 Cb 0.94 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1u1e h SER 146 CO 0.06 0.80 -0.44 0.16 -0.53 0.00 0.00 176.83 176.88 1u1e h ILE 147 N 0.24 0.00 -2.99 2.23 -0.00 -1.52 -3.49 117.51 111.97 1u1e h ILE 147 Ca 0.06 -0.52 0.00 0.00 -0.00 0.00 0.00 64.86 64.40 1u1e h ILE 147 Cb 0.60 1.23 0.00 0.00 -0.00 0.00 0.00 36.82 38.65 1u1e h ILE 147 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.79 1u1e n GLY 148 N 1.32 -2.04 3.15 0.16 0.00 -0.98 -5.12 105.19 101.68 1u1e n GLY 148 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1u1e n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e s ALA 149 N -0.36 -0.50 -0.45 4.61 0.00 -1.13 -5.05 121.76 118.88 1u1e s ALA 149 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.76 1u1e s ALA 149 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1u1e s ALA 149 CO 0.00 -0.22 1.56 0.99 0.00 0.00 0.00 175.76 178.09 1u1e s THR 150 N -1.26 3.71 -0.06 0.00 2.01 -1.26 -4.80 115.64 113.98 1u1e s THR 150 Ca -0.13 0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.57 1u1e s THR 150 Cb -0.06 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 1u1e s THR 150 CO 0.02 -0.80 -0.16 -0.89 -0.69 0.00 0.00 174.62 172.11 1u1e s THR 151 N 6.35 2.91 -0.06 -0.82 2.01 -1.26 -2.36 115.64 122.40 1u1e s THR 151 Ca 0.64 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.93 1u1e s THR 151 Cb -0.15 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 1u1e s THR 151 CO 0.30 0.58 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.56 1u1e s HIS 152 N -0.47 2.37 -0.15 4.92 3.76 -0.91 -5.02 115.29 119.79 1u1e s HIS 152 Ca 0.06 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1u1e s HIS 152 Cb -0.12 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.00 1u1e s HIS 152 CO 0.02 -0.23 -0.15 0.08 -0.85 0.00 0.00 174.74 173.60 1u1e s VAL 153 N -0.09 2.75 -1.70 -0.90 1.01 -1.26 -1.66 120.40 118.55 1u1e s VAL 153 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1u1e s VAL 153 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1u1e s VAL 153 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1e n GLY 154 N 3.90 -0.71 3.85 4.51 0.00 -0.97 -4.99 105.19 110.78 1u1e n GLY 154 Ca -0.19 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1u1e n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1e s VAL 155 N -4.00 5.06 -0.06 1.61 1.01 -1.26 -1.30 120.40 121.47 1u1e s VAL 155 Ca 0.00 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.70 1u1e s VAL 155 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1u1e s VAL 155 CO 0.00 0.45 -0.24 -0.89 0.00 0.00 0.00 175.10 174.42 1u1e s THR 156 N -1.22 1.98 -0.32 3.92 2.01 -0.99 -0.79 115.64 120.22 1u1e s THR 156 Ca 0.28 -1.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 1u1e s THR 156 Cb -0.15 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1u1e s THR 156 CO 0.15 0.55 0.74 0.00 -0.69 0.00 0.00 174.62 175.37 1u1e s ALA 157 N -0.09 3.51 -0.45 7.40 0.00 -0.05 -0.03 121.76 132.04 1u1e s ALA 157 Ca -0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 1u1e s ALA 157 Cb -0.14 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1u1e s ALA 157 CO 0.04 -1.23 0.32 0.45 0.00 0.00 0.00 175.76 175.34 1u1e s SER 158 N 1.68 5.76 0.03 0.00 0.15 -0.50 -1.91 113.70 118.90 1u1e s SER 158 Ca 0.30 -1.66 -0.09 0.00 0.70 0.00 0.00 55.95 55.19 1u1e s SER 158 Cb -0.14 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 1u1e s SER 158 CO 0.13 -0.63 0.34 -0.55 1.20 0.00 0.00 173.24 173.73 1u1e s SER 159 N 2.49 6.60 0.00 5.45 0.15 0.23 -1.56 113.70 127.05 1u1e s SER 159 Ca 0.04 0.71 0.21 0.00 0.70 0.00 0.00 55.95 57.61 1u1e s SER 159 Cb -0.25 -2.15 1.23 0.00 -1.71 0.00 0.00 66.02 63.14 1u1e s SER 159 CO 0.02 0.24 1.78 -0.67 1.20 0.00 0.00 173.24 175.80 1u1e n ASP 160 N 1.19 0.00 -3.82 5.45 2.03 -0.06 -4.32 116.55 117.02 1u1e n ASP 160 Ca -0.11 -1.31 -0.11 0.00 0.52 0.00 0.00 54.79 53.78 1u1e n ASP 160 Cb 0.53 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 1u1e n ASP 160 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1u1e s THR 161 N -2.00 0.09 0.02 5.18 -1.32 -1.26 -5.02 115.64 111.33 1u1e s THR 161 Ca 0.31 -0.73 0.06 0.00 -1.21 0.00 0.00 61.69 60.12 1u1e s THR 161 Cb 0.14 -0.75 -0.24 0.00 -1.51 0.00 0.00 72.50 70.14 1u1e s THR 161 CO 0.24 -0.40 0.91 0.15 -2.21 0.00 0.00 174.62 173.31 1u1e h PHE 162 N 3.68 0.12 0.00 9.09 3.57 -1.97 -3.39 116.94 128.04 1u1e h PHE 162 Ca -0.31 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1u1e h PHE 162 Cb 1.19 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1u1e h PHE 162 CO 0.52 1.11 0.00 0.66 -2.23 0.00 0.00 178.31 178.37 1u1e n TYR 163 N -3.26 0.00 0.04 0.41 4.02 -1.26 -4.31 117.16 112.79 1u1e n TYR 163 Ca -0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.78 1u1e n TYR 163 Cb 1.01 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.65 1u1e n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1e h PRO 164 N 0.00 0.44 0.00 -0.72 0.13 -1.88 0.15 132.00 130.11 1u1e h PRO 164 Ca 0.00 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1u1e h PRO 164 Cb 0.00 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.07 1u1e h PRO 164 CO 0.00 0.50 -0.02 0.78 -0.23 0.00 0.00 178.00 179.03 1u1e h GLY 165 N 0.81 0.00 -2.11 1.56 0.00 -1.86 -1.61 103.07 99.86 1u1e h GLY 165 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1u1e h GLY 165 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1u1e n GLN 166 N -3.13 3.37 -3.89 4.80 6.02 -0.85 -4.92 117.38 118.78 1u1e n GLN 166 Ca 0.00 -2.75 -0.28 0.00 -0.01 0.00 0.00 57.00 53.97 1u1e n GLN 166 Cb 0.31 -1.81 -0.00 0.00 1.02 0.00 0.00 30.24 29.75 1u1e n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1e n GLU 167 N 0.17 -2.70 -3.43 -1.09 2.13 -0.61 -4.94 120.64 110.16 1u1e n GLU 167 Ca 0.21 0.41 -0.37 0.00 0.66 0.00 0.00 57.16 58.07 1u1e n GLU 167 Cb 0.85 -4.35 -0.07 0.00 0.27 0.00 0.00 31.44 28.14 1u1e n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1e s ARG 168 N -6.45 4.29 0.00 5.31 0.52 0.45 -4.97 118.95 118.10 1u1e s ARG 168 Ca 0.13 0.25 0.15 0.00 -0.52 0.00 0.00 55.73 55.75 1u1e s ARG 168 Cb -0.05 -3.44 -0.15 0.00 0.52 0.00 0.00 34.95 31.82 1u1e s ARG 168 CO 0.88 0.18 0.66 0.66 0.02 0.00 0.00 175.30 177.70 1u1e n TYR 169 N 3.70 0.00 -1.52 -0.53 4.02 -1.26 -4.33 117.16 117.25 1u1e n TYR 169 Ca -0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.40 1u1e n TYR 169 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1u1e n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1e n ASP 170 N -1.27 7.57 -3.29 7.72 5.75 -1.26 -4.33 116.55 127.44 1u1e n ASP 170 Ca 0.03 -2.72 -0.18 0.00 -0.01 0.00 0.00 54.79 51.91 1u1e n ASP 170 Cb 0.24 -1.55 -0.05 0.00 -1.03 0.00 0.00 41.12 38.74 1u1e n ASP 170 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1u1e n THR 171 N 3.65 0.00 0.18 2.12 -2.24 -1.26 -5.03 114.28 111.70 1u1e n THR 171 Ca 0.70 -1.55 -0.14 0.00 -2.27 0.00 0.00 64.05 60.79 1u1e n THR 171 Cb 0.27 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.88 1u1e n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1e h TYR 172 N 1.34 -0.40 0.03 4.78 5.03 -1.98 -3.26 116.97 122.50 1u1e h TYR 172 Ca -0.23 -0.01 -0.23 0.00 2.58 0.00 0.00 58.73 60.84 1u1e h TYR 172 Cb 0.80 0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1u1e h TYR 172 CO 0.00 -0.15 -1.01 0.66 -1.32 0.00 0.00 178.16 176.35 1u1e h SER 173 N -0.61 0.46 -0.16 -2.11 4.64 -1.98 -3.47 113.55 110.32 1u1e h SER 173 Ca -0.04 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 60.81 1u1e h SER 173 Cb 0.44 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1u1e h SER 173 CO 0.07 1.22 -0.06 0.61 -0.87 0.00 0.00 176.83 177.80 1u1e n GLY 174 N 1.08 0.64 3.29 -0.77 0.00 -1.23 -5.03 105.19 103.17 1u1e n GLY 174 Ca -0.07 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1u1e n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1e s ARG 175 N -1.83 1.15 -0.06 1.61 1.70 -1.26 -4.94 118.95 115.32 1u1e s ARG 175 Ca 0.00 -1.21 0.06 0.00 -0.47 0.00 0.00 55.73 54.11 1u1e s ARG 175 Cb 0.00 -1.37 -0.01 0.00 -0.57 0.00 0.00 34.95 33.00 1u1e s ARG 175 CO 0.00 0.31 -0.24 0.08 -1.08 0.00 0.00 175.30 174.37 1u1e s VAL 176 N -1.33 2.02 0.50 4.99 1.01 -1.26 -4.91 120.40 121.43 1u1e s VAL 176 Ca 0.08 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1u1e s VAL 176 Cb -0.09 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 1u1e s VAL 176 CO 0.05 0.56 1.14 0.55 0.00 0.00 0.00 175.10 177.40 1u1e n VAL 177 N 3.06 3.16 -0.31 2.92 3.14 -1.26 -4.69 118.33 124.35 1u1e n VAL 177 Ca -0.18 -0.50 0.14 0.00 -2.96 0.00 0.00 64.34 60.84 1u1e n VAL 177 Cb 0.52 -1.38 0.29 0.00 -1.06 0.00 0.00 33.84 32.21 1u1e n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1e h ARG 178 N 1.34 0.12 -0.71 1.45 2.43 -1.99 -0.78 114.38 116.24 1u1e h ARG 178 Ca -0.48 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1u1e h ARG 178 Cb 1.33 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 1u1e h ARG 178 CO 0.56 0.08 0.47 1.25 -1.51 0.00 0.00 179.97 180.82 1u1e h HIS 179 N 0.13 0.61 -0.17 2.20 2.76 -2.02 -2.30 115.15 116.37 1u1e h HIS 179 Ca 0.56 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1u1e h HIS 179 Cb 1.16 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1u1e h HIS 179 CO -0.33 0.28 0.00 1.19 -1.30 0.00 0.00 177.93 177.77 1u1e n PHE 180 N -4.49 0.20 -2.13 5.26 3.01 -0.33 -4.83 117.46 114.15 1u1e n PHE 180 Ca 0.12 -0.12 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1u1e n PHE 180 Cb 0.36 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 1u1e n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1e s LYS 181 N -1.53 4.23 -0.33 -1.08 -0.14 -0.87 -2.43 119.74 117.59 1u1e s LYS 181 Ca 0.28 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.95 1u1e s LYS 181 Cb 0.18 -3.76 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 1u1e s LYS 181 CO 0.26 -0.72 0.00 0.41 -0.76 0.00 0.00 175.35 174.54 1u1e n GLY 182 N 3.87 0.56 0.15 -3.33 0.00 -1.26 -4.91 105.19 100.27 1u1e n GLY 182 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1u1e n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1e h SER 183 N 0.00 0.14 -0.65 1.61 4.64 -1.80 -2.98 113.55 114.50 1u1e h SER 183 Ca -0.06 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1u1e h SER 183 Cb 0.46 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1u1e h SER 183 CO 0.09 0.75 0.21 -0.03 -0.87 0.00 0.00 176.83 176.99 1u1e h MET 184 N 0.08 1.01 -0.50 4.77 -1.53 -1.91 -1.19 114.93 115.67 1u1e h MET 184 Ca -0.01 -0.21 -0.05 0.00 -3.44 0.00 0.00 59.70 55.98 1u1e h MET 184 Cb 1.17 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 32.05 1u1e h MET 184 CO 0.09 0.88 0.09 1.49 0.14 0.00 0.00 176.91 179.60 1u1e h GLU 185 N 0.94 0.77 0.01 0.39 4.81 -1.97 -1.04 114.58 118.50 1u1e h GLU 185 Ca 0.21 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1u1e h GLU 185 Cb 0.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1u1e h GLU 185 CO -0.01 0.72 -0.01 0.93 -0.73 0.00 0.00 179.01 179.91 1u1e h GLU 186 N 0.74 -0.02 -0.64 1.92 4.39 -1.26 -1.58 114.58 118.12 1u1e h GLU 186 Ca 0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1u1e h GLU 186 Cb 0.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1u1e h GLU 186 CO 0.00 0.07 0.20 -1.49 -1.16 0.00 0.00 179.01 176.63 1u1e h TRP 187 N -0.09 1.00 -0.27 4.33 -0.00 -1.12 -2.25 115.95 117.56 1u1e h TRP 187 Ca -0.00 -0.09 0.03 0.00 -0.00 0.00 0.00 58.89 58.83 1u1e h TRP 187 Cb 0.09 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 28.92 1u1e h TRP 187 CO -0.05 0.80 0.10 1.96 -0.00 0.00 0.00 178.44 181.25 1u1e h GLN 188 N 0.95 0.21 0.00 0.49 4.20 -1.02 -0.30 115.11 119.64 1u1e h GLN 188 Ca 0.21 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 1u1e h GLN 188 Cb 0.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1u1e h GLN 188 CO -0.01 0.14 -0.26 0.00 -0.67 0.00 0.00 178.83 178.03 1u1e h ALA 189 N 1.16 1.38 -0.06 3.87 0.00 -1.13 -2.25 119.26 122.23 1u1e h ALA 189 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u1e h ALA 189 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1u1e h ALA 189 CO -0.12 0.33 0.00 -1.33 0.00 0.00 0.00 179.25 178.14 1u1e n MET 190 N -3.95 1.35 -1.03 0.00 2.81 -0.86 -4.91 117.12 110.53 1u1e n MET 190 Ca -0.02 -0.53 -0.01 0.00 -1.81 0.00 0.00 57.70 55.34 1u1e n MET 190 Cb 0.34 -1.38 -0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1u1e n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1e n GLY 191 N 0.99 0.49 3.71 3.03 0.00 -0.85 -5.00 105.19 107.56 1u1e n GLY 191 Ca 0.17 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1u1e n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1e s VAL 192 N -2.00 2.81 0.06 1.61 1.01 -0.18 -4.58 120.40 119.13 1u1e s VAL 192 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 1u1e s VAL 192 Cb 0.00 -3.34 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 1u1e s VAL 192 CO 0.00 0.03 1.21 0.24 0.00 0.00 0.00 175.10 176.58 1u1e h MET 193 N 7.14 0.63 -2.79 2.72 0.00 -1.29 -3.42 114.93 117.92 1u1e h MET 193 Ca -0.42 -0.59 0.10 0.00 0.00 0.00 0.00 59.70 58.79 1u1e h MET 193 Cb 1.20 0.15 -0.06 0.00 0.00 0.00 0.00 31.60 32.89 1u1e h MET 193 CO 0.91 1.20 0.31 0.54 0.00 0.00 0.00 176.91 179.88 1u1e s ASN 194 N -6.99 -0.22 -0.11 1.22 6.03 -1.26 -1.22 114.94 112.39 1u1e s ASN 194 Ca -0.11 -0.56 0.01 0.00 -1.03 0.00 0.00 52.86 51.17 1u1e s ASN 194 Cb 0.06 0.66 -0.01 0.00 -3.03 0.00 0.00 41.25 38.93 1u1e s ASN 194 CO 0.88 -1.22 -0.16 -0.31 -2.03 0.00 0.00 177.10 174.26 1u1e s TYR 195 N -3.66 2.73 0.01 1.54 4.12 -0.08 -0.87 117.35 121.14 1u1e s TYR 195 Ca 0.12 -0.67 -0.00 0.00 0.02 0.00 0.00 57.07 56.54 1u1e s TYR 195 Cb -0.05 -1.78 0.00 0.00 -1.52 0.00 0.00 41.96 38.61 1u1e s TYR 195 CO 0.06 -0.21 0.01 -0.85 0.02 0.00 0.00 175.55 174.58 1u1e n GLU 196 N 3.36 0.02 0.00 -0.62 -0.00 -0.80 -2.38 120.64 120.22 1u1e n GLU 196 Ca -0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 57.16 56.90 1u1e n GLU 196 Cb 0.53 0.08 0.00 0.00 -0.00 0.00 0.00 31.44 32.04 1u1e n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1e n MET 197 N -0.02 0.40 0.00 3.44 2.81 -1.26 -0.60 117.12 121.89 1u1e n MET 197 Ca 0.00 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 1u1e n MET 197 Cb 0.02 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1u1e n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1e n GLU 198 N -0.13 2.48 -0.27 0.03 4.71 -1.26 -3.62 120.64 122.58 1u1e n GLU 198 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1u1e n GLU 198 Cb 0.20 -0.77 0.06 0.00 -1.01 0.00 0.00 31.44 29.91 1u1e n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1e h SER 199 N 0.00 0.93 -0.55 1.62 4.64 -1.94 -2.28 113.55 115.97 1u1e h SER 199 Ca 0.00 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1u1e h SER 199 Cb 0.24 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1u1e h SER 199 CO 0.00 0.75 0.26 0.00 -0.87 0.00 0.00 176.83 176.97 1u1e h ALA 200 N 1.21 0.71 0.13 5.18 0.00 -1.87 0.20 119.26 124.82 1u1e h ALA 200 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1u1e h ALA 200 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u1e h ALA 200 CO -0.04 -0.11 -0.06 1.15 0.00 0.00 0.00 179.25 180.18 1u1e h THR 201 N 0.49 1.02 -0.04 0.00 2.02 -1.88 -2.51 112.91 112.00 1u1e h THR 201 Ca 0.25 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1u1e h THR 201 Cb 0.21 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1u1e h THR 201 CO -0.20 0.17 -0.09 0.25 0.37 0.00 0.00 175.52 176.02 1u1e h LEU 202 N -0.53 -0.26 -0.50 2.58 5.85 -1.14 -1.41 115.31 119.91 1u1e h LEU 202 Ca -0.02 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1u1e h LEU 202 Cb 0.41 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1u1e h LEU 202 CO 0.03 -0.12 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.84 1u1e h LEU 203 N -0.13 0.95 -0.02 2.25 3.38 -0.70 -2.32 115.31 118.72 1u1e h LEU 203 Ca 0.05 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1u1e h LEU 203 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1u1e h LEU 203 CO -0.12 1.08 0.00 0.74 0.09 0.00 0.00 178.44 180.23 1u1e h THR 204 N 0.81 1.24 0.00 0.22 2.02 -1.39 -2.08 112.91 113.73 1u1e h THR 204 Ca 0.13 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1u1e h THR 204 Cb 0.65 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1u1e h THR 204 CO 0.04 0.19 -0.28 0.00 0.37 0.00 0.00 175.52 175.84 1u1e h MET 205 N -0.26 0.00 0.10 6.66 -0.00 -1.26 -1.64 114.93 118.53 1u1e h MET 205 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 1u1e h MET 205 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1u1e h MET 205 CO 0.00 0.28 -0.66 0.00 -0.00 0.00 0.00 176.91 176.53 1u1e h ALA 207 N 0.03 1.08 -0.47 0.00 0.00 -1.26 0.12 119.26 118.75 1u1e h ALA 207 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u1e h ALA 207 Cb 1.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1u1e h ALA 207 CO 0.09 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1u1e n SER 208 N -3.35 3.01 -0.22 0.00 3.41 -0.63 -4.25 113.62 111.60 1u1e n SER 208 Ca -0.00 -1.96 0.01 0.00 -0.26 0.00 0.00 58.87 56.66 1u1e n SER 208 Cb 0.32 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1u1e n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1e n GLN 209 N 1.16 0.32 -1.13 4.33 6.02 -0.88 -5.01 117.38 122.19 1u1e n GLN 209 Ca 0.19 -0.94 -0.05 0.00 -0.01 0.00 0.00 57.00 56.19 1u1e n GLN 209 Cb 0.50 -0.61 -0.02 0.00 1.02 0.00 0.00 30.24 31.13 1u1e n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1e n GLY 210 N -0.15 0.73 3.86 1.08 0.00 -0.99 -5.02 105.19 104.70 1u1e n GLY 210 Ca 0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1u1e n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1e s LEU 211 N -1.06 4.23 -0.01 0.99 1.43 0.37 -5.03 118.68 119.59 1u1e s LEU 211 Ca 0.00 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 1u1e s LEU 211 Cb 0.00 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1u1e s LEU 211 CO 0.00 0.30 0.56 -0.13 0.23 0.00 0.00 176.35 177.31 1u1e s ARG 212 N -1.68 4.28 -0.01 1.70 0.52 -0.75 -3.73 118.95 119.29 1u1e s ARG 212 Ca 0.23 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 1u1e s ARG 212 Cb -0.12 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.02 1u1e s ARG 212 CO 0.14 0.39 0.01 0.00 0.02 0.00 0.00 175.30 175.86 1u1e s ALA 213 N -0.23 0.06 0.07 2.13 0.00 -1.26 -0.34 121.76 122.19 1u1e s ALA 213 Ca 0.30 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1u1e s ALA 213 Cb -0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1u1e s ALA 213 CO 0.16 -0.03 -0.15 0.20 0.00 0.00 0.00 175.76 175.94 1u1e s GLY 214 N 0.39 0.88 -0.07 0.00 0.00 0.11 -0.54 107.32 108.09 1u1e s GLY 214 Ca -0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1u1e s GLY 214 CO -0.01 -1.00 -0.02 -0.29 0.00 0.00 0.00 173.10 171.78 1u1e s MET 215 N -1.62 0.79 0.02 2.90 1.75 -1.26 -0.25 119.30 121.63 1u1e s MET 215 Ca -0.01 0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.46 1u1e s MET 215 Cb -0.10 -1.03 -0.02 0.00 2.84 0.00 0.00 34.83 36.53 1u1e s MET 215 CO 0.02 -0.24 -0.07 0.54 -0.65 0.00 0.00 175.02 174.62 1u1e s VAL 216 N 1.68 0.53 -0.02 10.11 0.11 -0.62 -1.72 120.40 130.47 1u1e s VAL 216 Ca 0.01 -0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 58.25 1u1e s VAL 216 Cb -0.13 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1u1e s VAL 216 CO -0.04 -0.13 0.25 0.00 -3.33 0.00 0.00 175.10 171.85 1u1e s ALA 217 N -0.78 -0.62 -0.15 1.54 0.00 -0.71 -2.14 121.76 118.90 1u1e s ALA 217 Ca -0.04 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1u1e s ALA 217 Cb -0.06 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1u1e s ALA 217 CO 0.00 -0.22 0.19 0.20 0.00 0.00 0.00 175.76 175.92 1u1e s GLY 218 N -1.12 2.15 -0.41 0.00 0.00 -0.95 -0.99 107.32 105.99 1u1e s GLY 218 Ca -0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 1u1e s GLY 218 CO 0.03 0.03 1.22 0.14 0.00 0.00 0.00 173.10 174.51 1u1e s VAL 219 N -0.18 4.17 -0.42 1.40 1.01 0.01 -2.00 120.40 124.38 1u1e s VAL 219 Ca 0.13 1.25 0.14 0.00 0.00 0.00 0.00 61.98 63.50 1u1e s VAL 219 Cb -0.12 -4.41 -0.18 0.00 0.00 0.00 0.00 36.38 31.67 1u1e s VAL 219 CO 0.02 -0.78 0.49 2.30 0.00 0.00 0.00 175.10 177.13 1u1e n ILE 220 N 6.64 0.00 -3.84 2.22 -5.35 -1.05 -0.10 119.36 117.87 1u1e n ILE 220 Ca 0.13 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1u1e n ILE 220 Cb 0.48 0.69 -0.12 0.00 -1.74 0.00 0.00 39.64 38.96 1u1e n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1e s VAL 221 N -2.57 0.03 -0.19 7.28 0.11 -1.24 -4.68 120.40 119.14 1u1e s VAL 221 Ca 0.01 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1u1e s VAL 221 Cb 0.10 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 1u1e s VAL 221 CO 0.58 -0.13 -0.13 0.21 -3.33 0.00 0.00 175.10 172.30 1u1e s ASN 222 N -0.42 3.70 0.36 3.54 3.84 -1.26 -0.95 114.94 123.75 1u1e s ASN 222 Ca -0.05 -0.51 0.27 0.00 0.21 0.00 0.00 52.86 52.78 1u1e s ASN 222 Cb -0.03 -1.60 1.10 0.00 -0.55 0.00 0.00 41.25 40.17 1u1e s ASN 222 CO 0.01 0.01 1.81 0.03 -2.79 0.00 0.00 177.10 176.16 1u1e h ARG 223 N 7.90 0.00 -0.22 0.43 2.47 -1.15 -2.91 114.38 120.90 1u1e h ARG 223 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1u1e h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1u1e h ARG 223 CO 0.61 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.39 1u1e n THR 224 N -2.55 0.27 0.07 2.04 -2.24 -1.26 -4.65 114.28 105.96 1u1e n THR 224 Ca 0.02 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1u1e n THR 224 Cb 0.27 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1u1e n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1e n GLN 225 N 0.61 0.00 -3.81 -0.78 10.64 -1.11 -5.10 117.38 117.84 1u1e n GLN 225 Ca 0.17 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.21 1u1e n GLN 225 Cb 0.40 -0.15 -0.11 0.00 -0.86 0.00 0.00 30.24 29.52 1u1e n GLN 225 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1u1e s GLN 226 N -2.00 0.31 -0.11 2.61 -2.07 -1.15 -5.08 119.66 112.17 1u1e s GLN 226 Ca 0.00 0.18 -0.11 0.00 -1.82 0.00 0.00 55.36 53.61 1u1e s GLN 226 Cb 0.00 0.14 -0.27 0.00 -1.09 0.00 0.00 33.01 31.80 1u1e s GLN 226 CO 0.00 -0.05 0.46 1.49 -1.32 0.00 0.00 175.29 175.87 1u1e h GLU 227 N 5.49 0.26 -5.67 9.60 4.57 -1.92 -3.38 114.58 123.52 1u1e h GLU 227 Ca -0.26 -0.44 -0.60 0.00 -1.18 0.00 0.00 59.36 56.87 1u1e h GLU 227 Cb 1.19 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.85 1u1e h GLU 227 CO 0.38 1.21 0.34 0.42 -1.18 0.00 0.00 179.01 180.18 1u1e s ILE 228 N -2.52 4.90 0.79 2.32 1.01 -1.26 -4.99 121.20 121.44 1u1e s ILE 228 Ca -0.21 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 61.71 1u1e s ILE 228 Cb 0.06 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.55 1u1e s ILE 228 CO 0.77 -0.03 1.09 -2.84 0.00 0.00 0.00 174.94 173.92 1u1e s PRO 229 N 2.70 2.14 0.12 2.79 0.02 -1.26 -5.04 135.00 136.47 1u1e s PRO 229 Ca 0.31 0.76 -0.25 0.00 0.02 0.00 0.00 61.00 61.84 1u1e s PRO 229 Cb -0.15 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 1u1e s PRO 229 CO 0.08 -1.61 0.76 1.21 -0.33 0.00 0.00 177.00 177.11 1u1e s ASN 230 N -3.79 7.31 -0.06 2.53 2.47 -1.26 -4.96 114.94 117.18 1u1e s ASN 230 Ca 0.61 1.55 -0.00 0.00 0.42 0.00 0.00 52.86 55.44 1u1e s ASN 230 Cb -0.15 -2.48 0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1u1e s ASN 230 CO 0.55 0.14 1.84 0.00 -3.72 0.00 0.00 177.10 175.91 1u1e n ALA 231 N 2.04 3.97 0.00 1.71 0.00 -1.26 -2.95 120.51 124.02 1u1e n ALA 231 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1u1e n ALA 231 Cb 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1u1e n ALA 231 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u1e n GLU 232 N 1.10 0.00 0.23 0.00 0.00 -1.26 -4.90 120.64 115.81 1u1e n GLU 232 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.32 1u1e n GLU 232 Cb 0.53 -0.06 0.56 0.00 0.00 0.00 0.00 31.44 32.48 1u1e n GLU 232 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1u1e h THR 233 N 0.00 0.71 -0.24 6.31 2.02 -1.99 -2.95 112.91 116.77 1u1e h THR 233 Ca 0.00 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1u1e h THR 233 Cb 0.00 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1u1e h THR 233 CO 0.00 0.21 0.14 0.24 0.37 0.00 0.00 175.52 176.48 1u1e h MET 234 N 0.00 0.33 -0.33 6.66 2.86 -1.88 -1.46 114.93 121.11 1u1e h MET 234 Ca -0.00 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1u1e h MET 234 Cb 0.54 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1u1e h MET 234 CO 0.03 0.28 -0.31 0.87 1.06 0.00 0.00 176.91 178.83 1u1e h LYS 235 N 0.30 0.72 -0.55 1.72 6.56 -1.82 -1.75 116.57 121.74 1u1e h LYS 235 Ca 0.09 -0.33 -0.06 0.00 -1.06 0.00 0.00 60.65 59.29 1u1e h LYS 235 Cb 0.03 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1u1e h LYS 235 CO -0.02 0.94 0.10 0.37 -2.06 0.00 0.00 179.45 178.78 1u1e h GLN 236 N 0.61 0.91 -0.41 3.15 5.75 -1.43 -1.29 115.11 122.40 1u1e h GLN 236 Ca 0.07 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.21 1u1e h GLN 236 Cb 0.83 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1u1e h GLN 236 CO 0.07 0.87 -0.23 1.15 -2.65 0.00 0.00 178.83 178.04 1u1e h THR 237 N 0.80 1.28 -0.44 2.39 2.02 -1.20 -1.35 112.91 116.40 1u1e h THR 237 Ca 0.17 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1u1e h THR 237 Cb 0.40 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1u1e h THR 237 CO 0.01 0.46 0.25 -0.08 0.37 0.00 0.00 175.52 176.54 1u1e h GLU 238 N 0.69 0.61 0.00 6.66 4.81 -1.24 -1.53 114.58 124.58 1u1e h GLU 238 Ca 0.09 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1u1e h GLU 238 Cb 0.80 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1u1e h GLU 238 CO 0.07 0.47 -0.39 1.03 -0.73 0.00 0.00 179.01 179.46 1u1e h SER 239 N 0.58 0.00 -0.28 1.04 0.87 -1.20 -2.47 113.55 112.09 1u1e h SER 239 Ca 0.16 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 1u1e h SER 239 Cb 0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1u1e h SER 239 CO -0.03 0.39 -0.31 -0.74 -0.53 0.00 0.00 176.83 175.61 1u1e h HIS 240 N 0.00 0.85 -0.09 2.24 2.76 -0.87 -3.12 115.15 116.92 1u1e h HIS 240 Ca -0.00 -0.27 -0.13 0.00 -2.20 0.00 0.00 60.37 57.77 1u1e h HIS 240 Cb 0.71 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1u1e h HIS 240 CO 0.00 1.02 -0.52 0.00 -1.30 0.00 0.00 177.93 177.13 1u1e h ALA 241 N 0.69 0.94 -0.65 5.26 0.00 -1.18 -3.14 119.26 121.19 1u1e h ALA 241 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1u1e h ALA 241 Cb 0.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1u1e h ALA 241 CO 0.08 0.67 0.32 0.28 0.00 0.00 0.00 179.25 180.60 1u1e h VAL 242 N 0.21 1.22 -0.73 0.00 2.07 -1.47 -2.48 116.25 115.05 1u1e h VAL 242 Ca 0.01 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1u1e h VAL 242 Cb 0.99 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1u1e h VAL 242 CO 0.08 0.25 0.48 0.11 0.02 0.00 0.00 177.57 178.51 1u1e h LYS 243 N 0.89 0.80 -0.18 1.57 1.57 -1.49 -2.33 116.57 117.40 1u1e h LYS 243 Ca 0.22 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1u1e h LYS 243 Cb 0.10 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1u1e h LYS 243 CO -0.03 0.53 -0.07 0.82 -0.57 0.00 0.00 179.45 180.12 1u1e h ILE 244 N 0.82 1.30 0.00 1.86 2.04 -1.49 -2.55 117.51 119.51 1u1e h ILE 244 Ca 0.31 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1u1e h ILE 244 Cb 0.17 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1u1e h ILE 244 CO -0.10 0.33 -0.32 1.62 0.00 0.00 0.00 178.15 179.69 1u1e h VAL 245 N 0.06 1.18 0.05 1.67 3.04 -1.10 0.55 116.25 121.70 1u1e h VAL 245 Ca 0.04 -1.10 -0.27 0.00 -1.01 0.00 0.00 66.70 64.36 1u1e h VAL 245 Cb 0.54 1.60 0.02 0.00 -2.01 0.00 0.00 31.29 31.45 1u1e h VAL 245 CO 0.02 0.31 -1.09 0.58 -1.01 0.00 0.00 177.57 176.38 1u1e h VAL 246 N 0.00 1.29 -0.46 1.51 2.07 -1.47 -2.18 116.25 117.02 1u1e h VAL 246 Ca -0.00 -2.32 -0.08 0.00 0.82 0.00 0.00 66.70 65.12 1u1e h VAL 246 Cb 0.58 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1u1e h VAL 246 CO 0.04 0.71 -0.03 -0.08 0.02 0.00 0.00 177.57 178.23 1u1e h GLU 247 N 0.29 0.78 -0.17 1.57 4.57 -1.14 -2.50 114.58 117.97 1u1e h GLU 247 Ca -0.15 -0.22 -0.13 0.00 -1.18 0.00 0.00 59.36 57.68 1u1e h GLU 247 Cb 1.76 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.25 1u1e h GLU 247 CO 0.21 0.81 -0.45 0.00 -1.18 0.00 0.00 179.01 178.40 1u1e h ALA 248 N 1.24 0.92 -0.01 2.92 0.00 -0.93 -3.00 119.26 120.39 1u1e h ALA 248 Ca 0.14 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1u1e h ALA 248 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1u1e h ALA 248 CO 0.02 0.64 -0.28 0.00 0.00 0.00 0.00 179.25 179.64 1u1e h ALA 249 N 1.19 1.52 -0.72 0.00 0.00 -1.10 -2.64 119.26 117.50 1u1e h ALA 249 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1u1e h ALA 249 Cb 0.92 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1u1e h ALA 249 CO 0.08 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.89 1u1e h ARG 250 N 0.02 1.13 0.00 0.00 3.08 -1.31 -2.93 114.38 114.37 1u1e h ARG 250 Ca 0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1u1e h ARG 250 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1u1e h ARG 250 CO 0.04 0.97 0.00 0.00 -1.07 0.00 0.00 179.97 179.91 1u1e h ARG 251 N 1.08 0.00 0.00 0.04 3.08 -1.47 -3.28 114.38 113.82 1u1e h ARG 251 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1u1e h ARG 251 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1u1e h ARG 251 CO -0.00 0.00 -1.05 1.28 -1.07 0.00 0.00 179.97 179.13 1u1e n LEU 252 N -2.36 0.64 0.00 3.04 4.77 -1.12 -5.06 117.00 116.91 1u1e n LEU 252 Ca 0.04 -0.39 0.13 0.00 -0.03 0.00 0.00 56.01 55.76 1u1e n LEU 252 Cb 0.36 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.24 1u1e n LEU 252 CO 0.27 0.16 0.96 0.18 -1.33 0.00 0.00 177.39 177.63