#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1g s SER 4 N 0.00 -0.57 0.00 3.14 0.15 -1.26 -4.27 113.70 110.88 1u1g s SER 4 Ca 0.00 1.03 0.23 0.00 0.70 0.00 0.00 55.95 57.92 1u1g s SER 4 Cb 0.00 0.99 0.10 0.00 -1.71 0.00 0.00 66.02 65.40 1u1g s SER 4 CO 0.00 -0.19 1.16 0.47 1.20 0.00 0.00 173.24 175.88 1u1g n ASP 5 N 3.42 1.89 -4.43 5.45 8.00 0.52 -4.88 116.55 126.52 1u1g n ASP 5 Ca -0.17 -1.43 -0.21 0.00 0.71 0.00 0.00 54.79 53.69 1u1g n ASP 5 Cb 0.56 0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 41.99 1u1g n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u1g s VAL 6 N -2.48 1.31 0.15 2.53 -7.23 -1.24 -5.05 120.40 108.39 1u1g s VAL 6 Ca 0.19 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1u1g s VAL 6 Cb 0.18 -2.65 -0.16 0.00 0.56 0.00 0.00 36.38 34.31 1u1g s VAL 6 CO 0.57 -0.12 1.35 -0.26 -0.31 0.00 0.00 175.10 176.32 1u1g h PHE 7 N 2.19 0.53 0.00 2.82 0.04 -1.95 -3.41 116.94 117.16 1u1g h PHE 7 Ca -0.40 -0.28 -0.06 0.00 2.80 0.00 0.00 57.97 60.03 1u1g h PHE 7 Cb 1.24 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 1u1g h PHE 7 CO 0.61 1.08 -1.23 0.72 -0.60 0.00 0.00 178.31 178.89 1u1g n HIS 8 N -3.75 0.00 0.19 -0.55 8.25 -1.26 -4.82 115.22 113.28 1u1g n HIS 8 Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1u1g n HIS 8 Cb 0.80 -0.15 0.35 0.00 1.12 0.00 0.00 29.99 32.11 1u1g n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1g h LEU 9 N -0.05 0.00 -1.21 2.41 3.38 -1.93 -3.46 115.31 114.45 1u1g h LEU 9 Ca -0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1u1g h LEU 9 Cb 1.12 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.92 1u1g h LEU 9 CO -0.03 0.39 -0.23 0.61 0.09 0.00 0.00 178.44 179.26 1u1g n GLY 10 N 0.07 0.38 3.09 0.83 0.00 -1.26 -4.72 105.19 103.58 1u1g n GLY 10 Ca -0.01 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1u1g n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1g s LEU 11 N -3.19 2.11 0.30 0.99 1.43 -1.26 -4.78 118.68 114.29 1u1g s LEU 11 Ca 0.14 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1u1g s LEU 11 Cb -0.06 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 1u1g s LEU 11 CO 0.24 0.05 0.46 0.42 0.23 0.00 0.00 176.35 177.75 1u1g s THR 12 N -0.64 5.05 0.42 5.49 -4.23 -1.26 -0.35 115.64 120.12 1u1g s THR 12 Ca 0.01 -0.74 0.10 0.00 -1.18 0.00 0.00 61.69 59.89 1u1g s THR 12 Cb -0.06 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.16 1u1g s THR 12 CO 0.00 -0.42 1.99 0.50 -0.54 0.00 0.00 174.62 176.15 1u1g h LYS 13 N 0.93 0.24 0.00 3.99 3.64 -1.96 -2.24 116.57 121.17 1u1g h LYS 13 Ca -0.50 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 1u1g h LYS 13 Cb 1.23 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1u1g h LYS 13 CO 0.60 0.30 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.98 1u1g h ASN 14 N 0.23 0.00 -0.26 4.20 -0.73 -1.95 -2.83 115.58 114.25 1u1g h ASN 14 Ca 0.05 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1u1g h ASN 14 Cb 0.23 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1u1g h ASN 14 CO 0.01 0.13 0.11 0.44 -0.37 0.00 0.00 177.43 177.75 1u1g h ASP 15 N 0.00 0.41 1.10 1.15 3.32 -1.80 -2.92 116.42 117.68 1u1g h ASP 15 Ca -0.00 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1u1g h ASP 15 Cb 0.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1u1g h ASP 15 CO 0.02 0.39 -0.34 -0.07 -1.72 0.00 0.00 179.24 177.52 1u1g h LEU 16 N 0.45 0.00 1.61 1.55 3.38 -1.62 -3.48 115.31 117.21 1u1g h LEU 16 Ca 0.11 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.68 1u1g h LEU 16 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.91 1u1g h LEU 16 CO -0.01 0.34 -0.57 0.00 0.09 0.00 0.00 178.44 178.29 1u1g n GLN 17 N -3.37 -3.78 -0.16 1.13 6.02 -1.11 -2.56 117.38 113.55 1u1g n GLN 17 Ca 0.01 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 1u1g n GLN 17 Cb 0.54 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 26.12 1u1g n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1g n GLY 18 N -1.33 0.70 3.77 1.08 0.00 -1.26 -4.85 105.19 103.30 1u1g n GLY 18 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1u1g n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g s ALA 19 N -2.20 3.59 0.00 4.61 0.00 -1.06 -4.93 121.76 121.77 1u1g s ALA 19 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1u1g s ALA 19 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1u1g s ALA 19 CO 0.00 -0.92 0.08 0.25 0.00 0.00 0.00 175.76 175.17 1u1g n THR 20 N 1.01 0.00 -5.19 0.00 -2.24 -1.26 -4.33 114.28 102.27 1u1g n THR 20 Ca 0.03 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 1u1g n THR 20 Cb 0.40 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 1u1g n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1g s LEU 21 N -1.28 2.24 -0.03 3.22 0.20 -1.26 0.04 118.68 121.81 1u1g s LEU 21 Ca 0.00 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.43 1u1g s LEU 21 Cb 0.00 -1.40 0.02 0.00 -0.43 0.00 0.00 46.19 44.38 1u1g s LEU 21 CO 0.00 0.33 -0.03 0.00 -0.29 0.00 0.00 176.35 176.36 1u1g s ALA 22 N -0.65 0.48 -0.16 5.97 0.00 -0.28 -2.30 121.76 124.83 1u1g s ALA 22 Ca 0.10 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 1u1g s ALA 22 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1u1g s ALA 22 CO -0.01 -0.01 0.57 0.42 0.00 0.00 0.00 175.76 176.74 1u1g s ILE 23 N 0.74 5.09 -0.46 0.00 1.01 -0.17 -1.35 121.20 126.06 1u1g s ILE 23 Ca -0.09 1.10 0.04 0.00 0.00 0.00 0.00 60.65 61.70 1u1g s ILE 23 Cb -0.12 -3.90 0.12 0.00 0.01 0.00 0.00 42.46 38.57 1u1g s ILE 23 CO -0.01 0.21 0.19 0.68 0.00 0.00 0.00 174.94 176.01 1u1g s VAL 24 N 1.34 2.35 0.87 2.92 -7.23 0.10 -2.12 120.40 118.62 1u1g s VAL 24 Ca 0.28 -2.93 -0.11 0.00 -1.81 0.00 0.00 61.98 57.41 1u1g s VAL 24 Cb -0.16 -2.66 0.16 0.00 0.56 0.00 0.00 36.38 34.27 1u1g s VAL 24 CO 0.11 -0.75 1.20 -2.16 -0.31 0.00 0.00 175.10 173.20 1u1g s PRO 25 N 0.15 1.18 -0.19 4.82 0.04 -1.24 -3.55 135.00 136.21 1u1g s PRO 25 Ca 0.15 -0.49 -0.05 0.00 0.04 0.00 0.00 61.00 60.65 1u1g s PRO 25 Cb -0.24 -2.00 -0.21 0.00 0.04 0.00 0.00 34.50 32.09 1u1g s PRO 25 CO -0.03 -1.99 0.09 0.41 0.04 0.00 0.00 177.00 175.52 1u1g n GLY 26 N -3.43 -0.50 3.66 0.56 0.00 -1.26 -1.17 105.19 103.06 1u1g n GLY 26 Ca 0.14 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1u1g n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u1g s ASP 27 N -6.87 6.96 0.53 1.61 -1.08 -1.26 -1.83 116.67 114.72 1u1g s ASP 27 Ca -0.29 1.18 0.21 0.00 -0.52 0.00 0.00 52.55 53.13 1u1g s ASP 27 Cb 0.08 -2.47 1.35 0.00 -1.46 0.00 0.00 42.92 40.42 1u1g s ASP 27 CO 0.67 -0.47 2.08 -0.65 0.52 0.00 0.00 175.17 177.32 1u1g h PRO 28 N 7.43 0.00 -0.00 4.34 0.11 -1.91 -2.33 132.00 139.63 1u1g h PRO 28 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1u1g h PRO 28 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u1g h PRO 28 CO 0.87 0.00 -0.08 -0.25 -0.21 0.00 0.00 178.00 178.33 1u1g n ASP 29 N -4.43 0.44 -0.00 -2.05 9.92 -1.26 -3.29 116.55 115.87 1u1g n ASP 29 Ca 0.03 -0.65 0.10 0.00 -0.53 0.00 0.00 54.79 53.74 1u1g n ASP 29 Cb 0.33 -0.08 -0.04 0.00 -0.64 0.00 0.00 41.12 40.69 1u1g n ASP 29 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1u1g n ARG 30 N -0.91 0.01 -0.18 -1.24 1.74 -0.88 -4.49 116.66 110.71 1u1g n ARG 30 Ca 0.16 -0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.16 1u1g n ARG 30 Cb 0.26 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 1u1g n ARG 30 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u1g h VAL 31 N 0.02 1.15 -0.39 1.55 2.07 -1.62 -2.72 116.25 116.31 1u1g h VAL 31 Ca 0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1u1g h VAL 31 Cb 0.50 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1u1g h VAL 31 CO 0.00 0.14 0.10 -0.08 0.02 0.00 0.00 177.57 177.76 1u1g h GLU 32 N 0.70 0.57 -0.54 1.57 4.81 -1.81 -2.13 114.58 117.74 1u1g h GLU 32 Ca 0.19 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1u1g h GLU 32 Cb -0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1u1g h GLU 32 CO -0.04 0.52 0.18 0.87 -0.73 0.00 0.00 179.01 179.81 1u1g h LYS 33 N 0.56 0.84 -0.21 1.92 1.57 -1.76 -1.26 116.57 118.24 1u1g h LYS 33 Ca 0.13 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1u1g h LYS 33 Cb 0.20 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1u1g h LYS 33 CO -0.00 0.77 -0.48 0.82 -0.57 0.00 0.00 179.45 179.98 1u1g h ILE 34 N 0.75 1.31 0.00 1.86 2.04 -1.41 -3.23 117.51 118.83 1u1g h ILE 34 Ca 0.18 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1u1g h ILE 34 Cb 0.27 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1u1g h ILE 34 CO -0.01 0.53 -0.27 0.00 0.00 0.00 0.00 178.15 178.41 1u1g h ALA 35 N 0.61 1.23 0.00 1.87 0.00 -1.33 -2.82 119.26 118.82 1u1g h ALA 35 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u1g h ALA 35 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1u1g h ALA 35 CO 0.10 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1u1g h ALA 36 N 1.73 1.00 0.00 0.00 0.00 -1.24 -2.91 119.26 117.84 1u1g h ALA 36 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1u1g h ALA 36 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u1g h ALA 36 CO 0.03 0.00 -0.43 -0.07 0.00 0.00 0.00 179.25 178.79 1u1g h LEU 37 N 0.00 0.00-10.52 0.00 -0.00 -1.58 -3.46 115.31 99.75 1u1g h LEU 37 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.88 57.44 1u1g h LEU 37 Cb 0.58 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.27 1u1g h LEU 37 CO 0.00 0.43 -0.14 -0.04 -0.00 0.00 0.00 178.44 178.68 1u1g s MET 38 N -3.44 2.55 0.36 1.13 -1.94 -1.10 -5.10 119.30 111.76 1u1g s MET 38 Ca 0.01 -1.21 -0.23 0.00 -1.71 0.00 0.00 55.69 52.54 1u1g s MET 38 Cb 0.10 -2.64 -0.10 0.00 2.01 0.00 0.00 34.83 34.20 1u1g s MET 38 CO 0.70 -0.60 0.93 -0.51 -0.01 0.00 0.00 175.02 175.53 1u1g s ASP 39 N -4.47 7.16 -0.72 3.03 1.01 -0.35 -4.49 116.67 117.84 1u1g s ASP 39 Ca 0.58 1.74 -0.07 0.00 0.71 0.00 0.00 52.55 55.51 1u1g s ASP 39 Cb -0.09 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1u1g s ASP 39 CO 0.36 -0.17 0.63 0.29 0.21 0.00 0.00 175.17 176.50 1u1g n LYS 40 N 0.11 -1.61 -3.03 8.23 5.02 -1.26 0.32 118.16 125.94 1u1g n LYS 40 Ca 0.04 1.12 -0.40 0.00 -2.02 0.00 0.00 58.31 57.05 1u1g n LYS 40 Cb 0.52 -3.25 -0.05 0.00 -0.02 0.00 0.00 35.03 32.22 1u1g n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1g s PRO 41 N -3.97 4.47 -0.04 1.97 0.04 -1.26 -4.14 135.00 132.06 1u1g s PRO 41 Ca 0.08 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1u1g s PRO 41 Cb -0.01 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1u1g s PRO 41 CO 0.85 0.38 0.12 0.54 0.04 0.00 0.00 177.00 178.93 1u1g s VAL 42 N -0.39 -0.00 -0.02 -0.36 0.11 -0.30 -5.01 120.40 114.43 1u1g s VAL 42 Ca 0.36 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 1u1g s VAL 42 Cb -0.21 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1u1g s VAL 42 CO 0.23 0.00 0.82 -0.75 -3.33 0.00 0.00 175.10 172.07 1u1g s LYS 43 N 0.08 4.50 -0.23 1.54 2.20 -1.26 -0.90 119.74 125.67 1u1g s LYS 43 Ca -0.00 1.13 -0.14 0.00 -0.36 0.00 0.00 55.97 56.60 1u1g s LYS 43 Cb -0.01 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 1u1g s LYS 43 CO 0.00 0.05 -0.32 1.28 -0.36 0.00 0.00 175.35 175.99 1u1g n LEU 44 N 3.70 1.80 -3.56 5.43 4.77 -0.49 -4.96 117.00 123.70 1u1g n LEU 44 Ca 0.02 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1u1g n LEU 44 Cb 0.51 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1u1g n LEU 44 CO 0.49 0.32 0.31 0.00 -1.33 0.00 0.00 177.39 177.17 1u1g s ALA 45 N -2.56 -1.40 -0.20 -1.18 0.00 -1.18 -5.03 121.76 110.21 1u1g s ALA 45 Ca -0.33 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1u1g s ALA 45 Cb 0.11 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.66 1u1g s ALA 45 CO 0.43 -0.50 0.11 0.45 0.00 0.00 0.00 175.76 176.25 1u1g s SER 46 N -1.90 2.56 -0.02 0.00 0.15 -1.26 -1.42 113.70 111.81 1u1g s SER 46 Ca -0.06 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1u1g s SER 46 Cb -0.01 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1u1g s SER 46 CO -0.01 -0.37 0.02 -1.00 1.20 0.00 0.00 173.24 173.08 1u1g s HIS 47 N 2.15 0.11 0.00 3.44 3.76 -0.41 -5.02 115.29 119.33 1u1g s HIS 47 Ca 0.04 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 1u1g s HIS 47 Cb -0.16 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.23 1u1g s HIS 47 CO -0.17 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.16 1u1g n ARG 48 N 4.21 0.00 -0.11 1.40 5.12 -1.26 -0.63 116.66 125.39 1u1g n ARG 48 Ca -0.27 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.76 1u1g n ARG 48 Cb 0.50 0.00 0.32 0.00 -1.16 0.00 0.00 32.46 32.12 1u1g n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1u1g n GLU 49 N 14.00 1.89 -3.55 5.56 0.00 -1.26 -4.85 120.64 132.43 1u1g n GLU 49 Ca 0.00 -1.34 -0.41 0.00 0.00 0.00 0.00 57.16 55.41 1u1g n GLU 49 Cb 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 31.44 29.93 1u1g n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1g s PHE 50 N -1.71 3.26 -0.14 -1.84 0.40 0.20 -4.36 117.98 113.80 1u1g s PHE 50 Ca 0.33 -1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 55.63 1u1g s PHE 50 Cb 0.18 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 1u1g s PHE 50 CO 0.26 -0.70 -0.11 0.99 0.70 0.00 0.00 175.22 176.36 1u1g s THR 51 N 1.56 3.22 -0.11 0.64 2.01 -1.26 -1.29 115.64 120.41 1u1g s THR 51 Ca 0.03 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1u1g s THR 51 Cb -0.21 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1u1g s THR 51 CO 0.06 0.52 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.43 1u1g s THR 52 N 0.37 1.79 0.13 -0.82 2.01 -0.51 -2.17 115.64 116.45 1u1g s THR 52 Ca -0.09 -0.83 0.11 0.00 0.31 0.00 0.00 61.69 61.18 1u1g s THR 52 Cb -0.16 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1u1g s THR 52 CO 0.05 0.50 -0.26 0.26 -0.69 0.00 0.00 174.62 174.48 1u1g s TRP 53 N 0.76 2.32 -0.05 4.92 0.52 0.10 -1.39 118.94 126.12 1u1g s TRP 53 Ca -0.10 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.70 1u1g s TRP 53 Cb -0.16 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1u1g s TRP 53 CO 0.01 0.35 -0.21 0.50 0.02 0.00 0.00 176.95 177.62 1u1g s ARG 54 N -2.08 2.50 0.29 4.98 3.52 -0.08 -1.25 118.95 126.83 1u1g s ARG 54 Ca 0.14 -0.82 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 1u1g s ARG 54 Cb -0.10 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 1u1g s ARG 54 CO 0.06 0.49 0.25 0.00 -0.81 0.00 0.00 175.30 175.30 1u1g s ALA 55 N -0.42 1.50 -0.07 6.12 0.00 -0.57 -1.15 121.76 127.17 1u1g s ALA 55 Ca 0.04 -1.88 0.05 0.00 0.00 0.00 0.00 51.96 50.18 1u1g s ALA 55 Cb -0.12 1.42 -0.01 0.00 0.00 0.00 0.00 23.12 24.41 1u1g s ALA 55 CO 0.02 -0.65 -0.24 -2.00 0.00 0.00 0.00 175.76 172.88 1u1g s GLU 56 N -3.66 2.67 -0.16 0.00 2.12 0.15 -0.67 118.70 119.14 1u1g s GLU 56 Ca 0.39 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 1u1g s GLU 56 Cb 0.04 -2.17 0.05 0.00 0.26 0.00 0.00 34.13 32.30 1u1g s GLU 56 CO 0.22 0.31 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.05 1u1g s LEU 57 N 0.01 1.38 -1.39 2.70 2.96 0.11 -1.21 118.68 123.25 1u1g s LEU 57 Ca -0.09 -0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 53.11 1u1g s LEU 57 Cb -0.15 -0.76 0.05 0.00 0.50 0.00 0.00 46.19 45.83 1u1g s LEU 57 CO 0.05 -0.22 0.56 0.47 -1.32 0.00 0.00 176.35 175.89 1u1g n ASP 58 N 4.96 -4.59 0.00 3.68 10.43 -1.26 -1.14 116.55 128.62 1u1g n ASP 58 Ca -0.10 -0.38 0.00 0.00 2.57 0.00 0.00 54.79 56.88 1u1g n ASP 58 Cb 0.48 -3.75 0.00 0.00 1.84 0.00 0.00 41.12 39.69 1u1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1g n GLY 59 N -1.32 0.72 3.27 0.44 0.00 -1.26 -5.05 105.19 101.98 1u1g n GLY 59 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1u1g n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1g s LYS 60 N -0.24 2.70 0.27 1.61 -0.14 -0.30 -5.11 119.74 118.53 1u1g s LYS 60 Ca 0.00 -0.88 -0.29 0.00 -1.36 0.00 0.00 55.97 53.43 1u1g s LYS 60 Cb 0.00 -2.22 -0.10 0.00 -1.68 0.00 0.00 37.83 33.83 1u1g s LYS 60 CO 0.00 0.34 1.35 -1.25 -0.76 0.00 0.00 175.35 175.03 1u1g s PRO 61 N -0.05 4.33 0.03 -1.68 0.04 -1.26 0.07 135.00 136.49 1u1g s PRO 61 Ca -0.07 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1u1g s PRO 61 Cb -0.15 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1u1g s PRO 61 CO 0.05 -0.28 -0.10 0.08 0.04 0.00 0.00 177.00 176.79 1u1g s VAL 62 N -0.47 0.75 -0.08 -0.36 1.01 0.15 -4.50 120.40 116.90 1u1g s VAL 62 Ca 0.54 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1u1g s VAL 62 Cb -0.40 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1u1g s VAL 62 CO 0.46 -0.10 0.01 -0.63 0.00 0.00 0.00 175.10 174.84 1u1g s ILE 63 N -0.86 4.39 -0.17 2.22 -1.09 -0.97 -1.51 121.20 123.20 1u1g s ILE 63 Ca -0.02 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1u1g s ILE 63 Cb -0.07 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1u1g s ILE 63 CO 0.01 0.59 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.43 1u1g s VAL 64 N -0.91 1.99 -0.04 2.92 1.01 -0.38 -1.00 120.40 124.00 1u1g s VAL 64 Ca 0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1u1g s VAL 64 Cb -0.11 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1u1g s VAL 64 CO 0.03 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.73 1u1g s SER 66 N 1.45 7.32 -0.11 0.00 1.04 -0.92 -3.66 113.70 118.82 1u1g s SER 66 Ca -0.05 1.90 0.19 0.00 0.48 0.00 0.00 55.95 58.47 1u1g s SER 66 Cb -0.12 -2.59 -0.27 0.00 0.10 0.00 0.00 66.02 63.13 1u1g s SER 66 CO -0.04 -0.08 0.26 0.35 0.98 0.00 0.00 173.24 174.71 1u1g n THR 67 N 0.67 0.64 0.00 2.02 -2.24 -0.31 -4.40 114.28 110.66 1u1g n THR 67 Ca 0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1u1g n THR 67 Cb 0.49 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1u1g n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1g n GLY 68 N 1.59 -0.87 3.70 3.38 0.00 -0.76 -3.65 105.19 108.58 1u1g n GLY 68 Ca -0.17 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1u1g n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1g s ILE 69 N -1.45 4.67 0.00 -0.61 1.01 -1.26 -4.74 121.20 118.82 1u1g s ILE 69 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1u1g s ILE 69 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1u1g s ILE 69 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1u1g n GLY 70 N 3.03 2.28 0.32 6.18 0.00 -1.26 -4.70 105.19 111.04 1u1g n GLY 70 Ca 0.07 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 1u1g n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1g h GLY 71 N 0.00 1.17 0.22 -0.02 0.00 -1.88 -2.84 103.07 99.72 1u1g h GLY 71 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 46.94 1u1g h GLY 71 CO 0.00 0.44 -0.22 -2.55 0.00 0.00 0.00 176.54 174.21 1u1g h PRO 72 N 1.12 -0.22 0.00 4.80 0.11 -1.95 0.21 132.00 136.06 1u1g h PRO 72 Ca 0.30 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1u1g h PRO 72 Cb -0.10 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1u1g h PRO 72 CO -0.06 -0.15 -0.61 0.66 -0.21 0.00 0.00 178.00 177.63 1u1g h SER 73 N -0.23 0.00 -0.68 -2.05 4.64 -1.82 -2.98 113.55 110.43 1u1g h SER 73 Ca 0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1u1g h SER 73 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1u1g h SER 73 CO -0.35 0.61 0.24 0.74 -0.87 0.00 0.00 176.83 177.20 1u1g h THR 74 N 0.00 1.25 -0.12 2.95 2.02 -1.21 -2.31 112.91 115.49 1u1g h THR 74 Ca -0.01 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 1u1g h THR 74 Cb 1.14 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1u1g h THR 74 CO 0.08 0.32 -0.19 0.77 0.37 0.00 0.00 175.52 176.87 1u1g h SER 75 N 0.97 0.20 -0.10 4.18 4.64 -0.45 -1.16 113.55 121.83 1u1g h SER 75 Ca 0.22 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1u1g h SER 75 Cb 0.25 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1u1g h SER 75 CO -0.01 0.41 -0.13 0.40 -0.87 0.00 0.00 176.83 176.62 1u1g h ILE 76 N 0.19 1.37 -0.49 0.95 2.04 -1.38 -2.61 117.51 117.58 1u1g h ILE 76 Ca 0.04 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1u1g h ILE 76 Cb 0.46 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1u1g h ILE 76 CO 0.03 0.38 0.22 0.00 0.00 0.00 0.00 178.15 178.78 1u1g h ALA 77 N 0.56 0.63 -0.25 1.87 0.00 -1.19 -2.23 119.26 118.65 1u1g h ALA 77 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1u1g h ALA 77 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u1g h ALA 77 CO 0.03 0.21 -0.02 0.28 0.00 0.00 0.00 179.25 179.75 1u1g h VAL 78 N 0.64 1.27 -0.43 0.00 2.07 -1.30 -1.79 116.25 116.71 1u1g h VAL 78 Ca 0.17 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1u1g h VAL 78 Cb 0.15 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1u1g h VAL 78 CO -0.02 0.30 0.27 -0.08 0.02 0.00 0.00 177.57 178.07 1u1g h GLU 79 N 0.21 0.57 0.00 1.57 4.57 -1.44 -1.38 114.58 118.68 1u1g h GLU 79 Ca 0.07 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 1u1g h GLU 79 Cb 0.46 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1u1g h GLU 79 CO 0.02 0.40 -0.52 0.93 -1.18 0.00 0.00 179.01 178.66 1u1g h GLU 80 N 0.57 0.00 -0.13 1.92 5.08 -1.38 -1.80 114.58 118.84 1u1g h GLU 80 Ca 0.15 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1u1g h GLU 80 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1u1g h GLU 80 CO -0.03 0.52 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.70 1u1g h LEU 81 N 0.00 0.73 -0.88 1.33 3.38 -1.22 -2.97 115.31 115.68 1u1g h LEU 81 Ca -0.01 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1u1g h LEU 81 Cb 1.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1u1g h LEU 81 CO 0.07 1.24 0.11 0.00 0.09 0.00 0.00 178.44 179.95 1u1g h ALA 82 N 0.75 1.08 -0.32 1.53 0.00 -1.03 -1.48 119.26 119.80 1u1g h ALA 82 Ca -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1u1g h ALA 82 Cb 1.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1u1g h ALA 82 CO 0.14 0.60 0.17 1.96 0.00 0.00 0.00 179.25 182.12 1u1g h GLN 83 N 0.89 0.43 -0.02 0.00 4.20 -1.34 -2.23 115.11 117.04 1u1g h GLN 83 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1u1g h GLN 83 Cb 0.37 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1u1g h GLN 83 CO 0.01 0.33 0.00 1.28 -0.67 0.00 0.00 178.83 179.77 1u1g n LEU 84 N -4.45 1.20 0.00 1.46 4.77 -0.83 -4.92 117.00 114.23 1u1g n LEU 84 Ca 0.02 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1u1g n LEU 84 Cb 0.10 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1u1g n LEU 84 CO 0.36 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1u1g n GLY 85 N 1.13 0.85 3.73 -0.72 0.00 -0.84 -4.87 105.19 104.47 1u1g n GLY 85 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1u1g n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1g s ILE 86 N -2.00 3.71 0.00 -0.61 -1.09 -0.62 -4.53 121.20 116.06 1u1g s ILE 86 Ca 0.00 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1u1g s ILE 86 Cb 0.00 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1u1g s ILE 86 CO 0.00 0.17 0.00 0.54 -1.23 0.00 0.00 174.94 174.42 1u1g n ARG 87 N 3.13 2.70 -4.68 2.79 5.12 0.11 -4.20 116.66 121.63 1u1g n ARG 87 Ca 0.07 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.73 1u1g n ARG 87 Cb 0.45 -0.77 -0.17 0.00 -1.16 0.00 0.00 32.46 30.81 1u1g n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1g s THR 88 N -1.49 1.26 -0.09 0.55 2.01 -0.84 -2.18 115.64 114.85 1u1g s THR 88 Ca 0.00 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1u1g s THR 88 Cb 0.00 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1u1g s THR 88 CO 0.00 0.38 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.76 1u1g s PHE 89 N 0.54 2.10 -0.17 4.92 0.40 0.20 -1.13 117.98 124.85 1u1g s PHE 89 Ca -0.13 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.33 1u1g s PHE 89 Cb -0.15 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 41.95 1u1g s PHE 89 CO 0.04 -0.39 -0.15 -0.51 0.70 0.00 0.00 175.22 174.90 1u1g s LEU 90 N 0.58 1.98 -0.10 -0.37 1.43 -0.46 -1.42 118.68 120.32 1u1g s LEU 90 Ca -0.15 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1u1g s LEU 90 Cb -0.17 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1u1g s LEU 90 CO 0.05 -0.05 0.22 -0.60 0.23 0.00 0.00 176.35 176.19 1u1g s ARG 91 N 1.39 3.68 -0.01 1.70 3.52 -0.59 0.03 118.95 128.68 1u1g s ARG 91 Ca 0.04 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1u1g s ARG 91 Cb -0.14 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1u1g s ARG 91 CO -0.11 0.67 -0.13 -1.50 -0.81 0.00 0.00 175.30 173.42 1u1g s ILE 92 N -0.81 1.05 0.19 4.11 2.07 -1.23 -1.87 121.20 124.71 1u1g s ILE 92 Ca 0.17 -0.57 -0.12 0.00 -1.41 0.00 0.00 60.65 58.72 1u1g s ILE 92 Cb -0.13 -0.87 0.05 0.00 0.13 0.00 0.00 42.46 41.63 1u1g s ILE 92 CO 0.06 0.30 0.62 0.61 -1.91 0.00 0.00 174.94 174.61 1u1g n GLY 93 N 2.77 1.06 3.89 1.50 0.00 -1.12 -4.16 105.19 109.12 1u1g n GLY 93 Ca -0.14 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 1u1g n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1g s THR 94 N -2.31 4.92 0.15 2.61 -4.23 -1.26 -2.07 115.64 113.45 1u1g s THR 94 Ca 0.13 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.47 1u1g s THR 94 Cb -0.03 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1u1g s THR 94 CO 0.06 -0.23 0.37 0.28 -0.54 0.00 0.00 174.62 174.56 1u1g s THR 95 N -1.91 0.07 -0.21 3.99 -1.32 -0.90 -4.87 115.64 110.49 1u1g s THR 95 Ca 0.33 -0.91 -0.03 0.00 -1.21 0.00 0.00 61.69 59.87 1u1g s THR 95 Cb -0.09 -1.46 -0.00 0.00 -1.51 0.00 0.00 72.50 69.43 1u1g s THR 95 CO 0.27 -0.31 -0.08 -0.83 -2.21 0.00 0.00 174.62 171.46 1u1g s GLY 96 N -2.87 1.56 0.39 6.08 0.00 -1.19 -2.32 107.32 108.97 1u1g s GLY 96 Ca 0.08 -1.17 -0.23 0.00 0.00 0.00 0.00 44.72 43.40 1u1g s GLY 96 CO -0.07 0.38 0.95 0.00 0.00 0.00 0.00 173.10 174.37 1u1g s ALA 97 N 1.41 3.10 -0.30 3.20 0.00 -0.24 -1.55 121.76 127.38 1u1g s ALA 97 Ca 0.05 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1u1g s ALA 97 Cb -0.14 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1u1g s ALA 97 CO -0.05 0.13 0.69 0.44 0.00 0.00 0.00 175.76 176.97 1u1g n ILE 98 N -0.17 0.22 -4.02 0.00 -5.35 -0.34 -0.88 119.36 108.83 1u1g n ILE 98 Ca 0.05 -0.61 -0.36 0.00 -0.27 0.00 0.00 62.75 61.56 1u1g n ILE 98 Cb 0.52 0.93 -0.08 0.00 -1.74 0.00 0.00 39.64 39.27 1u1g n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1g s GLN 99 N -0.39 3.54 0.51 6.28 -1.52 -1.24 -4.81 119.66 122.03 1u1g s GLN 99 Ca 0.04 -0.26 0.19 0.00 -1.95 0.00 0.00 55.36 53.38 1u1g s GLN 99 Cb 0.02 -3.12 1.30 0.00 -0.22 0.00 0.00 33.01 30.99 1u1g s GLN 99 CO 0.03 0.59 2.11 -1.35 -0.25 0.00 0.00 175.29 176.42 1u1g h PRO 100 N 5.62 0.00 0.00 2.91 0.11 -1.96 -2.83 132.00 135.85 1u1g h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1u1g h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1g h PRO 100 CO 0.62 0.07 -0.25 -2.39 -0.21 0.00 0.00 178.00 175.84 1u1g n HIS 101 N -4.26 0.76 -3.14 0.65 1.44 -1.26 -4.77 115.22 104.64 1u1g n HIS 101 Ca -0.03 0.22 -0.40 0.00 -2.01 0.00 0.00 57.72 55.51 1u1g n HIS 101 Cb 0.15 -0.82 -0.06 0.00 0.12 0.00 0.00 29.99 29.39 1u1g n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1g s ILE 102 N -3.12 5.04 0.32 0.61 1.01 -1.07 -5.07 121.20 118.92 1u1g s ILE 102 Ca 0.09 1.15 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1u1g s ILE 102 Cb 0.13 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1u1g s ILE 102 CO 0.65 0.14 0.35 0.20 0.00 0.00 0.00 174.94 176.28 1u1g s ASN 103 N 1.13 5.66 0.07 3.58 0.01 -1.26 -4.87 114.94 119.25 1u1g s ASN 103 Ca 0.28 -0.31 -0.31 0.00 -0.71 0.00 0.00 52.86 51.82 1u1g s ASN 103 Cb -0.16 -1.19 -0.08 0.00 0.41 0.00 0.00 41.25 40.23 1u1g s ASN 103 CO 0.11 -0.32 1.59 -0.69 -1.51 0.00 0.00 177.10 176.28 1u1g s VAL 104 N -2.21 3.13 0.00 1.60 1.01 -1.26 -2.45 120.40 120.22 1u1g s VAL 104 Ca 0.41 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1u1g s VAL 104 Cb -0.08 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1u1g s VAL 104 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1u1g n GLY 105 N 3.90 1.06 3.79 4.51 0.00 0.21 -5.02 105.19 113.63 1u1g n GLY 105 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1u1g n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1g s ASP 106 N -1.90 4.92 -0.09 1.61 1.01 -1.02 -4.75 116.67 116.44 1u1g s ASP 106 Ca 0.00 1.76 0.01 0.00 0.71 0.00 0.00 52.55 55.03 1u1g s ASP 106 Cb 0.00 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1u1g s ASP 106 CO 0.00 -1.76 -0.11 -0.69 0.21 0.00 0.00 175.17 172.82 1u1g s VAL 107 N -2.91 3.29 -0.08 -1.27 1.01 -0.43 -1.13 120.40 118.89 1u1g s VAL 107 Ca 0.60 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1u1g s VAL 107 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1u1g s VAL 107 CO 0.54 0.56 -0.24 -0.76 0.00 0.00 0.00 175.10 175.21 1u1g s LEU 108 N -0.32 2.13 -0.20 3.92 1.43 0.06 -1.73 118.68 123.98 1u1g s LEU 108 Ca 0.03 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1u1g s LEU 108 Cb -0.13 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1u1g s LEU 108 CO 0.03 0.21 -0.06 -0.69 0.23 0.00 0.00 176.35 176.07 1u1g s VAL 109 N 0.03 3.35 -0.25 -1.59 1.01 -0.66 -1.60 120.40 120.69 1u1g s VAL 109 Ca -0.09 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1u1g s VAL 109 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1u1g s VAL 109 CO 0.06 0.45 0.62 -0.89 0.00 0.00 0.00 175.10 175.34 1u1g s THR 110 N 1.18 4.99 -0.03 3.92 2.01 -0.97 -2.33 115.64 124.41 1u1g s THR 110 Ca 0.02 1.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 1u1g s THR 110 Cb -0.14 -3.93 -0.27 0.00 0.01 0.00 0.00 72.50 68.17 1u1g s THR 110 CO -0.01 0.04 0.98 0.71 -0.69 0.00 0.00 174.62 175.64 1u1g h THR 111 N 5.40 1.50 -3.10 -0.82 1.35 -1.53 -3.41 112.91 112.30 1u1g h THR 111 Ca -0.27 -2.29 -0.01 0.00 -0.55 0.00 0.00 66.41 63.29 1u1g h THR 111 Cb 1.12 2.94 -0.11 0.00 -1.73 0.00 0.00 68.15 70.37 1u1g h THR 111 CO 0.77 0.65 0.15 0.00 -0.25 0.00 0.00 175.52 176.83 1u1g s ALA 112 N -2.79 -1.35 0.05 6.62 0.00 -1.25 -0.78 121.76 122.26 1u1g s ALA 112 Ca -0.14 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1u1g s ALA 112 Cb 0.02 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1u1g s ALA 112 CO 0.81 -0.79 -0.23 -1.12 0.00 0.00 0.00 175.76 174.43 1u1g s SER 113 N -2.80 2.72 -0.09 0.00 0.01 -0.56 -2.37 113.70 110.62 1u1g s SER 113 Ca 0.04 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 1u1g s SER 113 Cb -0.01 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1u1g s SER 113 CO -0.09 0.18 1.19 -0.69 0.41 0.00 0.00 173.24 174.25 1u1g s VAL 114 N -0.84 4.32 -1.09 3.43 1.01 0.61 -4.37 120.40 123.47 1u1g s VAL 114 Ca 0.09 1.63 -0.18 0.00 0.00 0.00 0.00 61.98 63.51 1u1g s VAL 114 Cb -0.09 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.35 1u1g s VAL 114 CO 0.02 -0.04 1.39 -0.13 0.00 0.00 0.00 175.10 176.35 1u1g s ARG 115 N 2.52 3.78 -0.46 2.72 0.52 -1.26 -2.11 118.95 124.66 1u1g s ARG 115 Ca 0.54 -1.84 0.04 0.00 -0.52 0.00 0.00 55.73 53.95 1u1g s ARG 115 Cb -0.23 -5.18 0.58 0.00 0.52 0.00 0.00 34.95 30.65 1u1g s ARG 115 CO 0.19 -1.97 1.83 1.28 0.02 0.00 0.00 175.30 176.66 1u1g n LEU 116 N 7.26 6.42 -4.72 2.53 4.77 -0.82 -4.97 117.00 127.46 1u1g n LEU 116 Ca 0.34 -3.85 -0.31 0.00 -0.03 0.00 0.00 56.01 52.16 1u1g n LEU 116 Cb 0.48 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1u1g n LEU 116 CO 0.62 1.23 -0.26 1.51 -1.33 0.00 0.00 177.39 179.16 1u1g s ASP 117 N -1.74 4.07 -0.14 -1.43 -4.77 -1.24 -2.04 116.67 109.38 1u1g s ASP 117 Ca 0.56 -1.55 0.09 0.00 -3.30 0.00 0.00 52.55 48.36 1u1g s ASP 117 Cb 0.47 0.21 -0.15 0.00 -1.09 0.00 0.00 42.92 42.37 1u1g s ASP 117 CO 0.06 -0.73 -0.00 0.61 0.70 0.00 0.00 175.17 175.81 1u1g n GLY 118 N -1.18 -0.54 0.24 2.12 0.00 -1.26 -4.70 105.19 99.87 1u1g n GLY 118 Ca -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1u1g n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g h ALA 119 N 0.48 1.20 -0.49 4.61 0.00 -1.98 -2.89 119.26 120.19 1u1g h ALA 119 Ca -0.35 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.29 1u1g h ALA 119 Cb 1.74 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1u1g h ALA 119 CO 0.00 0.52 0.33 0.66 0.00 0.00 0.00 179.25 180.75 1u1g h SER 120 N 0.40 0.44 0.65 0.00 4.64 -1.86 -1.65 113.55 116.17 1u1g h SER 120 Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1u1g h SER 120 Cb 0.59 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1u1g h SER 120 CO 0.04 0.30 0.00 -0.07 -0.87 0.00 0.00 176.83 176.23 1u1g h LEU 121 N 0.51 0.00 0.00 5.97 3.38 -1.63 -2.16 115.31 121.38 1u1g h LEU 121 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1u1g h LEU 121 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1u1g h LEU 121 CO -0.05 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.89 1u1g n HIS 122 N -3.07 0.00 -0.01 1.13 8.25 -0.62 -3.88 115.22 117.02 1u1g n HIS 122 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1u1g n HIS 122 Cb 0.22 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1u1g n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1g n PHE 123 N -1.27 0.00 -3.70 4.41 3.01 -0.86 -5.08 117.46 113.97 1u1g n PHE 123 Ca 0.14 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.46 1u1g n PHE 123 Cb 0.23 -0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 39.50 1u1g n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1g s ALA 124 N -2.06 -1.10 0.93 4.37 0.00 -0.90 -5.02 121.76 117.98 1u1g s ALA 124 Ca -0.03 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1u1g s ALA 124 Cb 0.01 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 23.04 1u1g s ALA 124 CO 0.07 -0.27 1.12 -1.25 0.00 0.00 0.00 175.76 175.43 1u1g s PRO 125 N -0.74 0.96 0.46 0.00 0.04 -1.26 -3.97 135.00 130.49 1u1g s PRO 125 Ca -0.08 1.34 0.16 0.00 0.04 0.00 0.00 61.00 62.46 1u1g s PRO 125 Cb -0.03 -1.74 1.13 0.00 0.04 0.00 0.00 34.50 33.90 1u1g s PRO 125 CO 0.04 -2.60 2.01 1.25 0.04 0.00 0.00 177.00 177.73 1u1g h LEU 126 N -1.84 0.25 -2.28 -3.56 5.85 -1.94 -1.80 115.31 109.99 1u1g h LEU 126 Ca -0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1u1g h LEU 126 Cb 1.27 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1u1g h LEU 126 CO 0.45 0.15 -0.03 1.05 -0.34 0.00 0.00 178.44 179.73 1u1g h GLU 127 N 0.28 0.00 -6.59 1.25 9.09 -2.03 -3.43 114.58 113.15 1u1g h GLU 127 Ca 0.24 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.12 1u1g h GLU 127 Cb 0.56 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.67 1u1g h GLU 127 CO -0.05 0.03 0.57 0.12 0.05 0.00 0.00 179.01 179.72 1u1g s PHE 128 N -4.04 3.43 0.19 2.06 2.19 -0.68 -5.01 117.98 116.12 1u1g s PHE 128 Ca -0.03 1.36 -0.30 0.00 0.33 0.00 0.00 56.93 58.29 1u1g s PHE 128 Cb 0.12 -3.44 -0.08 0.00 -1.31 0.00 0.00 43.02 38.31 1u1g s PHE 128 CO 0.49 -1.29 1.08 -1.25 1.83 0.00 0.00 175.22 176.09 1u1g s PRO 129 N 0.29 4.62 -1.41 10.12 0.04 -1.26 -4.95 135.00 142.45 1u1g s PRO 129 Ca 0.55 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 1u1g s PRO 129 Cb -0.32 -3.27 0.07 0.00 0.04 0.00 0.00 34.50 31.02 1u1g s PRO 129 CO 0.34 0.13 2.22 0.00 0.04 0.00 0.00 177.00 179.73 1u1g n ALA 130 N 2.15 5.85 -2.86 8.56 0.00 -1.26 -4.77 120.51 128.18 1u1g n ALA 130 Ca 0.02 -3.99 -0.35 0.00 0.00 0.00 0.00 53.44 49.11 1u1g n ALA 130 Cb 0.46 -3.28 -0.05 0.00 0.00 0.00 0.00 19.45 16.57 1u1g n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1g s VAL 131 N 1.83 5.45 0.51 0.00 0.11 -1.26 -1.49 120.40 125.55 1u1g s VAL 131 Ca 0.48 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 59.49 1u1g s VAL 131 Cb 0.13 -3.48 -0.07 0.00 -1.53 0.00 0.00 36.38 31.44 1u1g s VAL 131 CO -0.06 0.49 0.94 0.00 -3.33 0.00 0.00 175.10 173.15 1u1g s ALA 132 N -1.16 3.14 0.30 1.54 0.00 0.04 -4.72 121.76 120.90 1u1g s ALA 132 Ca 0.21 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 1u1g s ALA 132 Cb -0.12 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 1u1g s ALA 132 CO 0.11 -0.29 1.32 0.34 0.00 0.00 0.00 175.76 177.24 1u1g s ASP 133 N -3.35 6.79 0.19 0.00 2.15 -0.33 -4.94 116.67 117.17 1u1g s ASP 133 Ca 0.56 2.63 -0.09 0.00 0.43 0.00 0.00 52.55 56.08 1u1g s ASP 133 Cb -0.10 -2.64 0.10 0.00 -0.30 0.00 0.00 42.92 39.98 1u1g s ASP 133 CO 0.36 -0.55 1.69 0.15 -0.17 0.00 0.00 175.17 176.66 1u1g h PHE 134 N 3.94 1.17 -0.36 -5.34 3.04 -1.96 -1.03 116.94 116.39 1u1g h PHE 134 Ca -0.48 -0.16 -0.13 0.00 3.98 0.00 0.00 57.97 61.19 1u1g h PHE 134 Cb 1.22 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1u1g h PHE 134 CO 0.57 0.97 -0.30 0.93 -2.02 0.00 0.00 178.31 178.47 1u1g h GLU 135 N 1.03 0.78 -0.27 1.11 5.08 -1.96 -1.30 114.58 119.06 1u1g h GLU 135 Ca 0.21 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1u1g h GLU 135 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1u1g h GLU 135 CO 0.01 0.98 -0.13 0.00 -1.00 0.00 0.00 179.01 178.86 1u1g h THR 137 N 0.30 1.20 -0.76 0.00 2.02 -1.16 -2.15 112.91 112.36 1u1g h THR 137 Ca 0.06 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1u1g h THR 137 Cb 0.65 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1u1g h THR 137 CO 0.04 0.22 0.44 0.74 0.37 0.00 0.00 175.52 177.33 1u1g h THR 138 N 0.71 1.22 -0.19 3.16 2.02 -1.23 -2.14 112.91 116.47 1u1g h THR 138 Ca 0.18 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1u1g h THR 138 Cb 0.11 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1u1g h THR 138 CO -0.02 0.24 -0.32 0.00 0.37 0.00 0.00 175.52 175.78 1u1g h ALA 139 N 1.23 1.11 -0.24 6.16 0.00 -1.26 -1.90 119.26 124.36 1u1g h ALA 139 Ca 0.27 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1u1g h ALA 139 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u1g h ALA 139 CO -0.05 0.56 -0.62 -0.07 0.00 0.00 0.00 179.25 179.08 1u1g h LEU 140 N 0.32 0.92 -0.30 0.00 3.38 -1.11 -1.87 115.31 116.66 1u1g h LEU 140 Ca 0.04 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 1u1g h LEU 140 Cb 0.73 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1u1g h LEU 140 CO 0.06 1.32 -0.23 0.58 0.09 0.00 0.00 178.44 180.26 1u1g h VAL 141 N 0.60 1.30 -0.37 1.22 2.07 -1.32 -2.32 116.25 117.43 1u1g h VAL 141 Ca -0.01 -1.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.05 1u1g h VAL 141 Cb 1.23 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1u1g h VAL 141 CO 0.13 0.44 -0.16 -0.33 0.02 0.00 0.00 177.57 177.67 1u1g h GLU 142 N 0.44 0.67 -0.18 1.57 5.08 -1.38 -2.31 114.58 118.46 1u1g h GLU 142 Ca 0.06 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1u1g h GLU 142 Cb 0.78 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1u1g h GLU 142 CO 0.06 0.80 -0.41 0.00 -1.00 0.00 0.00 179.01 178.46 1u1g h ALA 143 N 1.22 0.95 -0.34 3.43 0.00 -1.33 -1.31 119.26 121.89 1u1g h ALA 143 Ca 0.10 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1u1g h ALA 143 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1u1g h ALA 143 CO 0.04 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.70 1u1g h ALA 144 N 1.21 0.98 0.00 0.00 0.00 -1.19 -2.68 119.26 117.59 1u1g h ALA 144 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1u1g h ALA 144 Cb 0.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1u1g h ALA 144 CO 0.07 0.60 -0.55 1.57 0.00 0.00 0.00 179.25 180.95 1u1g h LYS 145 N 0.57 0.00 -0.23 0.00 5.09 -1.29 -2.01 116.57 118.70 1u1g h LYS 145 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.79 1u1g h LYS 145 Cb 0.69 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.01 1u1g h LYS 145 CO 0.05 0.55 -0.01 1.03 -2.09 0.00 0.00 179.45 178.98 1u1g h SER 146 N 0.00 0.40 0.96 7.07 0.87 -0.95 -3.14 113.55 118.75 1u1g h SER 146 Ca -0.01 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1u1g h SER 146 Cb 1.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1u1g h SER 146 CO 0.07 0.62 -0.55 0.16 -0.53 0.00 0.00 176.83 176.61 1u1g h ILE 147 N 0.17 0.00 -2.84 2.23 -0.00 -1.56 -3.50 117.51 112.01 1u1g h ILE 147 Ca 0.06 -0.50 0.00 0.00 -0.00 0.00 0.00 64.86 64.42 1u1g h ILE 147 Cb 0.42 1.14 0.00 0.00 -0.00 0.00 0.00 36.82 38.38 1u1g h ILE 147 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.77 1u1g n GLY 148 N 1.33 -2.74 3.18 0.16 0.00 -0.79 -5.11 105.19 101.22 1u1g n GLY 148 Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1u1g n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g s ALA 149 N 0.00 0.06 -0.53 4.61 0.00 -1.02 -5.02 121.76 119.87 1u1g s ALA 149 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 1u1g s ALA 149 Cb 0.00 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1u1g s ALA 149 CO 0.00 -0.48 1.08 0.99 0.00 0.00 0.00 175.76 177.34 1u1g s THR 150 N -3.90 4.22 -0.04 0.00 2.01 -1.26 -4.85 115.64 111.81 1u1g s THR 150 Ca 0.08 0.80 0.05 0.00 0.31 0.00 0.00 61.69 62.93 1u1g s THR 150 Cb 0.06 -4.61 -0.02 0.00 0.01 0.00 0.00 72.50 67.93 1u1g s THR 150 CO -0.09 -1.14 -0.20 -0.89 -0.69 0.00 0.00 174.62 171.61 1u1g s THR 151 N 4.42 2.57 -0.05 -0.82 2.01 -1.26 -1.31 115.64 121.19 1u1g s THR 151 Ca 0.40 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1u1g s THR 151 Cb -0.09 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1u1g s THR 151 CO 0.26 0.58 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.58 1u1g s HIS 152 N -0.59 1.89 -0.13 4.92 3.76 -0.71 -5.00 115.29 119.43 1u1g s HIS 152 Ca 0.09 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1u1g s HIS 152 Cb -0.11 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 1u1g s HIS 152 CO 0.00 -0.20 -0.14 0.08 -0.85 0.00 0.00 174.74 173.64 1u1g s VAL 153 N 0.06 2.96 -1.61 -0.90 1.01 -1.26 -1.65 120.40 119.01 1u1g s VAL 153 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1u1g s VAL 153 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1u1g s VAL 153 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1g n GLY 154 N 3.62 -0.72 3.86 4.51 0.00 -0.98 -4.99 105.19 110.49 1u1g n GLY 154 Ca -0.18 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1u1g n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1g s VAL 155 N -4.00 5.36 -0.04 1.61 1.01 -1.26 -1.26 120.40 121.82 1u1g s VAL 155 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.44 1u1g s VAL 155 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1u1g s VAL 155 CO 0.00 0.60 -0.21 -0.89 0.00 0.00 0.00 175.10 174.60 1u1g s THR 156 N -0.98 2.51 -0.31 3.92 2.01 -1.00 -1.14 115.64 120.65 1u1g s THR 156 Ca 0.17 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 1u1g s THR 156 Cb -0.13 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1u1g s THR 156 CO 0.07 0.58 0.58 0.00 -0.69 0.00 0.00 174.62 175.16 1u1g s ALA 157 N -0.64 3.52 -0.39 7.40 0.00 -0.31 -0.29 121.76 131.06 1u1g s ALA 157 Ca 0.10 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 1u1g s ALA 157 Cb -0.10 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.03 1u1g s ALA 157 CO -0.00 -1.08 0.20 0.45 0.00 0.00 0.00 175.76 175.33 1u1g s SER 158 N 1.68 5.50 0.03 0.00 0.15 -0.90 -2.10 113.70 118.05 1u1g s SER 158 Ca 0.23 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1u1g s SER 158 Cb -0.15 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1u1g s SER 158 CO 0.12 -0.47 0.11 -0.55 1.20 0.00 0.00 173.24 173.66 1u1g s SER 159 N 1.84 5.83 0.03 5.45 0.15 -0.35 -1.95 113.70 124.71 1u1g s SER 159 Ca 0.02 0.15 0.28 0.00 0.70 0.00 0.00 55.95 57.10 1u1g s SER 159 Cb -0.22 -1.69 1.14 0.00 -1.71 0.00 0.00 66.02 63.54 1u1g s SER 159 CO 0.02 0.23 1.88 0.47 1.20 0.00 0.00 173.24 177.03 1u1g n ASP 160 N 0.82 0.12 -4.32 5.45 9.92 -0.87 -4.40 116.55 123.27 1u1g n ASP 160 Ca -0.10 0.51 -0.17 0.00 -0.53 0.00 0.00 54.79 54.49 1u1g n ASP 160 Cb 0.52 -0.54 -0.10 0.00 -0.64 0.00 0.00 41.12 40.36 1u1g n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1g s THR 161 N -3.02 1.60 -0.01 -3.53 -4.23 -1.26 -5.03 115.64 100.17 1u1g s THR 161 Ca 0.13 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1u1g s THR 161 Cb 0.17 -1.99 -0.24 0.00 1.34 0.00 0.00 72.50 71.79 1u1g s THR 161 CO 0.52 -0.63 0.80 0.15 -0.54 0.00 0.00 174.62 174.93 1u1g h PHE 162 N 2.63 0.11 0.00 3.99 3.57 -1.97 -3.40 116.94 121.87 1u1g h PHE 162 Ca -0.38 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1u1g h PHE 162 Cb 1.21 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1u1g h PHE 162 CO 0.70 1.12 0.00 0.66 -2.23 0.00 0.00 178.31 178.56 1u1g n TYR 163 N -3.21 0.00 -0.02 0.41 4.02 -1.26 -4.33 117.16 112.77 1u1g n TYR 163 Ca -0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.71 1u1g n TYR 163 Cb 1.03 -0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.52 1u1g n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1g h PRO 164 N 0.00 0.59 0.00 -0.72 0.13 -1.89 -0.21 132.00 129.90 1u1g h PRO 164 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1u1g h PRO 164 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1u1g h PRO 164 CO 0.00 0.75 0.00 0.78 -0.23 0.00 0.00 178.00 179.30 1u1g h GLY 165 N 0.99 0.00 -1.87 1.56 0.00 -1.86 -1.84 103.07 100.04 1u1g h GLY 165 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1u1g h GLY 165 CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 1u1g n GLN 166 N -2.89 3.20 -3.85 4.80 6.02 -1.00 -4.95 117.38 118.70 1u1g n GLN 166 Ca 0.01 -2.77 -0.25 0.00 -0.01 0.00 0.00 57.00 53.98 1u1g n GLN 166 Cb 0.27 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.71 1u1g n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u1g n GLU 167 N -0.13 -3.52 -3.36 -1.09 1.02 -0.69 -4.97 120.64 107.90 1u1g n GLU 167 Ca 0.21 0.47 -0.38 0.00 -0.02 0.00 0.00 57.16 57.44 1u1g n GLU 167 Cb 0.86 -4.67 -0.06 0.00 -0.02 0.00 0.00 31.44 27.55 1u1g n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u1g s ARG 168 N -6.33 4.30 -0.01 3.49 0.52 -0.12 -4.98 118.95 115.82 1u1g s ARG 168 Ca 0.05 0.36 0.15 0.00 -0.52 0.00 0.00 55.73 55.77 1u1g s ARG 168 Cb -0.02 -3.45 -0.19 0.00 0.52 0.00 0.00 34.95 31.81 1u1g s ARG 168 CO 0.86 0.13 0.50 0.66 0.02 0.00 0.00 175.30 177.48 1u1g n TYR 169 N 3.81 0.00 -1.68 -0.53 4.02 -1.26 -4.47 117.16 117.05 1u1g n TYR 169 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.40 1u1g n TYR 169 Cb 0.51 -0.15 -0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1u1g n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1g n ASP 170 N -1.65 4.58 -3.93 7.72 2.03 -1.26 -4.25 116.55 119.80 1u1g n ASP 170 Ca 0.00 -2.81 -0.26 0.00 0.52 0.00 0.00 54.79 52.25 1u1g n ASP 170 Cb 0.30 -1.64 -0.07 0.00 -0.72 0.00 0.00 41.12 38.99 1u1g n ASP 170 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1u1g n THR 171 N 4.86 0.00 -0.12 5.18 -2.24 -1.26 -5.03 114.28 115.66 1u1g n THR 171 Ca 0.56 -2.45 -0.08 0.00 -2.27 0.00 0.00 64.05 59.81 1u1g n THR 171 Cb 0.37 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1u1g n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1g h TYR 172 N 1.70 0.50 0.06 4.78 5.03 -1.99 -3.22 116.97 123.83 1u1g h TYR 172 Ca -0.33 0.01 -0.29 0.00 2.58 0.00 0.00 58.73 60.71 1u1g h TYR 172 Cb 1.25 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.33 1u1g h TYR 172 CO 0.00 0.32 -1.50 0.66 -1.32 0.00 0.00 178.16 176.31 1u1g h SER 173 N 0.54 0.20 -0.20 -2.11 4.64 -1.97 -3.48 113.55 111.16 1u1g h SER 173 Ca 0.15 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.08 1u1g h SER 173 Cb -0.06 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1u1g h SER 173 CO -0.03 1.25 -0.08 0.61 -0.87 0.00 0.00 176.83 177.71 1u1g n GLY 174 N 1.59 0.68 3.36 -0.77 0.00 -1.22 -5.02 105.19 103.81 1u1g n GLY 174 Ca -0.14 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1u1g n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1g s ARG 175 N -1.80 1.34 -0.06 1.61 1.70 -1.26 -4.95 118.95 115.53 1u1g s ARG 175 Ca 0.00 -1.43 0.03 0.00 -0.47 0.00 0.00 55.73 53.85 1u1g s ARG 175 Cb 0.00 -1.50 0.01 0.00 -0.57 0.00 0.00 34.95 32.89 1u1g s ARG 175 CO 0.00 0.31 -0.13 0.08 -1.08 0.00 0.00 175.30 174.48 1u1g s VAL 176 N -1.88 1.19 0.54 4.99 1.01 -1.26 -4.94 120.40 120.05 1u1g s VAL 176 Ca 0.17 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1u1g s VAL 176 Cb -0.07 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1u1g s VAL 176 CO 0.08 0.36 1.09 0.55 0.00 0.00 0.00 175.10 177.18 1u1g n VAL 177 N 3.65 3.40 -0.31 2.92 3.14 -1.26 -4.64 118.33 125.23 1u1g n VAL 177 Ca -0.22 -0.50 0.17 0.00 -2.96 0.00 0.00 64.34 60.83 1u1g n VAL 177 Cb 0.52 -1.30 0.35 0.00 -1.06 0.00 0.00 33.84 32.35 1u1g n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1g h ARG 178 N 1.03 0.20 -0.63 1.45 2.43 -2.00 -1.04 114.38 115.82 1u1g h ARG 178 Ca -0.48 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.73 1u1g h ARG 178 Cb 1.34 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1u1g h ARG 178 CO 0.54 0.13 0.42 1.25 -1.51 0.00 0.00 179.97 180.80 1u1g h HIS 179 N 0.20 0.64 -0.05 2.20 2.76 -2.02 -2.69 115.15 116.19 1u1g h HIS 179 Ca 0.61 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 1u1g h HIS 179 Cb 1.31 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1u1g h HIS 179 CO -0.22 0.35 0.00 1.19 -1.30 0.00 0.00 177.93 177.95 1u1g n PHE 180 N -4.47 0.04 -2.15 5.26 3.01 -0.43 -4.80 117.46 113.91 1u1g n PHE 180 Ca 0.09 -0.02 -0.43 0.00 1.01 0.00 0.00 57.45 58.10 1u1g n PHE 180 Cb 0.21 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1u1g n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1g s LYS 181 N -1.53 4.12 0.00 -1.08 -0.14 -0.96 -2.31 119.74 117.83 1u1g s LYS 181 Ca 0.23 1.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.77 1u1g s LYS 181 Cb 0.16 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 1u1g s LYS 181 CO 0.24 -0.89 0.00 0.41 -0.76 0.00 0.00 175.35 174.34 1u1g n GLY 182 N 4.08 0.68 0.27 -3.33 0.00 -1.26 -4.95 105.19 100.68 1u1g n GLY 182 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1u1g n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1g h SER 183 N 0.00 0.86 -0.47 1.61 4.64 -1.77 -3.08 113.55 115.34 1u1g h SER 183 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1u1g h SER 183 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1u1g h SER 183 CO 0.00 1.02 0.30 -0.03 -0.87 0.00 0.00 176.83 177.25 1u1g h MET 184 N 0.75 0.63 -0.81 4.77 -1.53 -1.93 -1.39 114.93 115.42 1u1g h MET 184 Ca 0.11 -0.05 0.05 0.00 -3.44 0.00 0.00 59.70 56.38 1u1g h MET 184 Cb 0.70 -0.14 -0.05 0.00 -0.55 0.00 0.00 31.60 31.56 1u1g h MET 184 CO 0.05 0.44 0.53 1.49 0.14 0.00 0.00 176.91 179.56 1u1g h GLU 185 N 0.63 0.90 -0.08 0.39 4.81 -1.97 -0.47 114.58 118.79 1u1g h GLU 185 Ca 0.17 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1u1g h GLU 185 Cb -0.04 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1u1g h GLU 185 CO -0.03 0.59 0.00 1.49 -0.73 0.00 0.00 179.01 180.33 1u1g h GLU 186 N 0.92 0.14 -0.62 1.92 4.57 -1.32 -2.23 114.58 117.95 1u1g h GLU 186 Ca 0.34 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1u1g h GLU 186 Cb 0.16 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1u1g h GLU 186 CO -0.11 0.40 0.29 -1.49 -1.18 0.00 0.00 179.01 176.92 1u1g h TRP 187 N -0.15 0.88 -0.30 0.92 -0.00 -0.95 -2.19 115.95 114.16 1u1g h TRP 187 Ca 0.02 -0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1u1g h TRP 187 Cb 0.34 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.20 1u1g h TRP 187 CO 0.03 0.65 0.17 1.96 -0.00 0.00 0.00 178.44 181.25 1u1g h GLN 188 N 0.88 0.34 0.00 0.49 4.20 -1.02 -1.77 115.11 118.23 1u1g h GLN 188 Ca 0.22 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1u1g h GLN 188 Cb 0.10 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1u1g h GLN 188 CO -0.03 0.22 -0.22 0.00 -0.67 0.00 0.00 178.83 178.13 1u1g h ALA 189 N 1.14 1.40 -0.00 3.87 0.00 -1.11 -2.66 119.26 121.89 1u1g h ALA 189 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u1g h ALA 189 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1u1g h ALA 189 CO -0.06 0.28 -0.12 -1.33 0.00 0.00 0.00 179.25 178.02 1u1g n MET 190 N -3.93 0.69 -0.46 0.00 2.81 -0.85 -4.93 117.12 110.45 1u1g n MET 190 Ca -0.02 -0.24 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 1u1g n MET 190 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1u1g n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1g n GLY 191 N 1.28 0.77 3.75 3.03 0.00 -1.00 -5.05 105.19 107.97 1u1g n GLY 191 Ca 0.14 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1u1g n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1g s VAL 192 N -2.00 2.57 -0.04 1.61 1.01 -0.70 -4.67 120.40 118.18 1u1g s VAL 192 Ca 0.00 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1u1g s VAL 192 Cb 0.00 -3.31 -0.32 0.00 0.00 0.00 0.00 36.38 32.75 1u1g s VAL 192 CO 0.00 0.08 0.87 0.24 0.00 0.00 0.00 175.10 176.29 1u1g h MET 193 N 4.93 0.36 -2.88 2.72 0.00 -1.46 -3.42 114.93 115.18 1u1g h MET 193 Ca -0.46 -0.61 0.08 0.00 0.00 0.00 0.00 59.70 58.71 1u1g h MET 193 Cb 1.22 0.23 -0.05 0.00 0.00 0.00 0.00 31.60 33.00 1u1g h MET 193 CO 0.77 1.29 0.28 0.54 0.00 0.00 0.00 176.91 179.80 1u1g s ASN 194 N -7.15 -0.22 -0.11 1.22 4.22 -1.26 -1.19 114.94 110.45 1u1g s ASN 194 Ca -0.13 -0.63 0.01 0.00 -2.14 0.00 0.00 52.86 49.97 1u1g s ASN 194 Cb 0.02 0.70 -0.02 0.00 1.28 0.00 0.00 41.25 43.23 1u1g s ASN 194 CO 0.85 -1.30 -0.13 -0.31 -2.04 0.00 0.00 177.10 174.17 1u1g s TYR 195 N -3.63 2.79 0.00 1.54 1.51 -0.59 -1.16 117.35 117.80 1u1g s TYR 195 Ca 0.12 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1u1g s TYR 195 Cb -0.05 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1u1g s TYR 195 CO 0.07 -0.13 0.00 -0.85 -1.11 0.00 0.00 175.55 173.52 1u1g n GLU 196 N 3.28 0.00 0.00 -0.62 -0.00 -0.89 -3.15 120.64 119.25 1u1g n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1g n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1g n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1g n MET 197 N 0.00 0.64 0.00 3.44 2.81 -1.26 -1.21 117.12 121.54 1u1g n MET 197 Ca 0.00 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1u1g n MET 197 Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 1u1g n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1g n GLU 198 N -0.14 3.82 -0.24 0.03 4.71 -1.26 -3.75 120.64 123.80 1u1g n GLU 198 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1u1g n GLU 198 Cb 0.26 -0.67 0.18 0.00 -1.01 0.00 0.00 31.44 30.21 1u1g n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1g h SER 199 N 0.00 0.93 -0.59 1.62 4.64 -1.94 -2.28 113.55 115.93 1u1g h SER 199 Ca 0.00 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1u1g h SER 199 Cb 0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 1u1g h SER 199 CO 0.00 0.74 0.39 0.00 -0.87 0.00 0.00 176.83 177.09 1u1g h ALA 200 N 1.41 0.75 -0.06 5.18 0.00 -1.88 -0.90 119.26 123.76 1u1g h ALA 200 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1u1g h ALA 200 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u1g h ALA 200 CO -0.05 0.17 -0.02 1.15 0.00 0.00 0.00 179.25 180.50 1u1g h THR 201 N 0.79 1.31 0.02 0.00 2.02 -1.86 -2.73 112.91 112.46 1u1g h THR 201 Ca 0.22 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1u1g h THR 201 Cb -0.08 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1u1g h THR 201 CO -0.05 0.27 -0.01 0.25 0.37 0.00 0.00 175.52 176.35 1u1g h LEU 202 N -0.26 -0.02 -0.50 2.58 5.85 -1.32 -2.27 115.31 119.37 1u1g h LEU 202 Ca 0.01 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1u1g h LEU 202 Cb 0.44 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1u1g h LEU 202 CO 0.01 0.01 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.73 1u1g h LEU 203 N -0.05 0.93 0.06 2.25 3.38 -1.26 -2.44 115.31 118.18 1u1g h LEU 203 Ca -0.00 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1u1g h LEU 203 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1u1g h LEU 203 CO 0.00 1.16 -0.03 0.74 0.09 0.00 0.00 178.44 180.41 1u1g h THR 204 N 0.74 1.12 -0.02 0.22 2.02 -1.50 -2.02 112.91 113.47 1u1g h THR 204 Ca 0.08 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 1u1g h THR 204 Cb 0.89 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1u1g h THR 204 CO 0.08 0.16 -0.25 0.00 0.37 0.00 0.00 175.52 175.88 1u1g h MET 205 N -0.36 0.04 0.10 6.66 -0.00 -1.42 -2.10 114.93 117.85 1u1g h MET 205 Ca -0.01 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.70 59.53 1u1g h MET 205 Cb 0.32 -0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.93 1u1g h MET 205 CO 0.01 0.29 -0.66 0.00 -0.00 0.00 0.00 176.91 176.55 1u1g h ALA 207 N 0.11 1.34 -0.31 0.00 0.00 -1.27 0.19 119.26 119.32 1u1g h ALA 207 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1u1g h ALA 207 Cb 1.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1u1g h ALA 207 CO 0.12 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 1u1g n SER 208 N -3.86 2.77 -0.01 0.00 3.41 -0.80 -4.23 113.62 110.90 1u1g n SER 208 Ca -0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1u1g n SER 208 Cb 0.32 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1u1g n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1g n GLN 209 N 1.05 0.98 -2.28 4.33 6.02 -1.04 -5.03 117.38 121.41 1u1g n GLN 209 Ca 0.18 -0.85 -0.04 0.00 -0.01 0.00 0.00 57.00 56.28 1u1g n GLN 209 Cb 0.50 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 31.09 1u1g n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1g n GLY 210 N -0.17 0.40 3.40 1.08 0.00 -1.01 -5.04 105.19 103.85 1u1g n GLY 210 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1u1g n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1g s LEU 211 N -1.35 2.38 -0.08 0.99 1.43 0.02 -5.06 118.68 117.01 1u1g s LEU 211 Ca 0.03 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1u1g s LEU 211 Cb -0.01 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1u1g s LEU 211 CO 0.04 0.23 0.50 -0.13 0.23 0.00 0.00 176.35 177.22 1u1g s ARG 212 N -1.60 4.29 -0.00 1.70 0.52 -0.93 -3.93 118.95 119.00 1u1g s ARG 212 Ca 0.14 0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 55.85 1u1g s ARG 212 Cb -0.10 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 31.98 1u1g s ARG 212 CO 0.05 0.26 0.02 0.00 0.02 0.00 0.00 175.30 175.65 1u1g s ALA 213 N 0.25 -0.03 0.07 2.13 0.00 -1.26 -0.62 121.76 122.29 1u1g s ALA 213 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1u1g s ALA 213 Cb -0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1u1g s ALA 213 CO 0.12 -0.04 -0.08 0.20 0.00 0.00 0.00 175.76 175.96 1u1g s GLY 214 N -0.29 0.65 -0.05 0.00 0.00 -0.51 -1.19 107.32 105.93 1u1g s GLY 214 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1u1g s GLY 214 CO -0.00 -1.13 -0.02 -0.29 0.00 0.00 0.00 173.10 171.66 1u1g s MET 215 N -2.64 0.62 0.02 2.90 1.75 -1.26 -1.54 119.30 119.15 1u1g s MET 215 Ca 0.01 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1u1g s MET 215 Cb -0.03 -0.79 -0.01 0.00 2.84 0.00 0.00 34.83 36.83 1u1g s MET 215 CO -0.02 -0.17 -0.05 0.54 -0.65 0.00 0.00 175.02 174.67 1u1g s VAL 216 N 1.31 0.34 0.01 10.11 0.11 -0.78 -2.30 120.40 129.21 1u1g s VAL 216 Ca -0.05 -0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 58.18 1u1g s VAL 216 Cb -0.13 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1u1g s VAL 216 CO -0.02 -0.22 0.32 0.00 -3.33 0.00 0.00 175.10 171.85 1u1g s ALA 217 N -0.87 -0.77 -0.14 1.54 0.00 -0.62 -2.81 121.76 118.08 1u1g s ALA 217 Ca -0.07 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 1u1g s ALA 217 Cb -0.07 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1u1g s ALA 217 CO -0.00 -0.34 0.01 0.20 0.00 0.00 0.00 175.76 175.62 1u1g s GLY 218 N -1.70 1.82 -0.21 0.00 0.00 -0.88 -0.76 107.32 105.59 1u1g s GLY 218 Ca -0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 1u1g s GLY 218 CO 0.01 -0.20 1.16 0.14 0.00 0.00 0.00 173.10 174.21 1u1g s VAL 219 N -0.07 4.45 -0.26 1.40 1.01 -0.29 -2.11 120.40 124.53 1u1g s VAL 219 Ca 0.04 1.73 0.09 0.00 0.00 0.00 0.00 61.98 63.84 1u1g s VAL 219 Cb -0.13 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 1u1g s VAL 219 CO 0.02 -0.21 0.32 2.30 0.00 0.00 0.00 175.10 177.53 1u1g n ILE 220 N 5.46 0.00 -3.73 2.22 -5.35 -0.98 -0.62 119.36 116.35 1u1g n ILE 220 Ca 0.13 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.22 1u1g n ILE 220 Cb 0.46 0.71 -0.09 0.00 -1.74 0.00 0.00 39.64 38.98 1u1g n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1g s VAL 221 N -2.18 0.03 -0.19 7.28 0.11 -1.24 -4.33 120.40 119.87 1u1g s VAL 221 Ca 0.01 -0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1u1g s VAL 221 Cb 0.07 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1u1g s VAL 221 CO 0.38 -0.13 -0.10 0.21 -3.33 0.00 0.00 175.10 172.13 1u1g s ASN 222 N -0.67 3.91 0.47 3.54 3.84 -1.26 -1.08 114.94 123.69 1u1g s ASN 222 Ca -0.08 -0.45 0.24 0.00 0.21 0.00 0.00 52.86 52.78 1u1g s ASN 222 Cb -0.04 -1.64 1.17 0.00 -0.55 0.00 0.00 41.25 40.19 1u1g s ASN 222 CO 0.03 0.03 1.95 0.03 -2.79 0.00 0.00 177.10 176.35 1u1g h ARG 223 N 7.76 0.00 0.00 0.43 2.47 -1.14 0.12 114.38 124.01 1u1g h ARG 223 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1u1g h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1g h ARG 223 CO 0.60 0.20 -0.15 0.25 0.56 0.00 0.00 179.97 181.43 1u1g n THR 224 N -3.63 0.43 -0.05 2.04 -2.24 -1.26 -4.23 114.28 105.33 1u1g n THR 224 Ca -0.01 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.49 1u1g n THR 224 Cb 0.33 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1u1g n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1g n GLN 225 N -2.08 1.74 -3.83 -0.78 6.02 -0.77 -5.11 117.38 112.58 1u1g n GLN 225 Ca 0.05 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1u1g n GLN 225 Cb 0.41 -1.21 0.01 0.00 1.02 0.00 0.00 30.24 30.47 1u1g n GLN 225 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1u1g s GLN 226 N -2.21 1.95 0.00 -1.09 -2.07 0.33 -5.04 119.66 111.53 1u1g s GLN 226 Ca -0.08 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.25 1u1g s GLN 226 Cb 0.03 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 1u1g s GLN 226 CO 0.31 -0.91 0.00 0.39 -1.32 0.00 0.00 175.29 173.76 1u1g n GLU 227 N -0.54 2.54 -3.79 9.60 -0.58 -1.26 -4.00 120.64 122.61 1u1g n GLU 227 Ca -0.07 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.31 1u1g n GLU 227 Cb 0.60 -0.90 -0.11 0.00 -0.57 0.00 0.00 31.44 30.46 1u1g n GLU 227 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1u1g s ILE 228 N -1.79 4.87 0.45 -3.67 1.01 -1.26 -5.04 121.20 115.76 1u1g s ILE 228 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 1u1g s ILE 228 Cb 0.00 -3.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.13 1u1g s ILE 228 CO 0.00 0.36 1.07 -2.84 0.00 0.00 0.00 174.94 173.54 1u1g s PRO 229 N 1.11 3.89 -0.12 2.79 0.02 -1.26 -5.02 135.00 136.41 1u1g s PRO 229 Ca 0.06 1.52 -0.29 0.00 0.02 0.00 0.00 61.00 62.30 1u1g s PRO 229 Cb -0.14 -2.32 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 1u1g s PRO 229 CO 0.04 -0.38 1.06 1.21 -0.33 0.00 0.00 177.00 178.60 1u1g s ASN 230 N -1.69 7.18 0.38 2.53 3.84 -1.26 -4.95 114.94 120.97 1u1g s ASN 230 Ca 0.63 1.56 0.15 0.00 0.21 0.00 0.00 52.86 55.41 1u1g s ASN 230 Cb -0.21 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.69 1u1g s ASN 230 CO 0.26 -0.52 1.82 0.00 -2.79 0.00 0.00 177.10 175.87 1u1g h ALA 231 N 7.26 1.29 -0.11 1.71 0.00 -1.96 -2.24 119.26 125.22 1u1g h ALA 231 Ca -0.29 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1u1g h ALA 231 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u1g h ALA 231 CO 0.89 0.46 -0.07 1.49 0.00 0.00 0.00 179.25 182.01 1u1g h GLU 232 N 0.00 0.24 0.00 0.00 4.81 -2.01 -3.02 114.58 114.60 1u1g h GLU 232 Ca -0.00 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1u1g h GLU 232 Cb 0.70 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1u1g h GLU 232 CO 0.05 0.62 -0.44 1.79 -0.73 0.00 0.00 179.01 180.30 1u1g h THR 233 N -0.14 1.21 -0.52 0.32 1.35 -1.95 -2.95 112.91 110.23 1u1g h THR 233 Ca 0.02 -1.56 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 1u1g h THR 233 Cb 0.56 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1u1g h THR 233 CO 0.02 0.43 0.21 -0.03 -0.25 0.00 0.00 175.52 175.90 1u1g h MET 234 N 0.00 0.77 -0.54 4.72 1.85 -1.43 -1.14 114.93 119.16 1u1g h MET 234 Ca -0.00 -0.14 0.05 0.00 -0.61 0.00 0.00 59.70 58.99 1u1g h MET 234 Cb 0.83 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 32.68 1u1g h MET 234 CO 0.06 0.68 0.28 -0.22 -0.40 0.00 0.00 176.91 177.30 1u1g h LYS 235 N 0.70 0.52 -0.23 0.39 3.64 -1.38 -0.51 116.57 119.70 1u1g h LYS 235 Ca 0.17 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.33 1u1g h LYS 235 Cb 0.19 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1u1g h LYS 235 CO -0.01 0.34 -0.61 1.96 -2.27 0.00 0.00 179.45 178.86 1u1g h GLN 236 N 0.54 0.78 -0.46 1.90 1.08 -1.45 -2.82 115.11 114.68 1u1g h GLN 236 Ca 0.24 -0.53 -0.11 0.00 -1.45 0.00 0.00 58.65 56.79 1u1g h GLN 236 Cb 0.14 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1u1g h GLN 236 CO -0.16 1.16 -0.17 1.15 -0.95 0.00 0.00 178.83 179.85 1u1g h THR 237 N 0.58 1.27 -0.48 -0.54 2.02 -1.05 -1.94 112.91 112.76 1u1g h THR 237 Ca -0.00 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1u1g h THR 237 Cb 1.21 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1u1g h THR 237 CO 0.13 0.44 0.28 -0.33 0.37 0.00 0.00 175.52 176.41 1u1g h GLU 238 N 0.78 0.66 -0.18 6.66 5.08 -1.08 -0.63 114.58 125.87 1u1g h GLU 238 Ca 0.11 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1u1g h GLU 238 Cb 0.70 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1u1g h GLU 238 CO 0.05 0.50 -0.31 0.77 -1.00 0.00 0.00 179.01 179.02 1u1g h SER 239 N 0.64 0.36 -0.22 1.42 0.02 -1.43 -1.86 113.55 112.48 1u1g h SER 239 Ca 0.17 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1u1g h SER 239 Cb 0.02 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1u1g h SER 239 CO -0.03 0.66 0.04 -0.74 -1.14 0.00 0.00 176.83 175.61 1u1g h HIS 240 N 0.31 0.40 -0.23 3.45 2.76 -1.03 -2.99 115.15 117.81 1u1g h HIS 240 Ca 0.04 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1u1g h HIS 240 Cb 0.71 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1u1g h HIS 240 CO 0.02 0.51 -0.38 0.00 -1.30 0.00 0.00 177.93 176.77 1u1g h ALA 241 N 0.84 0.91 -0.70 5.26 0.00 -0.98 -3.08 119.26 121.52 1u1g h ALA 241 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1u1g h ALA 241 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1u1g h ALA 241 CO 0.00 0.63 0.16 0.28 0.00 0.00 0.00 179.25 180.33 1u1g h VAL 242 N 0.44 1.26 -0.48 0.00 2.07 -1.37 -2.47 116.25 115.69 1u1g h VAL 242 Ca 0.04 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1u1g h VAL 242 Cb 0.86 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1u1g h VAL 242 CO 0.07 0.37 0.19 0.11 0.02 0.00 0.00 177.57 178.33 1u1g h LYS 243 N 1.05 0.70 -0.14 1.57 1.57 -1.44 -2.64 116.57 117.25 1u1g h LYS 243 Ca 0.22 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1u1g h LYS 243 Cb 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1u1g h LYS 243 CO 0.00 0.58 -0.22 0.82 -0.57 0.00 0.00 179.45 180.06 1u1g h ILE 244 N 0.69 1.37 0.00 1.86 2.04 -1.43 -2.62 117.51 119.41 1u1g h ILE 244 Ca 0.17 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 1u1g h ILE 244 Cb 0.15 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1u1g h ILE 244 CO -0.02 0.43 -0.32 1.62 0.00 0.00 0.00 178.15 179.87 1u1g h VAL 245 N -0.01 1.20 -0.07 1.67 3.04 -1.35 0.14 116.25 120.87 1u1g h VAL 245 Ca 0.01 -1.09 -0.20 0.00 -1.01 0.00 0.00 66.70 64.41 1u1g h VAL 245 Cb 0.79 1.59 0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1u1g h VAL 245 CO 0.05 0.31 -0.74 0.58 -1.01 0.00 0.00 177.57 176.76 1u1g h VAL 246 N 0.00 1.33 -0.35 1.51 2.07 -1.53 -2.32 116.25 116.97 1u1g h VAL 246 Ca -0.00 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.43 1u1g h VAL 246 Cb 0.57 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1u1g h VAL 246 CO 0.04 0.62 -0.06 -0.08 0.02 0.00 0.00 177.57 178.11 1u1g h GLU 247 N 0.27 0.57 -0.15 1.57 4.57 -1.11 -2.26 114.58 118.03 1u1g h GLU 247 Ca -0.07 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 57.82 1u1g h GLU 247 Cb 1.40 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1u1g h GLU 247 CO 0.15 0.64 -0.51 0.00 -1.18 0.00 0.00 179.01 178.11 1u1g h ALA 248 N 1.40 0.84 -0.17 2.92 0.00 -1.00 -3.03 119.26 120.23 1u1g h ALA 248 Ca 0.10 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1u1g h ALA 248 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u1g h ALA 248 CO 0.02 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.74 1u1g h ALA 249 N 1.13 1.34 -0.56 0.00 0.00 -1.01 -2.84 119.26 117.31 1u1g h ALA 249 Ca 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1u1g h ALA 249 Cb 1.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1u1g h ALA 249 CO 0.09 0.45 0.16 0.00 0.00 0.00 0.00 179.25 179.95 1u1g h ARG 250 N 0.27 0.85 0.00 0.00 3.08 -1.29 -2.83 114.38 114.45 1u1g h ARG 250 Ca 0.05 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1u1g h ARG 250 Cb 0.52 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1u1g h ARG 250 CO 0.04 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 1u1g h ARG 251 N 0.82 0.00 -0.11 0.04 3.08 -1.49 -3.29 114.38 113.45 1u1g h ARG 251 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1u1g h ARG 251 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1u1g h ARG 251 CO -0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 1u1g n LEU 252 N -2.33 2.22 -0.13 3.04 4.77 -1.08 -5.08 117.00 118.41 1u1g n LEU 252 Ca 0.04 -1.27 0.15 0.00 -0.03 0.00 0.00 56.01 54.91 1u1g n LEU 252 Cb 0.36 -0.06 0.84 0.00 -2.33 0.00 0.00 43.42 42.22 1u1g n LEU 252 CO 0.26 0.47 1.05 0.18 -1.33 0.00 0.00 177.39 178.02