#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3i s HIS 5 N 0.00 3.30 -0.18 -0.32 5.65 0.26 -4.94 115.29 119.06 1u3i s HIS 5 Ca 0.00 0.41 -0.04 0.00 0.25 0.00 0.00 55.06 55.68 1u3i s HIS 5 Cb 0.00 -2.46 -0.02 0.00 -1.18 0.00 0.00 32.58 28.91 1u3i s HIS 5 CO 0.00 -0.08 -0.03 0.42 -0.65 0.00 0.00 174.74 174.40 1u3i s ILE 6 N 1.54 3.75 -0.17 0.89 1.01 -1.26 -0.60 121.20 126.36 1u3i s ILE 6 Ca 0.14 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1u3i s ILE 6 Cb -0.15 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1u3i s ILE 6 CO 0.08 0.46 -0.21 -0.75 0.00 0.00 0.00 174.94 174.52 1u3i s LYS 7 N 0.80 3.00 -0.26 2.79 2.20 -0.08 -0.05 119.74 128.15 1u3i s LYS 7 Ca -0.01 -0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 54.66 1u3i s LYS 7 Cb -0.14 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 1u3i s LYS 7 CO 0.02 -0.14 0.17 0.08 -0.36 0.00 0.00 175.35 175.12 1u3i s VAL 8 N 1.12 5.26 -0.20 4.02 1.01 0.19 -0.68 120.40 131.12 1u3i s VAL 8 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1u3i s VAL 8 Cb -0.14 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1u3i s VAL 8 CO -0.09 0.30 -0.09 -0.63 0.00 0.00 0.00 175.10 174.59 1u3i s ILE 9 N 1.40 3.00 0.35 2.22 1.01 0.12 -0.33 121.20 128.97 1u3i s ILE 9 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 1u3i s ILE 9 Cb -0.15 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.01 1u3i s ILE 9 CO 0.07 0.46 0.61 -0.47 0.00 0.00 0.00 174.94 175.61 1u3i s TYR 10 N 1.37 0.59 1.08 3.97 5.04 -0.71 -1.99 117.35 126.71 1u3i s TYR 10 Ca 0.05 -1.02 -0.16 0.00 -2.44 0.00 0.00 57.07 53.49 1u3i s TYR 10 Cb -0.14 0.33 0.23 0.00 0.35 0.00 0.00 41.96 42.73 1u3i s TYR 10 CO -0.05 -1.30 1.15 -0.06 -1.34 0.00 0.00 175.55 173.94 1u3i s PHE 11 N -2.86 1.27 -1.29 4.97 0.08 -1.26 -0.47 117.98 118.41 1u3i s PHE 11 Ca 0.23 0.59 -0.14 0.00 0.12 0.00 0.00 56.93 57.74 1u3i s PHE 11 Cb -0.02 -3.54 0.12 0.00 -0.57 0.00 0.00 43.02 39.01 1u3i s PHE 11 CO 0.15 -3.26 1.75 -3.47 -0.10 0.00 0.00 175.22 170.29 1u3i n ASP 12 N -4.33 4.91 -3.60 1.36 2.03 -1.21 -4.51 116.55 111.19 1u3i n ASP 12 Ca 0.11 -2.97 -0.04 0.00 0.52 0.00 0.00 54.79 52.41 1u3i n ASP 12 Cb 0.59 -1.61 -0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1u3i n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1u3i s GLY 13 N 2.74 -0.09 -0.02 0.27 0.00 -1.26 -4.76 107.32 104.20 1u3i s GLY 13 Ca 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 1u3i s GLY 13 CO 0.01 0.52 0.17 3.21 0.00 0.00 0.00 173.10 177.00 1u3i h ARG 14 N 2.00 -0.06 0.00 2.90 3.08 -1.86 -3.45 114.38 116.99 1u3i h ARG 14 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1u3i h ARG 14 Cb 1.23 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1u3i h ARG 14 CO 0.29 -0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.56 1u3i n GLY 15 N 1.48 2.22 0.09 0.04 0.00 0.56 -1.87 105.19 107.72 1u3i n GLY 15 Ca -0.01 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1u3i n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u3i n ARG 16 N 14.00 0.23 0.18 1.61 5.12 -1.26 -3.48 116.66 133.05 1u3i n ARG 16 Ca 0.00 0.18 0.12 0.00 -1.93 0.00 0.00 57.85 56.22 1u3i n ARG 16 Cb 0.00 -1.76 0.17 0.00 -1.16 0.00 0.00 32.46 29.72 1u3i n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u3i h ALA 17 N 2.59 0.89 -0.63 7.54 0.00 -1.74 -3.39 119.26 124.53 1u3i h ALA 17 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u3i h ALA 17 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1u3i h ALA 17 CO 0.00 0.00 0.33 1.49 0.00 0.00 0.00 179.25 181.07 1u3i h GLU 18 N 0.00 0.87 -0.53 0.00 4.57 -1.40 -0.90 114.58 117.18 1u3i h GLU 18 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1u3i h GLU 18 Cb 0.95 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 1u3i h GLU 18 CO 0.00 0.65 0.35 0.66 -1.18 0.00 0.00 179.01 179.49 1u3i h SER 19 N 0.88 0.62 -0.03 1.04 4.64 -1.83 0.75 113.55 119.61 1u3i h SER 19 Ca 0.22 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1u3i h SER 19 Cb 0.04 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1u3i h SER 19 CO -0.03 0.45 -0.14 0.40 -0.87 0.00 0.00 176.83 176.63 1u3i h ILE 20 N 0.72 1.48 -0.29 0.95 2.04 -1.46 -1.96 117.51 118.99 1u3i h ILE 20 Ca 0.19 -1.63 0.04 0.00 1.00 0.00 0.00 64.86 64.46 1u3i h ILE 20 Cb -0.07 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1u3i h ILE 20 CO -0.04 0.45 0.06 0.03 0.00 0.00 0.00 178.15 178.65 1u3i h ARG 21 N -0.43 0.16 -0.36 2.37 3.08 -0.95 -1.61 114.38 116.64 1u3i h ARG 21 Ca -0.01 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1u3i h ARG 21 Cb 0.80 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1u3i h ARG 21 CO 0.03 0.11 -0.04 0.52 -1.07 0.00 0.00 179.97 179.52 1u3i h MET 22 N 0.17 0.59 -0.12 0.04 2.86 -0.89 -0.62 114.93 116.96 1u3i h MET 22 Ca 0.13 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1u3i h MET 22 Cb 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1u3i h MET 22 CO -0.17 0.63 0.04 1.15 1.06 0.00 0.00 176.91 179.62 1u3i h THR 23 N 0.55 1.17 -0.38 2.22 2.02 -0.89 0.46 112.91 118.07 1u3i h THR 23 Ca 0.11 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1u3i h THR 23 Cb 0.41 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1u3i h THR 23 CO 0.02 0.16 0.25 -0.07 0.37 0.00 0.00 175.52 176.24 1u3i h LEU 24 N 0.01 0.43 -0.15 2.58 3.38 -1.07 -1.09 115.31 119.40 1u3i h LEU 24 Ca 0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1u3i h LEU 24 Cb 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1u3i h LEU 24 CO -0.00 0.31 -0.02 0.58 0.09 0.00 0.00 178.44 179.40 1u3i h VAL 25 N 0.51 0.87 -0.53 1.22 2.07 -0.97 -0.13 116.25 119.29 1u3i h VAL 25 Ca 0.14 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1u3i h VAL 25 Cb -0.05 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1u3i h VAL 25 CO -0.04 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.76 1u3i h ALA 26 N 1.14 1.35 0.00 1.67 0.00 -0.70 -1.78 119.26 120.95 1u3i h ALA 26 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u3i h ALA 26 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1u3i h ALA 26 CO -0.14 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.56 1u3i n ALA 27 N -2.46 2.38 -2.39 0.00 0.00 -0.43 -4.93 120.51 112.68 1u3i n ALA 27 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1u3i n ALA 27 Cb 0.17 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.17 1u3i n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3i n GLY 28 N 1.46 0.47 3.53 0.00 0.00 -0.22 -5.04 105.19 105.39 1u3i n GLY 28 Ca 0.07 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1u3i n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3i s VAL 29 N -2.63 4.60 0.36 1.61 1.01 -0.27 -5.03 120.40 120.06 1u3i s VAL 29 Ca 0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 1u3i s VAL 29 Cb -0.02 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1u3i s VAL 29 CO 0.07 0.37 1.14 -1.81 0.00 0.00 0.00 175.10 174.87 1u3i s ASP 30 N 1.17 6.77 0.11 3.32 1.01 -1.26 -4.43 116.67 123.37 1u3i s ASP 30 Ca 0.05 2.29 -0.13 0.00 0.71 0.00 0.00 52.55 55.47 1u3i s ASP 30 Cb -0.14 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.19 1u3i s ASP 30 CO 0.04 -0.50 0.32 -0.72 0.21 0.00 0.00 175.17 174.52 1u3i s TYR 31 N -1.38 -0.04 -0.18 4.23 -0.85 -1.26 -4.55 117.35 113.31 1u3i s TYR 31 Ca 0.53 -0.32 -0.13 0.00 -0.52 0.00 0.00 57.07 56.63 1u3i s TYR 31 Cb -0.30 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 1u3i s TYR 31 CO 0.38 -0.65 0.25 -2.00 -1.52 0.00 0.00 175.55 172.01 1u3i s GLU 32 N -3.83 4.22 -0.50 -3.49 2.12 0.93 -5.00 118.70 113.14 1u3i s GLU 32 Ca 0.04 -0.01 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 1u3i s GLU 32 Cb 0.03 -3.45 0.11 0.00 0.26 0.00 0.00 34.13 31.09 1u3i s GLU 32 CO -0.11 0.21 0.42 0.34 -0.54 0.00 0.00 175.26 175.57 1u3i s ASP 33 N 0.57 5.99 -0.32 -1.70 2.15 -1.26 -0.63 116.67 121.46 1u3i s ASP 33 Ca 0.14 -1.73 -0.14 0.00 0.43 0.00 0.00 52.55 51.25 1u3i s ASP 33 Cb -0.13 -2.13 -0.02 0.00 -0.30 0.00 0.00 42.92 40.34 1u3i s ASP 33 CO 0.03 -0.75 0.31 -0.70 -0.17 0.00 0.00 175.17 173.89 1u3i s GLU 34 N 1.52 3.69 -0.17 4.34 2.56 0.56 -4.98 118.70 126.21 1u3i s GLU 34 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 54.97 54.62 1u3i s GLU 34 Cb -0.27 -3.76 -0.00 0.00 2.00 0.00 0.00 34.13 32.10 1u3i s GLU 34 CO 0.02 -0.41 -0.13 1.03 -0.56 0.00 0.00 175.26 175.22 1u3i s ARG 35 N 1.92 3.26 -0.18 4.30 0.52 -1.26 -1.73 118.95 125.77 1u3i s ARG 35 Ca 0.10 -0.72 -0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1u3i s ARG 35 Cb -0.17 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 1u3i s ARG 35 CO 0.11 -0.04 0.11 0.42 0.02 0.00 0.00 175.30 175.93 1u3i s ILE 36 N 0.98 5.27 0.54 1.52 1.01 0.37 -4.83 121.20 126.07 1u3i s ILE 36 Ca -0.02 0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 1u3i s ILE 36 Cb -0.15 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1u3i s ILE 36 CO -0.02 0.47 1.09 -0.94 0.00 0.00 0.00 174.94 175.54 1u3i s SER 37 N 0.16 5.90 0.39 3.58 1.04 -1.26 -3.31 113.70 120.20 1u3i s SER 37 Ca 0.08 2.04 0.06 0.00 0.48 0.00 0.00 55.95 58.61 1u3i s SER 37 Cb -0.11 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.22 1u3i s SER 37 CO -0.01 -1.09 2.03 -0.26 0.98 0.00 0.00 173.24 174.90 1u3i h PHE 38 N 1.17 0.59 -0.03 5.02 0.04 -2.00 -2.08 116.94 119.66 1u3i h PHE 38 Ca -0.49 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 1u3i h PHE 38 Cb 1.24 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1u3i h PHE 38 CO 0.54 0.39 -0.15 1.96 -0.60 0.00 0.00 178.31 180.45 1u3i h GLN 39 N 0.64 0.05 0.00 1.51 7.50 -2.05 -2.92 115.11 119.83 1u3i h GLN 39 Ca 0.17 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.31 1u3i h GLN 39 Cb -0.04 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.48 1u3i h GLN 39 CO -0.03 0.20 -0.98 -0.44 -1.50 0.00 0.00 178.83 176.07 1u3i h ASP 40 N 0.05 0.00 -0.47 1.46 3.45 -1.77 -3.41 116.42 115.72 1u3i h ASP 40 Ca 0.01 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.54 1u3i h ASP 40 Cb 0.30 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.01 1u3i h ASP 40 CO 0.02 0.00 0.14 -0.25 -1.57 0.00 0.00 179.24 177.59 1u3i h TRP 41 N 0.00 0.25 -0.07 4.55 -0.00 -1.23 -1.68 115.95 117.77 1u3i h TRP 41 Ca -0.00 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.93 1u3i h TRP 41 Cb 1.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 30.12 1u3i h TRP 41 CO 0.00 0.07 0.05 -1.35 -0.00 0.00 0.00 178.44 177.21 1u3i h PRO 42 N 0.30 0.00 -0.06 2.65 0.11 -1.79 0.51 132.00 133.73 1u3i h PRO 42 Ca 0.23 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 1u3i h PRO 42 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1u3i h PRO 42 CO -0.25 0.00 -0.71 0.87 -0.21 0.00 0.00 178.00 177.70 1u3i h LYS 43 N 0.00 0.29 0.01 1.05 1.57 -1.62 -3.34 116.57 114.53 1u3i h LYS 43 Ca 0.03 -0.24 -0.30 0.00 -1.87 0.00 0.00 60.65 58.27 1u3i h LYS 43 Cb 0.14 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1u3i h LYS 43 CO -0.00 0.88 -1.79 -0.89 -0.57 0.00 0.00 179.45 177.08 1u3i n ILE 44 N -3.81 1.60 -0.29 1.86 5.41 -0.00 -4.42 119.36 119.69 1u3i n ILE 44 Ca -0.03 -0.79 0.12 0.00 1.00 0.00 0.00 62.75 63.04 1u3i n ILE 44 Cb 0.69 -1.02 0.26 0.00 -0.71 0.00 0.00 39.64 38.87 1u3i n ILE 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1u3i h LYS 45 N 0.00 0.18 -0.09 0.38 3.64 -0.20 0.12 116.57 120.60 1u3i h LYS 45 Ca -0.32 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1u3i h LYS 45 Cb 2.04 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1u3i h LYS 45 CO 0.07 0.12 0.21 -1.35 -2.27 0.00 0.00 179.45 176.24 1u3i h PRO 46 N 0.18 0.00 -0.01 1.90 0.11 -1.78 -2.83 132.00 129.58 1u3i h PRO 46 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1u3i h PRO 46 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1u3i h PRO 46 CO -0.67 0.00 -0.52 0.25 -0.21 0.00 0.00 178.00 176.86 1u3i n THR 47 N -3.29 0.00 -3.67 -1.15 -2.24 0.41 -4.84 114.28 99.51 1u3i n THR 47 Ca -0.00 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1u3i n THR 47 Cb 0.30 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 1u3i n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1u3i s ILE 48 N -2.68 5.36 0.00 2.28 -1.09 -1.07 -5.04 121.20 118.98 1u3i s ILE 48 Ca 0.17 0.18 -0.34 0.00 -2.23 0.00 0.00 60.65 58.44 1u3i s ILE 48 Cb 0.18 -3.50 -0.12 0.00 -1.58 0.00 0.00 42.46 37.44 1u3i s ILE 48 CO 0.64 0.35 1.80 -2.65 -1.23 0.00 0.00 174.94 173.85 1u3i n PRO 49 N 4.21 2.24 0.00 2.79 -0.02 -1.26 -0.57 135.00 142.38 1u3i n PRO 49 Ca -0.15 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1u3i n PRO 49 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1u3i n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u3i n GLY 50 N 4.11 2.98 2.35 -1.23 0.00 -1.26 -4.47 105.19 107.68 1u3i n GLY 50 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1u3i n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3i n GLY 51 N -2.00 1.16 3.13 -0.02 0.00 0.26 -5.00 105.19 102.72 1u3i n GLY 51 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1u3i n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3i s ARG 52 N -2.79 0.71 0.20 1.61 0.52 -1.26 -4.97 118.95 112.97 1u3i s ARG 52 Ca 0.00 -1.15 0.11 0.00 -0.52 0.00 0.00 55.73 54.17 1u3i s ARG 52 Cb 0.00 -0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 1u3i s ARG 52 CO 0.00 -0.01 -0.20 -0.51 0.02 0.00 0.00 175.30 174.60 1u3i s LEU 53 N -2.60 2.58 0.60 2.53 1.43 -1.26 -4.43 118.68 117.53 1u3i s LEU 53 Ca 0.05 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.21 1u3i s LEU 53 Cb 0.01 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1u3i s LEU 53 CO -0.04 0.11 1.03 -2.16 0.23 0.00 0.00 176.35 175.52 1u3i s PRO 54 N -2.78 3.55 0.05 1.29 0.04 -1.26 -5.00 135.00 130.89 1u3i s PRO 54 Ca 0.22 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1u3i s PRO 54 Cb -0.08 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1u3i s PRO 54 CO 0.12 -0.60 -0.08 0.00 0.04 0.00 0.00 177.00 176.47 1u3i s ALA 55 N -2.93 0.67 -0.13 8.56 0.00 -0.84 -4.19 121.76 122.91 1u3i s ALA 55 Ca 0.57 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1u3i s ALA 55 Cb -0.12 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1u3i s ALA 55 CO 0.46 -0.01 -0.17 0.08 0.00 0.00 0.00 175.76 176.12 1u3i s VAL 56 N -1.53 1.66 -0.23 0.00 1.01 -0.12 -0.71 120.40 120.48 1u3i s VAL 56 Ca -0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1u3i s VAL 56 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1u3i s VAL 56 CO 0.00 0.47 0.07 -0.75 0.00 0.00 0.00 175.10 174.89 1u3i s LYS 57 N 1.05 3.72 -0.16 2.72 2.20 0.15 -0.60 119.74 128.81 1u3i s LYS 57 Ca -0.04 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1u3i s LYS 57 Cb -0.15 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1u3i s LYS 57 CO -0.04 -0.09 -0.15 0.08 -0.36 0.00 0.00 175.35 174.80 1u3i s VAL 58 N 1.34 2.65 -0.17 4.02 1.01 0.75 -0.90 120.40 129.10 1u3i s VAL 58 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1u3i s VAL 58 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1u3i s VAL 58 CO 0.04 0.51 -0.16 -0.89 0.00 0.00 0.00 175.10 174.60 1u3i s THR 59 N 0.91 2.53 0.00 3.92 2.01 0.23 -0.24 115.64 125.01 1u3i s THR 59 Ca -0.03 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1u3i s THR 59 Cb -0.15 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1u3i s THR 59 CO -0.02 0.51 0.00 -0.90 -0.69 0.00 0.00 174.62 173.53 1u3i n ASP 60 N 4.33 0.00 0.00 3.53 5.68 -0.44 0.91 116.55 130.55 1u3i n ASP 60 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 1u3i n ASP 60 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1u3i n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1u3i n ASP 61 N 0.00 0.00 0.00 -1.12 3.85 -1.26 -4.72 116.55 113.30 1u3i n ASP 61 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1u3i n ASP 61 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1u3i n ASP 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u3i n HIS 62 N 0.00 0.00 0.00 2.11 1.44 -1.26 -4.85 115.22 112.66 1u3i n HIS 62 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1u3i n HIS 62 Cb 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.86 1u3i n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1u3i n GLY 63 N 2.05 0.19 0.00 -1.39 0.00 -1.26 -5.08 105.19 99.69 1u3i n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u3i n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u3i n HIS 64 N 0.00 0.00 -3.63 1.61 8.25 -1.26 -5.03 115.22 115.17 1u3i n HIS 64 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1u3i n HIS 64 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1u3i n HIS 64 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1u3i s VAL 65 N 0.00 5.31 -0.03 1.59 1.01 -1.26 -1.33 120.40 125.69 1u3i s VAL 65 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.51 1u3i s VAL 65 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1u3i s VAL 65 CO 0.00 0.48 -0.17 -0.54 0.00 0.00 0.00 175.10 174.86 1u3i s LYS 66 N -0.13 1.60 -0.09 2.72 -0.14 0.67 -4.98 119.74 119.39 1u3i s LYS 66 Ca 0.16 -0.62 -0.01 0.00 -1.36 0.00 0.00 55.97 54.15 1u3i s LYS 66 Cb -0.13 -1.46 -0.03 0.00 -1.68 0.00 0.00 37.83 34.52 1u3i s LYS 66 CO 0.05 0.31 -0.03 -1.58 -0.76 0.00 0.00 175.35 173.34 1u3i s TRP 67 N -0.19 3.06 -0.03 3.18 0.52 -1.26 -0.18 118.94 124.03 1u3i s TRP 67 Ca 0.02 0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.27 1u3i s TRP 67 Cb -0.09 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1u3i s TRP 67 CO 0.01 0.37 -0.18 -1.64 0.02 0.00 0.00 176.95 175.52 1u3i s MET 68 N -0.73 1.74 0.29 4.98 -1.94 0.23 -4.99 119.30 118.87 1u3i s MET 68 Ca 0.11 -0.65 0.07 0.00 -1.71 0.00 0.00 55.69 53.51 1u3i s MET 68 Cb -0.11 -1.56 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 1u3i s MET 68 CO 0.02 0.31 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.76 1u3i s LEU 69 N -0.16 2.52 0.00 -0.03 1.43 -1.26 -0.95 118.68 120.24 1u3i s LEU 69 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1u3i s LEU 69 Cb -0.10 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1u3i s LEU 69 CO 0.01 -0.30 0.00 1.21 0.23 0.00 0.00 176.35 177.50 1u3i n GLU 70 N -0.60 0.00 -0.06 1.70 4.07 -1.26 -4.39 120.64 120.10 1u3i n GLU 70 Ca -0.05 0.41 -0.08 0.00 -0.06 0.00 0.00 57.16 57.38 1u3i n GLU 70 Cb 0.63 -0.82 -0.01 0.00 -0.06 0.00 0.00 31.44 31.17 1u3i n GLU 70 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1u3i h SER 71 N 0.00 -0.64 1.61 4.31 4.64 -1.87 0.07 113.55 121.67 1u3i h SER 71 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1u3i h SER 71 Cb 0.00 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1u3i h SER 71 CO 0.00 -0.24 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.50 1u3i h LEU 72 N -0.19 0.00 -0.19 5.97 3.38 -1.93 -0.10 115.31 122.25 1u3i h LEU 72 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1u3i h LEU 72 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1u3i h LEU 72 CO -0.37 0.01 -0.03 0.00 0.09 0.00 0.00 178.44 178.13 1u3i h ALA 73 N 2.24 0.26 0.09 1.53 0.00 -1.54 -1.25 119.26 120.59 1u3i h ALA 73 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1u3i h ALA 73 Cb 0.88 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1u3i h ALA 73 CO 0.00 0.02 -0.15 0.82 0.00 0.00 0.00 179.25 179.94 1u3i h ILE 74 N 0.08 0.65 -0.58 0.00 2.04 -0.77 -1.67 117.51 117.27 1u3i h ILE 74 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1u3i h ILE 74 Cb 0.47 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1u3i h ILE 74 CO 0.02 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.46 1u3i h ALA 75 N 0.56 0.75 -0.69 1.87 0.00 -1.06 -1.18 119.26 119.52 1u3i h ALA 75 Ca 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1u3i h ALA 75 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1u3i h ALA 75 CO -0.08 -0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.27 1u3i h ARG 76 N 0.56 1.11 -0.25 0.00 3.08 -1.11 0.79 114.38 118.56 1u3i h ARG 76 Ca 0.26 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1u3i h ARG 76 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1u3i h ARG 76 CO -0.18 0.99 0.09 -0.92 -1.07 0.00 0.00 179.97 178.88 1u3i h TYR 77 N 1.04 0.39 -0.60 3.04 3.20 -0.85 0.73 116.97 123.93 1u3i h TYR 77 Ca 0.21 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1u3i h TYR 77 Cb 0.39 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1u3i h TYR 77 CO 0.03 0.42 0.04 0.52 -1.64 0.00 0.00 178.16 177.52 1u3i h MET 78 N 0.25 1.03 -0.65 1.82 2.86 -1.04 -1.66 114.93 117.54 1u3i h MET 78 Ca 0.08 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1u3i h MET 78 Cb 0.20 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1u3i h MET 78 CO -0.01 0.98 0.13 0.00 1.06 0.00 0.00 176.91 179.08 1u3i h ALA 79 N 1.08 0.86 -0.48 6.32 0.00 -0.67 -2.25 119.26 124.11 1u3i h ALA 79 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u3i h ALA 79 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1u3i h ALA 79 CO 0.02 0.61 0.29 -0.22 0.00 0.00 0.00 179.25 179.94 1u3i h LYS 80 N 0.98 0.66 -0.04 0.00 3.64 -0.57 0.17 116.57 121.42 1u3i h LYS 80 Ca 0.20 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1u3i h LYS 80 Cb 0.41 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1u3i h LYS 80 CO 0.01 0.49 0.03 0.87 -2.27 0.00 0.00 179.45 178.58 1u3i h LYS 81 N 0.64 0.00 -0.38 1.90 1.79 -1.05 -2.53 116.57 116.94 1u3i h LYS 81 Ca 0.17 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 1u3i h LYS 81 Cb 0.01 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1u3i h LYS 81 CO -0.03 0.00 0.04 0.72 -1.08 0.00 0.00 179.45 179.10 1u3i n HIS 82 N -4.48 1.28 -3.63 -1.35 8.25 -0.76 -4.96 115.22 109.57 1u3i n HIS 82 Ca -0.02 -1.19 -0.23 0.00 -0.26 0.00 0.00 57.72 56.01 1u3i n HIS 82 Cb 0.13 -0.45 0.07 0.00 1.12 0.00 0.00 29.99 30.86 1u3i n HIS 82 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1u3i n HIS 83 N -0.69 -2.55 -1.26 4.41 8.25 -0.60 -4.90 115.22 117.89 1u3i n HIS 83 Ca 0.29 0.97 0.08 0.00 -0.26 0.00 0.00 57.72 58.80 1u3i n HIS 83 Cb 1.04 -4.81 0.17 0.00 1.12 0.00 0.00 29.99 27.51 1u3i n HIS 83 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1u3i n MET 84 N -4.70 1.46 -0.30 -0.41 2.81 0.50 -4.60 117.12 111.89 1u3i n MET 84 Ca -0.08 -2.85 0.09 0.00 -1.81 0.00 0.00 57.70 53.05 1u3i n MET 84 Cb 0.59 -1.56 0.21 0.00 -0.71 0.00 0.00 33.22 31.75 1u3i n MET 84 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1u3i n MET 85 N -1.29 2.37 0.00 0.03 2.81 -1.25 -1.07 117.12 118.71 1u3i n MET 85 Ca 0.18 -2.69 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 1u3i n MET 85 Cb 0.68 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1u3i n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u3i n GLY 86 N -0.79 2.33 0.01 3.03 0.00 -1.26 -3.88 105.19 104.63 1u3i n GLY 86 Ca 0.19 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.57 1u3i n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u3i n GLU 87 N 1.65 0.14 -4.27 1.61 1.02 -1.26 -4.80 120.64 114.73 1u3i n GLU 87 Ca 0.00 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.96 1u3i n GLU 87 Cb 0.00 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 1u3i n GLU 87 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1u3i s THR 88 N -3.11 0.41 0.38 2.62 -4.23 -1.26 -5.02 115.64 105.44 1u3i s THR 88 Ca 0.05 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1u3i s THR 88 Cb 0.16 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.68 1u3i s THR 88 CO 0.85 -0.07 1.97 0.44 -0.54 0.00 0.00 174.62 177.26 1u3i h ASP 89 N 2.50 0.42 -0.01 3.99 3.45 -1.97 -1.26 116.42 123.55 1u3i h ASP 89 Ca -0.37 -0.05 -0.16 0.00 0.43 0.00 0.00 57.03 56.88 1u3i h ASP 89 Cb 1.24 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 1u3i h ASP 89 CO 0.59 0.42 -0.52 -0.33 -1.57 0.00 0.00 179.24 177.83 1u3i h GLU 90 N 0.46 0.58 -0.44 3.56 3.07 -1.99 -1.00 114.58 118.82 1u3i h GLU 90 Ca 0.11 -0.35 -0.09 0.00 -0.50 0.00 0.00 59.36 58.52 1u3i h GLU 90 Cb 0.16 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1u3i h GLU 90 CO -0.01 0.96 -0.10 0.93 -1.40 0.00 0.00 179.01 179.39 1u3i h GLU 91 N 0.45 0.79 -0.38 2.33 5.08 -1.81 -1.92 114.58 119.12 1u3i h GLU 91 Ca 0.01 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1u3i h GLU 91 Cb 1.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1u3i h GLU 91 CO 0.10 0.86 0.22 -0.92 -1.00 0.00 0.00 179.01 178.27 1u3i h TYR 92 N 0.71 0.51 -0.47 4.33 3.20 -0.95 0.35 116.97 124.66 1u3i h TYR 92 Ca 0.12 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1u3i h TYR 92 Cb 0.58 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 1u3i h TYR 92 CO 0.03 0.38 0.14 -0.92 -1.64 0.00 0.00 178.16 176.14 1u3i h TYR 93 N 0.49 0.23 -0.75 -3.82 3.20 -1.05 -1.04 116.97 114.23 1u3i h TYR 93 Ca 0.14 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1u3i h TYR 93 Cb 0.02 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1u3i h TYR 93 CO -0.03 0.06 0.34 0.77 -1.64 0.00 0.00 178.16 177.66 1u3i h SER 94 N 0.29 0.99 0.06 -2.11 0.02 -0.68 0.33 113.55 112.46 1u3i h SER 94 Ca 0.23 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1u3i h SER 94 Cb 0.26 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1u3i h SER 94 CO -0.26 0.85 -0.03 0.58 -1.14 0.00 0.00 176.83 176.83 1u3i h VAL 95 N 1.07 0.96 -0.21 2.27 2.07 -0.66 -2.22 116.25 119.54 1u3i h VAL 95 Ca 0.26 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 1u3i h VAL 95 Cb 0.14 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1u3i h VAL 95 CO -0.03 0.02 -0.19 -0.33 0.02 0.00 0.00 177.57 177.06 1u3i h GLU 96 N -0.13 0.36 -0.33 1.57 4.39 -0.68 -1.08 114.58 118.68 1u3i h GLU 96 Ca -0.01 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1u3i h GLU 96 Cb 0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1u3i h GLU 96 CO 0.01 0.55 0.13 -0.22 -1.16 0.00 0.00 179.01 178.32 1u3i h LYS 97 N 0.33 0.50 -0.25 2.33 3.64 -0.16 -1.05 116.57 121.91 1u3i h LYS 97 Ca 0.06 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 1u3i h LYS 97 Cb 0.53 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1u3i h LYS 97 CO 0.03 0.50 -0.41 1.25 -2.27 0.00 0.00 179.45 178.56 1u3i h LEU 98 N 0.39 0.64 -0.41 5.20 5.85 -1.11 -1.86 115.31 124.01 1u3i h LEU 98 Ca 0.11 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1u3i h LEU 98 Cb 0.19 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1u3i h LEU 98 CO -0.01 0.97 0.17 0.40 -0.34 0.00 0.00 178.44 179.63 1u3i h ILE 99 N 0.49 0.91 -0.78 4.05 2.04 -1.06 0.06 117.51 123.22 1u3i h ILE 99 Ca 0.04 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1u3i h ILE 99 Cb 0.92 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1u3i h ILE 99 CO 0.08 0.06 0.40 1.23 0.00 0.00 0.00 178.15 179.92 1u3i h GLY 100 N 0.35 1.19 0.90 5.37 0.00 -0.86 0.14 103.07 110.16 1u3i h GLY 100 Ca 0.18 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1u3i h GLY 100 CO -0.17 0.54 0.05 1.46 0.00 0.00 0.00 176.54 178.42 1u3i h GLN 101 N 1.10 0.55 -0.82 4.80 4.20 -1.10 -1.64 115.11 122.20 1u3i h GLN 101 Ca 0.27 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1u3i h GLN 101 Cb 0.08 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1u3i h GLN 101 CO -0.04 0.64 0.36 0.00 -0.67 0.00 0.00 178.83 179.12 1u3i h ALA 102 N 0.88 1.06 -0.05 3.87 0.00 -0.75 -2.30 119.26 121.97 1u3i h ALA 102 Ca 0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1u3i h ALA 102 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u3i h ALA 102 CO 0.01 0.65 -0.26 0.93 0.00 0.00 0.00 179.25 180.58 1u3i h GLU 103 N 1.17 0.08 -0.27 0.00 4.39 -0.49 -1.18 114.58 118.27 1u3i h GLU 103 Ca 0.28 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.88 1u3i h GLU 103 Cb 0.17 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1u3i h GLU 103 CO -0.03 0.34 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.57 1u3i h ASP 104 N 0.07 0.46 -0.22 1.42 3.45 -0.74 0.74 116.42 121.59 1u3i h ASP 104 Ca 0.01 -0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.27 1u3i h ASP 104 Cb 0.51 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1u3i h ASP 104 CO 0.04 0.64 -0.16 0.58 -1.57 0.00 0.00 179.24 178.76 1u3i h VAL 105 N 0.43 1.32 -0.91 -1.35 2.07 -1.00 -2.85 116.25 113.95 1u3i h VAL 105 Ca 0.08 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.42 1u3i h VAL 105 Cb 0.52 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1u3i h VAL 105 CO 0.03 0.39 0.55 -0.08 0.02 0.00 0.00 177.57 178.49 1u3i h GLU 106 N 0.19 0.87 -0.96 1.57 4.57 -0.95 -1.37 114.58 118.49 1u3i h GLU 106 Ca 0.04 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1u3i h GLU 106 Cb 0.69 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 1u3i h GLU 106 CO 0.04 0.58 0.61 1.25 -1.18 0.00 0.00 179.01 180.31 1u3i h HIS 107 N 0.90 1.12 -0.11 0.92 2.76 -0.69 0.17 115.15 120.22 1u3i h HIS 107 Ca 0.44 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.62 1u3i h HIS 107 Cb 0.41 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 1u3i h HIS 107 CO -0.03 0.55 -0.01 0.93 -1.30 0.00 0.00 177.93 178.06 1u3i h GLU 108 N 1.08 0.20 -0.76 5.26 4.39 -1.10 -3.07 114.58 120.57 1u3i h GLU 108 Ca 0.43 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.19 1u3i h GLU 108 Cb 0.24 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.78 1u3i h GLU 108 CO -0.19 0.48 0.34 -0.92 -1.16 0.00 0.00 179.01 177.56 1u3i h TYR 109 N -0.10 0.60 -0.43 4.33 3.20 -0.91 -1.98 116.97 121.68 1u3i h TYR 109 Ca 0.03 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.06 1u3i h TYR 109 Cb 0.40 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1u3i h TYR 109 CO 0.04 0.13 0.34 1.25 -1.64 0.00 0.00 178.16 178.28 1u3i h HIS 110 N 0.52 0.00 0.00 -3.82 2.76 -0.87 -1.26 115.15 112.48 1u3i h HIS 110 Ca 0.41 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 1u3i h HIS 110 Cb 0.58 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 1u3i h HIS 110 CO -0.14 0.00 -0.02 0.87 -1.30 0.00 0.00 177.93 177.34 1u3i h LYS 111 N 0.00 0.00 0.00 5.26 1.57 -1.35 -2.70 116.57 119.35 1u3i h LYS 111 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1u3i h LYS 111 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1u3i h LYS 111 CO -0.00 0.02 -0.42 0.25 -0.57 0.00 0.00 179.45 178.73 1u3i n THR 112 N -3.54 0.08 -2.74 -0.16 -2.24 -0.47 -4.88 114.28 100.32 1u3i n THR 112 Ca -0.03 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1u3i n THR 112 Cb 0.11 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1u3i n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u3i s LEU 113 N -3.26 4.35 -1.63 3.22 1.43 -1.02 -3.80 118.68 117.97 1u3i s LEU 113 Ca 0.11 1.89 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 1u3i s LEU 113 Cb 0.17 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 42.41 1u3i s LEU 113 CO 0.67 -0.10 0.39 0.23 0.23 0.00 0.00 176.35 177.77 1u3i n MET 114 N 0.60 -3.73 -4.64 1.70 2.81 -1.26 -5.01 117.12 107.58 1u3i n MET 114 Ca 0.02 0.93 -0.31 0.00 -1.81 0.00 0.00 57.70 56.53 1u3i n MET 114 Cb 0.50 -5.72 -0.12 0.00 -0.71 0.00 0.00 33.22 27.16 1u3i n MET 114 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1u3i s LYS 115 N -5.48 2.28 0.41 0.03 -0.14 -1.25 -5.10 119.74 110.49 1u3i s LYS 115 Ca 0.20 -0.86 -0.23 0.00 -1.36 0.00 0.00 55.97 53.72 1u3i s LYS 115 Cb -0.09 -2.31 -0.12 0.00 -1.68 0.00 0.00 37.83 33.63 1u3i s LYS 115 CO 0.24 0.57 0.62 -2.30 -0.76 0.00 0.00 175.35 173.72 1u3i n PRO 116 N 1.68 0.67 -1.17 -1.68 -0.02 -1.26 -4.55 135.00 128.66 1u3i n PRO 116 Ca -0.16 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 1u3i n PRO 116 Cb 0.52 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 1u3i n PRO 116 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1u3i n GLN 117 N 0.55 2.16 0.01 -0.52 -0.06 -1.26 -1.39 117.38 116.88 1u3i n GLN 117 Ca 0.11 -1.92 0.00 0.00 -2.00 0.00 0.00 57.00 53.19 1u3i n GLN 117 Cb 0.39 -2.85 0.00 0.00 -4.06 0.00 0.00 30.24 23.72 1u3i n GLN 117 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1u3i n GLU 118 N 5.68 0.00 0.04 3.69 0.00 -1.26 -4.90 120.64 123.89 1u3i n GLU 118 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.57 1u3i n GLU 118 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.76 1u3i n GLU 118 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1u3i h GLU 119 N 0.00 0.46 -0.84 5.31 4.81 -1.78 -2.69 114.58 119.85 1u3i h GLU 119 Ca 0.00 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1u3i h GLU 119 Cb 0.00 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 1u3i h GLU 119 CO 0.00 1.01 0.52 -0.22 -0.73 0.00 0.00 179.01 179.60 1u3i h LYS 120 N 0.31 0.95 -0.45 1.92 3.64 -1.47 0.20 116.57 121.67 1u3i h LYS 120 Ca -0.04 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1u3i h LYS 120 Cb 1.33 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1u3i h LYS 120 CO 0.13 0.63 -0.02 1.49 -2.27 0.00 0.00 179.45 179.41 1u3i h GLU 121 N 0.98 0.76 -0.18 1.90 4.81 -1.79 -0.61 114.58 120.44 1u3i h GLU 121 Ca 0.35 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1u3i h GLU 121 Cb 0.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1u3i h GLU 121 CO -0.15 0.78 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.57 1u3i h LYS 122 N 0.71 0.41 -0.23 1.92 3.64 -0.95 -2.37 116.57 119.69 1u3i h LYS 122 Ca 0.14 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1u3i h LYS 122 Cb 0.46 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1u3i h LYS 122 CO 0.02 0.73 0.09 0.82 -2.27 0.00 0.00 179.45 178.85 1u3i h ILE 123 N 0.08 1.16 -0.39 2.00 2.04 -0.59 -2.40 117.51 119.41 1u3i h ILE 123 Ca 0.04 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.50 1u3i h ILE 123 Cb 0.62 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1u3i h ILE 123 CO 0.03 0.16 -0.07 0.74 0.00 0.00 0.00 178.15 179.01 1u3i h THR 124 N 0.22 0.64 -0.75 -0.27 2.02 -1.14 -0.25 112.91 113.36 1u3i h THR 124 Ca 0.08 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1u3i h THR 124 Cb 0.16 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1u3i h THR 124 CO -0.01 0.00 0.46 0.50 0.37 0.00 0.00 175.52 176.85 1u3i h LYS 125 N 0.02 1.02 0.04 6.66 3.64 -1.35 -1.16 116.57 125.45 1u3i h LYS 125 Ca 0.19 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1u3i h LYS 125 Cb 0.28 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1u3i h LYS 125 CO -0.38 0.72 -0.02 1.49 -2.27 0.00 0.00 179.45 178.99 1u3i h GLU 126 N 1.03 -0.06 -0.15 1.90 4.57 -0.78 -2.01 114.58 119.08 1u3i h GLU 126 Ca 0.27 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.29 1u3i h GLU 126 Cb -0.05 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1u3i h GLU 126 CO -0.05 0.07 -0.60 -0.84 -1.18 0.00 0.00 179.01 176.40 1u3i h ILE 127 N -0.17 1.34 0.00 2.32 3.07 -0.96 -1.22 117.51 121.89 1u3i h ILE 127 Ca -0.01 -1.89 -0.05 0.00 1.55 0.00 0.00 64.86 64.47 1u3i h ILE 127 Cb 0.15 1.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.56 1u3i h ILE 127 CO 0.01 0.58 -0.22 -0.07 -1.05 0.00 0.00 178.15 177.40 1u3i h LEU 128 N 0.38 0.00 -1.37 0.16 3.38 -1.19 -1.18 115.31 115.49 1u3i h LEU 128 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u3i h LEU 128 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1u3i h LEU 128 CO 0.11 0.22 -0.25 0.59 0.09 0.00 0.00 178.44 179.20 1u3i n ASN 129 N -3.33 2.36 0.00 -0.43 3.02 -0.76 -4.36 115.26 111.76 1u3i n ASN 129 Ca 0.01 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1u3i n ASN 129 Cb 0.46 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1u3i n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u3i n GLY 130 N 1.32 0.85 0.19 7.41 0.00 -0.47 -4.91 105.19 109.58 1u3i n GLY 130 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1u3i n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3i h LYS 131 N 0.00 0.36 0.17 1.61 1.57 -1.75 -3.28 116.57 115.26 1u3i h LYS 131 Ca 0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1u3i h LYS 131 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1u3i h LYS 131 CO 0.00 0.82 -0.10 0.28 -0.57 0.00 0.00 179.45 179.89 1u3i h VAL 132 N 0.28 0.80 -0.94 0.50 2.07 -1.51 -0.38 116.25 117.05 1u3i h VAL 132 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1u3i h VAL 132 Cb 1.07 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 1u3i h VAL 132 CO 0.09 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.63 1u3i h PRO 133 N -0.25 0.81 -0.31 1.57 0.11 -1.76 0.10 132.00 132.28 1u3i h PRO 133 Ca -0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1u3i h PRO 133 Cb 0.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1u3i h PRO 133 CO 0.02 0.54 0.11 0.28 -0.21 0.00 0.00 178.00 178.74 1u3i h VAL 134 N 0.84 1.20 -0.54 3.15 2.07 -1.48 -1.40 116.25 120.07 1u3i h VAL 134 Ca 0.47 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1u3i h VAL 134 Cb 0.61 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1u3i h VAL 134 CO -0.24 0.21 0.09 -0.07 0.02 0.00 0.00 177.57 177.58 1u3i h LEU 135 N 0.35 0.82 -1.14 2.57 3.38 -0.28 -2.52 115.31 118.49 1u3i h LEU 135 Ca 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1u3i h LEU 135 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1u3i h LEU 135 CO -0.00 0.83 0.16 -0.26 0.09 0.00 0.00 178.44 179.25 1u3i h PHE 136 N 0.82 0.78 -0.74 1.13 -1.00 -0.53 0.84 116.94 118.23 1u3i h PHE 136 Ca 0.17 -0.05 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 1u3i h PHE 136 Cb 0.36 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 1u3i h PHE 136 CO 0.02 0.64 0.24 -0.97 -1.61 0.00 0.00 178.31 176.62 1u3i h ASN 137 N 0.75 1.08 -0.38 2.17 -1.24 -0.86 0.63 115.58 117.73 1u3i h ASN 137 Ca 0.17 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 1u3i h ASN 137 Cb 0.22 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1u3i h ASN 137 CO -0.01 0.99 0.03 0.24 -1.29 0.00 0.00 177.43 177.39 1u3i h MET 138 N 1.11 0.64 -0.52 6.67 2.86 -0.96 -1.46 114.93 123.27 1u3i h MET 138 Ca 0.24 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1u3i h MET 138 Cb 0.30 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1u3i h MET 138 CO -0.01 0.73 0.31 0.82 1.06 0.00 0.00 176.91 179.82 1u3i h ILE 139 N 0.47 1.04 -0.50 -1.22 2.04 -0.63 0.09 117.51 118.79 1u3i h ILE 139 Ca 0.11 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1u3i h ILE 139 Cb 0.42 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1u3i h ILE 139 CO 0.01 0.11 0.19 0.00 0.00 0.00 0.00 178.15 178.47 1u3i h GLU 141 N 0.38 1.08 -0.43 0.00 4.39 -0.67 -0.47 114.58 118.86 1u3i h GLU 141 Ca 0.24 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1u3i h GLU 141 Cb 0.23 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1u3i h GLU 141 CO -0.23 0.88 0.28 0.77 -1.16 0.00 0.00 179.01 179.55 1u3i h SER 142 N 1.04 0.47 -0.75 1.42 0.02 -0.43 -1.68 113.55 113.64 1u3i h SER 142 Ca 0.24 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1u3i h SER 142 Cb 0.19 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1u3i h SER 142 CO -0.02 0.34 0.36 -0.07 -1.14 0.00 0.00 176.83 176.30 1u3i h LEU 143 N 0.57 0.98 -1.71 5.07 3.38 -0.59 -2.66 115.31 120.35 1u3i h LEU 143 Ca 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1u3i h LEU 143 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1u3i h LEU 143 CO -0.05 0.84 -0.16 0.11 0.09 0.00 0.00 178.44 179.27 1u3i h LYS 144 N 1.06 0.00 0.00 1.13 1.57 -0.82 -1.89 116.57 117.61 1u3i h LYS 144 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1u3i h LYS 144 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1u3i h LYS 144 CO -0.03 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 1u3i n GLY 145 N -0.55 -1.50 3.75 3.86 0.00 -0.65 -4.89 105.19 105.20 1u3i n GLY 145 Ca -0.02 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1u3i n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u3i n SER 146 N -1.91 2.92 0.00 1.61 2.88 -0.71 -4.90 113.62 113.51 1u3i n SER 146 Ca 0.05 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.76 1u3i n SER 146 Cb 0.34 -1.59 0.63 0.00 -0.75 0.00 0.00 64.21 62.84 1u3i n SER 146 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1u3i n THR 147 N -0.74 0.11 -2.72 2.46 -2.24 -1.26 -4.90 114.28 105.00 1u3i n THR 147 Ca 0.08 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1u3i n THR 147 Cb 0.43 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1u3i n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u3i n GLY 148 N 1.23 5.11 0.08 3.38 0.00 -1.25 -4.87 105.19 108.87 1u3i n GLY 148 Ca 0.09 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.92 1u3i n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u3i n LYS 149 N 0.00 0.26 -1.08 1.61 5.02 -1.15 -4.75 118.16 118.07 1u3i n LYS 149 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1u3i n LYS 149 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1u3i n LYS 149 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u3i n LEU 150 N -2.13 0.00 -0.22 -0.35 4.77 -0.60 -4.82 117.00 113.66 1u3i n LEU 150 Ca 0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1u3i n LEU 150 Cb 0.43 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1u3i n LEU 150 CO 0.33 -0.24 0.97 0.00 -1.33 0.00 0.00 177.39 177.12 1u3i h ALA 151 N 0.49 1.04 -3.06 -1.18 0.00 -1.89 -3.38 119.26 111.29 1u3i h ALA 151 Ca 0.00 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 1u3i h ALA 151 Cb 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 17.79 17.13 1u3i h ALA 151 CO 0.00 0.63 -0.77 0.08 0.00 0.00 0.00 179.25 179.20 1u3i s VAL 152 N -5.29 0.43 0.00 0.00 1.01 -1.26 -4.44 120.40 110.85 1u3i s VAL 152 Ca -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1u3i s VAL 152 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1u3i s VAL 152 CO 0.83 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1u3i n GLY 153 N 5.05 0.15 0.61 4.51 0.00 -1.26 -4.14 105.19 110.11 1u3i n GLY 153 Ca -0.05 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1u3i n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u3i n ASP 154 N -1.22 2.27 -4.67 1.61 10.43 -1.26 -1.55 116.55 122.16 1u3i n ASP 154 Ca 0.00 -1.64 -0.31 0.00 2.57 0.00 0.00 54.79 55.41 1u3i n ASP 154 Cb 0.00 0.01 -0.09 0.00 1.84 0.00 0.00 41.12 42.89 1u3i n ASP 154 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1u3i s LYS 155 N -1.30 2.63 0.26 -1.24 1.02 -1.26 -4.75 119.74 115.10 1u3i s LYS 155 Ca 0.18 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 1u3i s LYS 155 Cb 0.13 -2.58 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 1u3i s LYS 155 CO 0.20 0.58 1.59 0.08 -0.92 0.00 0.00 175.35 176.88 1u3i s VAL 156 N -1.19 2.17 0.36 3.17 1.01 -1.26 -4.73 120.40 119.93 1u3i s VAL 156 Ca 0.22 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1u3i s VAL 156 Cb -0.12 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1u3i s VAL 156 CO 0.14 0.02 0.07 0.42 0.00 0.00 0.00 175.10 175.75 1u3i s THR 157 N 0.27 1.09 0.48 3.92 -4.23 -1.26 -4.60 115.64 111.30 1u3i s THR 157 Ca 0.65 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.30 1u3i s THR 157 Cb -0.47 -2.66 0.28 0.00 1.34 0.00 0.00 72.50 70.98 1u3i s THR 157 CO 0.44 0.00 2.10 0.25 -0.54 0.00 0.00 174.62 176.87 1u3i h LEU 158 N 1.97 0.17 -0.80 4.79 5.85 -1.49 -2.17 115.31 123.63 1u3i h LEU 158 Ca -0.40 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1u3i h LEU 158 Cb 1.26 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1u3i h LEU 158 CO 0.68 0.12 0.49 0.00 -0.34 0.00 0.00 178.44 179.38 1u3i h ALA 159 N 1.88 1.10 -0.92 1.25 0.00 -1.83 -1.09 119.26 119.66 1u3i h ALA 159 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1u3i h ALA 159 Cb 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1u3i h ALA 159 CO -0.02 0.20 0.60 -0.44 0.00 0.00 0.00 179.25 179.60 1u3i h ASP 160 N 0.88 0.93 0.18 0.00 3.32 -1.79 -1.44 116.42 118.50 1u3i h ASP 160 Ca 0.36 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.17 1u3i h ASP 160 Cb 0.19 -0.20 0.03 0.00 0.22 0.00 0.00 39.33 39.57 1u3i h ASP 160 CO -0.18 0.61 -1.04 -0.07 -1.72 0.00 0.00 179.24 176.84 1u3i h LEU 161 N 1.06 0.59 -0.80 1.55 3.38 -1.40 -2.21 115.31 117.49 1u3i h LEU 161 Ca 0.39 -0.94 0.04 0.00 0.09 0.00 0.00 57.88 57.45 1u3i h LEU 161 Cb 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1u3i h LEU 161 CO -0.14 1.50 0.50 0.58 0.09 0.00 0.00 178.44 180.97 1u3i h VAL 162 N -0.21 1.10 -0.00 1.22 2.07 -1.20 -2.23 116.25 117.00 1u3i h VAL 162 Ca -0.18 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1u3i h VAL 162 Cb 1.81 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1u3i h VAL 162 CO 0.19 0.18 0.00 0.25 0.02 0.00 0.00 177.57 178.21 1u3i h LEU 163 N 0.97 0.00 -1.08 2.57 5.85 -1.19 -1.78 115.31 120.64 1u3i h LEU 163 Ca 0.33 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1u3i h LEU 163 Cb 0.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1u3i h LEU 163 CO -0.13 0.11 -0.16 0.16 -0.34 0.00 0.00 178.44 178.08 1u3i h ILE 164 N -0.11 1.24 -0.63 4.05 3.07 -1.25 -1.00 117.51 122.88 1u3i h ILE 164 Ca 0.00 -1.07 -0.00 0.00 1.55 0.00 0.00 64.86 65.34 1u3i h ILE 164 Cb 0.11 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 37.85 1u3i h ILE 164 CO -0.00 0.34 0.38 0.00 -1.05 0.00 0.00 178.15 177.83 1u3i h ALA 165 N 1.41 0.80 -0.17 0.16 0.00 -1.22 -1.48 119.26 118.77 1u3i h ALA 165 Ca 0.07 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1u3i h ALA 165 Cb 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1u3i h ALA 165 CO 0.03 0.28 -0.67 -0.39 0.00 0.00 0.00 179.25 178.50 1u3i h VAL 166 N 0.86 1.31 -0.90 0.00 -1.51 -0.94 -2.79 116.25 112.29 1u3i h VAL 166 Ca 0.23 -1.93 0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1u3i h VAL 166 Cb -0.03 1.90 -0.05 0.00 -2.13 0.00 0.00 31.29 30.98 1u3i h VAL 166 CO -0.04 0.60 0.59 0.40 -1.23 0.00 0.00 177.57 177.89 1u3i h ILE 167 N 0.47 1.17 -0.49 7.19 1.08 -1.05 -0.98 117.51 124.89 1u3i h ILE 167 Ca -0.02 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1u3i h ILE 167 Cb 1.26 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1u3i h ILE 167 CO 0.13 0.21 0.30 0.44 -0.69 0.00 0.00 178.15 178.54 1u3i h ASP 168 N 1.14 0.57 -0.27 1.72 3.45 -1.12 -0.62 116.42 121.30 1u3i h ASP 168 Ca 0.35 -0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.66 1u3i h ASP 168 Cb -0.01 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1u3i h ASP 168 CO -0.10 0.43 -0.30 0.45 -1.57 0.00 0.00 179.24 178.16 1u3i h HIS 169 N 0.67 0.91 -0.51 4.55 3.86 -0.96 -1.20 115.15 122.47 1u3i h HIS 169 Ca 0.18 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1u3i h HIS 169 Cb -0.04 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1u3i h HIS 169 CO 0.00 0.98 0.32 0.28 0.86 0.00 0.00 177.93 180.38 1u3i h VAL 170 N 0.66 1.14 0.00 2.45 2.07 -0.38 -2.47 116.25 119.73 1u3i h VAL 170 Ca 0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1u3i h VAL 170 Cb 0.83 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1u3i h VAL 170 CO 0.07 0.14 0.00 0.71 0.02 0.00 0.00 177.57 178.51 1u3i h THR 171 N 0.68 0.00 -0.88 2.57 1.35 -1.02 -1.13 112.91 114.48 1u3i h THR 171 Ca 0.18 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1u3i h THR 171 Cb -0.05 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 67.86 1u3i h THR 171 CO -0.04 0.00 0.55 0.44 -0.25 0.00 0.00 175.52 176.22 1u3i h ASP 172 N 0.00 1.05 0.14 5.36 3.45 -0.76 -2.58 116.42 123.08 1u3i h ASP 172 Ca 0.00 -0.06 -0.22 0.00 0.43 0.00 0.00 57.03 57.18 1u3i h ASP 172 Cb 0.60 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1u3i h ASP 172 CO 0.00 0.80 -0.87 -0.07 -1.57 0.00 0.00 179.24 177.53 1u3i h LEU 173 N 1.21 0.69 -6.45 1.55 3.38 -0.96 -3.42 115.31 111.31 1u3i h LEU 173 Ca 0.32 -0.50 -0.21 0.00 0.09 0.00 0.00 57.88 57.57 1u3i h LEU 173 Cb -0.07 -0.21 -0.31 0.00 0.09 0.00 0.00 40.66 40.17 1u3i h LEU 173 CO -0.06 1.29 -0.54 -0.62 0.09 0.00 0.00 178.44 178.59 1u3i s ASP 174 N -7.10 0.68 0.61 -0.43 3.68 -0.68 -5.01 116.67 108.41 1u3i s ASP 174 Ca -0.08 -0.20 0.32 0.00 2.13 0.00 0.00 52.55 54.73 1u3i s ASP 174 Cb 0.09 0.92 1.87 0.00 -1.45 0.00 0.00 42.92 44.36 1u3i s ASP 174 CO 0.88 -0.34 2.21 0.11 0.13 0.00 0.00 175.17 178.16 1u3i h LYS 175 N 8.20 0.00 -0.33 4.34 1.57 -1.73 -1.71 116.57 126.91 1u3i h LYS 175 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1u3i h LYS 175 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1u3i h LYS 175 CO 0.28 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.57 1u3i n GLY 176 N -1.30 1.21 0.34 3.86 0.00 -1.26 -4.60 105.19 103.43 1u3i n GLY 176 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.41 1u3i n GLY 176 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u3i h PHE 177 N 3.55 0.80 -0.16 1.61 3.57 -1.66 -2.57 116.94 122.08 1u3i h PHE 177 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1u3i h PHE 177 Cb 0.78 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1u3i h PHE 177 CO 0.21 0.50 0.00 1.28 -2.23 0.00 0.00 178.31 178.07 1u3i n LEU 178 N -4.44 2.89 -4.67 0.59 4.32 -1.26 -4.89 117.00 109.54 1u3i n LEU 178 Ca 0.07 -1.22 -0.42 0.00 -0.02 0.00 0.00 56.01 54.41 1u3i n LEU 178 Cb 0.04 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 41.72 1u3i n LEU 178 CO 0.36 0.56 1.43 -0.89 -1.22 0.00 0.00 177.39 177.63 1u3i s THR 179 N -1.52 3.17 -0.35 -5.08 2.01 -0.97 -2.08 115.64 110.81 1u3i s THR 179 Ca 0.27 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1u3i s THR 179 Cb 0.18 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1u3i s THR 179 CO 0.26 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1u3i n GLY 180 N 4.22 0.52 3.37 4.40 0.00 -1.26 -4.96 105.19 111.48 1u3i n GLY 180 Ca 0.18 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1u3i n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u3i s LYS 181 N -1.64 1.58 -1.17 1.61 1.02 -0.88 -4.97 119.74 115.29 1u3i s LYS 181 Ca 0.00 -1.89 -0.22 0.00 0.02 0.00 0.00 55.97 53.87 1u3i s LYS 181 Cb 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 1u3i s LYS 181 CO 0.00 -0.36 0.75 0.66 -0.92 0.00 0.00 175.35 175.48 1u3i n TYR 182 N -0.60 -1.79 -0.01 3.18 4.02 -1.26 -4.82 117.16 115.87 1u3i n TYR 182 Ca -0.01 0.40 0.06 0.00 -0.01 0.00 0.00 57.90 58.34 1u3i n TYR 182 Cb 0.66 -3.34 0.44 0.00 -0.02 0.00 0.00 39.34 37.08 1u3i n TYR 182 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u3i h PRO 183 N -2.03 0.50 -0.43 -0.72 0.13 -1.93 -1.33 132.00 126.19 1u3i h PRO 183 Ca -0.67 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.39 1u3i h PRO 183 Cb 1.37 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1u3i h PRO 183 CO 0.50 0.33 0.12 0.93 -0.23 0.00 0.00 178.00 179.65 1u3i h GLU 184 N 0.52 0.64 -0.27 0.86 3.07 -1.98 0.39 114.58 117.81 1u3i h GLU 184 Ca 0.17 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 58.79 1u3i h GLU 184 Cb 0.05 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1u3i h GLU 184 CO -0.04 0.58 -0.35 0.82 -1.40 0.00 0.00 179.01 178.62 1u3i h ILE 185 N 0.63 1.31 -0.54 3.13 2.04 -1.61 -1.05 117.51 121.41 1u3i h ILE 185 Ca 0.15 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1u3i h ILE 185 Cb 0.22 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1u3i h ILE 185 CO -0.01 0.49 0.26 0.45 0.00 0.00 0.00 178.15 179.34 1u3i h HIS 186 N 0.44 0.78 -0.63 1.37 3.86 -1.18 -2.56 115.15 117.22 1u3i h HIS 186 Ca 0.03 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1u3i h HIS 186 Cb 0.93 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 1u3i h HIS 186 CO 0.08 0.61 0.20 -0.22 0.86 0.00 0.00 177.93 179.46 1u3i h LYS 187 N 0.72 0.97 -0.40 2.45 1.63 -0.86 -1.37 116.57 119.71 1u3i h LYS 187 Ca 0.18 -0.20 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1u3i h LYS 187 Cb 0.13 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 1u3i h LYS 187 CO -0.02 0.85 0.08 1.25 -3.45 0.00 0.00 179.45 178.16 1u3i h HIS 188 N 0.89 0.13 -0.47 1.91 2.76 -1.08 0.10 115.15 119.40 1u3i h HIS 188 Ca 0.20 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1u3i h HIS 188 Cb 0.28 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1u3i h HIS 188 CO 0.02 0.01 0.14 -0.09 -1.30 0.00 0.00 177.93 176.72 1u3i h ARG 189 N 0.21 0.73 -0.44 5.26 2.43 -1.04 0.99 114.38 122.53 1u3i h ARG 189 Ca 0.19 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1u3i h ARG 189 Cb 0.23 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1u3i h ARG 189 CO -0.25 0.70 0.29 1.49 -1.51 0.00 0.00 179.97 180.69 1u3i h GLU 190 N 0.63 0.58 -0.69 0.20 4.81 -0.93 -0.84 114.58 118.34 1u3i h GLU 190 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1u3i h GLU 190 Cb 0.27 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1u3i h GLU 190 CO -0.00 0.39 0.27 -0.91 -0.73 0.00 0.00 179.01 178.03 1u3i h ASN 191 N 0.60 0.95 -0.29 1.04 -0.26 -0.48 -1.31 115.58 115.83 1u3i h ASN 191 Ca 0.16 -0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1u3i h ASN 191 Cb -0.06 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 36.94 1u3i h ASN 191 CO -0.03 0.86 0.13 0.25 -1.06 0.00 0.00 177.43 177.58 1u3i h LEU 192 N 0.98 0.39 -1.12 1.61 5.85 -0.51 -1.15 115.31 121.35 1u3i h LEU 192 Ca 0.23 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1u3i h LEU 192 Cb 0.21 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1u3i h LEU 192 CO -0.02 0.41 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.40 1u3i h LEU 193 N 0.33 0.56 -1.09 2.25 3.38 -1.01 -0.49 115.31 119.25 1u3i h LEU 193 Ca 0.10 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1u3i h LEU 193 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1u3i h LEU 193 CO -0.01 0.65 -0.42 0.00 0.09 0.00 0.00 178.44 178.74 1u3i h ALA 194 N 1.42 1.24 0.00 1.53 0.00 -1.01 -3.23 119.26 119.21 1u3i h ALA 194 Ca 0.11 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1u3i h ALA 194 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u3i h ALA 194 CO 0.02 0.55 -0.75 0.77 0.00 0.00 0.00 179.25 179.83 1u3i h SER 195 N 0.06 0.00 -2.85 0.00 0.02 -0.33 -3.41 113.55 107.04 1u3i h SER 195 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.36 1u3i h SER 195 Cb 0.77 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.92 1u3i h SER 195 CO 0.06 0.44 -0.83 -0.55 -1.14 0.00 0.00 176.83 174.81 1u3i s SER 196 N -6.16 2.93 0.51 3.07 0.15 -0.28 -4.96 113.70 108.97 1u3i s SER 196 Ca 0.02 -2.66 0.19 0.00 0.70 0.00 0.00 55.95 54.19 1u3i s SER 196 Cb 0.08 -0.69 1.28 0.00 -1.71 0.00 0.00 66.02 64.98 1u3i s SER 196 CO 0.76 -0.25 2.08 1.55 1.20 0.00 0.00 173.24 178.59 1u3i h PRO 197 N 6.47 0.04 -0.23 5.44 0.13 -1.81 -0.56 132.00 141.48 1u3i h PRO 197 Ca 0.10 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1u3i h PRO 197 Cb 0.93 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1u3i h PRO 197 CO 0.39 0.03 0.12 0.00 -0.23 0.00 0.00 178.00 178.31 1u3i h ARG 198 N 0.05 0.32 -0.53 0.86 3.08 -1.92 -0.28 114.38 115.95 1u3i h ARG 198 Ca 0.11 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1u3i h ARG 198 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1u3i h ARG 198 CO -0.01 0.30 -0.01 1.25 -1.07 0.00 0.00 179.97 180.43 1u3i h LEU 199 N 0.26 0.94 -0.34 3.04 5.85 -1.58 -1.10 115.31 122.38 1u3i h LEU 199 Ca 0.08 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1u3i h LEU 199 Cb 0.08 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1u3i h LEU 199 CO -0.01 1.02 -0.04 0.00 -0.34 0.00 0.00 178.44 179.07 1u3i h ALA 200 N 0.95 0.27 -0.26 1.25 0.00 -0.95 0.24 119.26 120.76 1u3i h ALA 200 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1u3i h ALA 200 Cb 0.55 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u3i h ALA 200 CO 0.03 -0.43 0.09 -0.22 0.00 0.00 0.00 179.25 178.72 1u3i h LYS 201 N 0.05 0.40 -0.26 0.00 3.64 -0.91 -2.25 116.57 117.24 1u3i h LYS 201 Ca 0.16 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1u3i h LYS 201 Cb 0.24 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1u3i h LYS 201 CO -0.31 0.45 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.39 1u3i h TYR 202 N 0.27 -0.03 -0.55 1.91 3.20 -0.86 -2.05 116.97 118.85 1u3i h TYR 202 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1u3i h TYR 202 Cb 0.21 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1u3i h TYR 202 CO -0.00 -0.05 0.20 -0.07 -1.64 0.00 0.00 178.16 176.60 1u3i h LEU 203 N 0.07 0.74 -1.11 2.82 3.38 -0.91 -0.79 115.31 119.50 1u3i h LEU 203 Ca 0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1u3i h LEU 203 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1u3i h LEU 203 CO -0.21 0.68 -0.29 0.77 0.09 0.00 0.00 178.44 179.47 1u3i h SER 204 N 0.79 0.00 -0.01 -0.43 4.64 -1.02 -3.20 113.55 114.32 1u3i h SER 204 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1u3i h SER 204 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1u3i h SER 204 CO -0.01 0.29 -0.50 0.59 -0.87 0.00 0.00 176.83 176.33 1u3i n ASN 205 N -3.51 1.55 -4.73 4.97 4.13 -0.81 -4.99 115.26 111.86 1u3i n ASN 205 Ca -0.00 -1.27 -0.42 0.00 1.68 0.00 0.00 54.58 54.57 1u3i n ASN 205 Cb 0.45 0.61 -0.02 0.00 -1.54 0.00 0.00 39.78 39.27 1u3i n ASN 205 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1u3i s ARG 206 N -2.26 4.19 0.43 3.52 3.52 -0.35 -4.96 118.95 123.04 1u3i s ARG 206 Ca 0.13 2.45 -0.25 0.00 -0.13 0.00 0.00 55.73 57.93 1u3i s ARG 206 Cb 0.15 -3.09 -0.08 0.00 -1.56 0.00 0.00 34.95 30.36 1u3i s ARG 206 CO 0.53 -0.60 1.24 -1.25 -0.81 0.00 0.00 175.30 174.42 1u3i s PRO 207 N 0.36 3.84 0.06 5.12 0.04 -1.26 -4.96 135.00 138.20 1u3i s PRO 207 Ca 0.67 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 63.39 1u3i s PRO 207 Cb -0.45 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1u3i s PRO 207 CO 0.39 -0.54 1.21 0.00 0.04 0.00 0.00 177.00 178.09 1u3i s ALA 208 N -1.38 3.41 0.09 8.56 0.00 -1.26 -5.03 121.76 126.15 1u3i s ALA 208 Ca 0.60 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.45 1u3i s ALA 208 Cb -0.34 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1u3i s ALA 208 CO 0.42 -0.46 -0.10 0.95 0.00 0.00 0.00 175.76 176.57 1u3i s THR 209 N 1.13 0.91 -0.72 0.00 -4.23 -1.26 -5.06 115.64 106.41 1u3i s THR 209 Ca 0.59 -1.57 0.25 0.00 -1.18 0.00 0.00 61.69 59.77 1u3i s THR 209 Cb -0.30 -1.28 0.25 0.00 1.34 0.00 0.00 72.50 72.52 1u3i s THR 209 CO 0.29 -0.53 1.75 -0.81 -0.54 0.00 0.00 174.62 174.78 1u3i n PRO 210 N 0.67 0.18 0.00 3.99 -0.04 -1.26 -4.92 135.00 133.62 1u3i n PRO 210 Ca -0.17 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1u3i n PRO 210 Cb 0.57 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1u3i n PRO 210 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43