#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a9i s GLU 3 N 0.00 2.89 0.09 5.56 2.02 -1.26 -5.11 118.70 122.89 3a9i s GLU 3 Ca 0.00 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 53.81 3a9i s GLU 3 Cb 0.00 -2.62 0.08 0.00 0.10 0.00 0.00 34.13 31.69 3a9i s GLU 3 CO 0.00 0.46 0.87 1.67 0.02 0.00 0.00 175.26 178.29 3a9i s TRP 4 N -1.83 -0.27 0.09 1.61 1.48 -1.26 -4.71 118.94 114.04 3a9i s TRP 4 Ca 0.31 0.04 0.03 0.00 -1.06 0.00 0.00 56.10 55.42 3a9i s TRP 4 Cb -0.10 0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 32.77 3a9i s TRP 4 CO 0.24 -0.73 -0.08 0.15 -4.06 0.00 0.00 176.95 172.46 3a9i s LYS 5 N -3.31 0.81 -0.13 3.25 1.02 0.55 -5.00 119.74 116.93 3a9i s LYS 5 Ca 0.08 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 3a9i s LYS 5 Cb -0.01 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.90 3a9i s LYS 5 CO -0.04 0.03 0.04 0.42 -0.92 0.00 0.00 175.35 174.88 3a9i s ILE 6 N -2.89 4.66 -0.45 2.17 1.01 -1.26 -1.80 121.20 122.64 3a9i s ILE 6 Ca 0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 3a9i s ILE 6 Cb 0.00 -3.03 0.08 0.00 0.01 0.00 0.00 42.46 39.52 3a9i s ILE 6 CO -0.02 0.55 0.34 -0.63 0.00 0.00 0.00 174.94 175.18 3a9i s ILE 7 N -0.37 4.78 0.29 2.92 1.01 0.37 -2.17 121.20 128.05 3a9i s ILE 7 Ca 0.08 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 3a9i s ILE 7 Cb -0.12 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3a9i s ILE 7 CO 0.02 -0.58 1.20 -0.62 0.00 0.00 0.00 174.94 174.96 3a9i s ASP 8 N 2.47 7.04 -0.10 3.58 2.15 -0.03 -1.35 116.67 130.44 3a9i s ASP 8 Ca 0.04 2.45 0.14 0.00 0.43 0.00 0.00 52.55 55.60 3a9i s ASP 8 Cb -0.24 -2.63 0.24 0.00 -0.30 0.00 0.00 42.92 39.98 3a9i s ASP 8 CO 0.04 -0.33 1.12 -0.24 -0.17 0.00 0.00 175.17 175.60 3a9i n SER 9 N 1.14 1.62 0.27 -0.34 2.88 0.14 -0.74 113.62 118.60 3a9i n SER 9 Ca -0.00 -2.86 0.11 0.00 -1.33 0.00 0.00 58.87 54.79 3a9i n SER 9 Cb 0.43 -0.38 0.76 0.00 -0.75 0.00 0.00 64.21 64.27 3a9i n SER 9 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3a9i h THR 10 N 2.21 0.76 -0.53 2.46 2.02 -1.82 0.22 112.91 118.24 3a9i h THR 10 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3a9i h THR 10 Cb 1.15 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3a9i h THR 10 CO 0.01 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.11 3a9i n LEU 11 N -4.11 4.23 0.00 2.58 4.77 -1.26 -2.91 117.00 120.30 3a9i n LEU 11 Ca -0.03 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 3a9i n LEU 11 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3a9i n LEU 11 CO 0.31 0.78 0.00 -1.14 -1.33 0.00 0.00 177.39 176.01 3a9i n ARG 12 N 0.75 0.00 -0.30 3.23 0.00 -0.53 -1.38 116.66 118.44 3a9i n ARG 12 Ca 0.22 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.14 3a9i n ARG 12 Cb 0.79 0.00 0.22 0.00 0.00 0.00 0.00 32.46 33.47 3a9i n ARG 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3a9i h GLU 13 N 0.00 0.63 0.00 -0.14 4.57 -0.96 -1.74 114.58 116.94 3a9i h GLU 13 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3a9i h GLU 13 Cb 0.00 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3a9i h GLU 13 CO 0.00 0.41 -0.01 0.78 -1.18 0.00 0.00 179.01 179.02 3a9i h GLY 14 N 0.64 0.00 2.00 1.92 0.00 -0.74 -1.23 103.07 105.67 3a9i h GLY 14 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3a9i h GLY 14 CO -0.35 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.02 3a9i h GLU 15 N 0.00 0.00 0.00 4.80 5.08 -1.37 -2.29 114.58 120.80 3a9i h GLU 15 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a9i h GLU 15 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3a9i h GLU 15 CO 0.00 0.00 -0.03 1.04 -1.00 0.00 0.00 179.01 179.02 3a9i n GLN 16 N -2.50 0.14 -1.90 2.33 1.13 -0.46 -4.81 117.38 111.31 3a9i n GLN 16 Ca 0.03 0.11 -0.41 0.00 -1.94 0.00 0.00 57.00 54.79 3a9i n GLN 16 Cb 0.36 -1.66 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 3a9i n GLN 16 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3a9i s PHE 17 N -3.06 2.84 0.28 1.08 5.36 -0.86 -3.94 117.98 119.68 3a9i s PHE 17 Ca 0.12 1.01 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 3a9i s PHE 17 Cb 0.15 -3.94 0.63 0.00 -0.34 0.00 0.00 43.02 39.53 3a9i s PHE 17 CO 0.57 -2.99 1.74 1.49 -1.46 0.00 0.00 175.22 174.58 3a9i h GLU 18 N 4.38 0.53 -0.02 10.12 4.81 -1.90 -1.92 114.58 130.58 3a9i h GLU 18 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3a9i h GLU 18 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3a9i h GLU 18 CO 0.74 0.35 -0.15 1.63 -0.73 0.00 0.00 179.01 180.85 3a9i n LYS 19 N -4.93 1.65 -2.57 1.92 5.02 -1.26 -4.94 118.16 113.05 3a9i n LYS 19 Ca 0.20 -1.23 -0.41 0.00 -2.02 0.00 0.00 58.31 54.85 3a9i n LYS 19 Cb 0.54 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 3a9i n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a9i s ALA 20 N -2.19 3.32 -0.47 7.82 0.00 -0.72 -4.74 121.76 124.77 3a9i s ALA 20 Ca 0.28 0.73 0.06 0.00 0.00 0.00 0.00 51.96 53.03 3a9i s ALA 20 Cb 0.20 -3.36 0.20 0.00 0.00 0.00 0.00 23.12 20.16 3a9i s ALA 20 CO 0.41 -0.22 0.63 -1.71 0.00 0.00 0.00 175.76 174.86 3a9i n ASN 21 N 3.04 -2.10 -4.70 0.00 5.15 -1.26 -4.91 115.26 110.47 3a9i n ASN 21 Ca 0.04 -2.82 -0.42 0.00 -0.60 0.00 0.00 54.58 50.79 3a9i n ASN 21 Cb 0.48 0.85 -0.03 0.00 -0.53 0.00 0.00 39.78 40.54 3a9i n ASN 21 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3a9i s PHE 22 N 0.36 3.49 0.86 1.20 0.08 -1.26 -5.04 117.98 117.68 3a9i s PHE 22 Ca 0.32 1.50 -0.12 0.00 0.12 0.00 0.00 56.93 58.75 3a9i s PHE 22 Cb 0.08 -3.25 0.11 0.00 -0.57 0.00 0.00 43.02 39.38 3a9i s PHE 22 CO -0.14 -0.56 1.11 -1.54 -0.10 0.00 0.00 175.22 174.00 3a9i s SER 23 N 1.13 3.93 0.19 1.36 1.04 -1.26 -4.84 113.70 115.24 3a9i s SER 23 Ca 0.53 1.20 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 3a9i s SER 23 Cb -0.23 -1.87 0.17 0.00 0.10 0.00 0.00 66.02 64.20 3a9i s SER 23 CO 0.25 -2.31 1.76 0.74 0.98 0.00 0.00 173.24 174.66 3a9i h THR 24 N -1.33 0.87 -0.53 2.02 2.02 -1.99 -1.10 112.91 112.87 3a9i h THR 24 Ca -0.49 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 66.62 3a9i h THR 24 Cb 1.30 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3a9i h THR 24 CO 0.60 0.08 0.20 -0.61 0.37 0.00 0.00 175.52 176.15 3a9i h GLN 25 N 0.42 0.37 -0.68 6.66 4.15 -2.00 -1.39 115.11 122.65 3a9i h GLN 25 Ca 0.24 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.72 3a9i h GLN 25 Cb 0.23 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 3a9i h GLN 25 CO -0.22 0.25 0.34 -0.44 -1.93 0.00 0.00 178.83 176.83 3a9i h ASP 26 N 0.39 0.46 -0.41 -0.69 3.32 -1.72 -0.72 116.42 117.05 3a9i h ASP 26 Ca 0.26 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 3a9i h ASP 26 Cb 0.28 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3a9i h ASP 26 CO -0.26 0.28 0.05 0.11 -1.72 0.00 0.00 179.24 177.70 3a9i h LYS 27 N 0.60 0.69 -0.68 3.56 1.57 -0.72 -0.08 116.57 121.52 3a9i h LYS 27 Ca 0.32 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3a9i h LYS 27 Cb 0.30 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3a9i h LYS 27 CO -0.24 0.74 0.41 0.28 -0.57 0.00 0.00 179.45 180.07 3a9i h VAL 28 N 0.53 1.06 -0.54 0.50 2.07 -1.03 0.16 116.25 119.00 3a9i h VAL 28 Ca 0.12 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3a9i h VAL 28 Cb 0.40 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3a9i h VAL 28 CO 0.01 0.15 0.23 -0.08 0.02 0.00 0.00 177.57 177.89 3a9i h GLU 29 N 0.80 0.80 -0.20 1.57 4.81 -0.81 0.04 114.58 121.59 3a9i h GLU 29 Ca 0.28 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3a9i h GLU 29 Cb 0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3a9i h GLU 29 CO -0.12 0.69 0.06 0.82 -0.73 0.00 0.00 179.01 179.73 3a9i h ILE 30 N 0.73 1.19 -0.51 2.32 2.04 -0.63 -2.19 117.51 120.46 3a9i h ILE 30 Ca 0.18 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 3a9i h ILE 30 Cb 0.18 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3a9i h ILE 30 CO -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 178.15 178.23 3a9i h ALA 31 N 0.88 0.88 -0.47 1.87 0.00 -0.49 -0.35 119.26 121.58 3a9i h ALA 31 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3a9i h ALA 31 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3a9i h ALA 31 CO -0.00 0.64 -0.06 0.87 0.00 0.00 0.00 179.25 180.71 3a9i h LYS 32 N 0.84 0.81 -0.32 0.00 1.57 -0.95 0.06 116.57 118.57 3a9i h LYS 32 Ca 0.14 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 3a9i h LYS 32 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3a9i h LYS 32 CO 0.04 0.85 -0.28 0.00 -0.57 0.00 0.00 179.45 179.49 3a9i h ALA 33 N 1.20 0.47 -0.42 3.86 0.00 -0.98 -1.53 119.26 121.86 3a9i h ALA 33 Ca 0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3a9i h ALA 33 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3a9i h ALA 33 CO 0.03 0.48 0.08 -0.07 0.00 0.00 0.00 179.25 179.77 3a9i h LEU 34 N 0.53 0.58 -0.27 0.00 3.38 -0.83 -0.16 115.31 118.54 3a9i h LEU 34 Ca 0.06 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3a9i h LEU 34 Cb 0.85 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3a9i h LEU 34 CO 0.07 0.60 -0.14 -0.78 0.09 0.00 0.00 178.44 178.28 3a9i h ASP 35 N 0.61 0.58 -0.78 -0.43 3.58 -0.84 -1.67 116.42 117.47 3a9i h ASP 35 Ca 0.14 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 3a9i h ASP 35 Cb 0.27 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 3a9i h ASP 35 CO 0.00 0.87 0.45 -0.08 -2.88 0.00 0.00 179.24 177.60 3a9i h GLU 36 N 0.30 1.09 0.00 0.28 4.81 -1.04 -2.17 114.58 117.84 3a9i h GLU 36 Ca 0.06 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3a9i h GLU 36 Cb 0.66 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3a9i h GLU 36 CO 0.04 0.78 -0.18 0.35 -0.73 0.00 0.00 179.01 179.27 3a9i h PHE 37 N 1.10 0.00 0.00 0.92 3.57 -0.79 -3.43 116.94 118.30 3a9i h PHE 37 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3a9i h PHE 37 Cb -0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3a9i h PHE 37 CO 0.01 0.18 0.00 0.41 -2.23 0.00 0.00 178.31 176.68 3a9i n GLY 38 N -0.89 1.20 3.76 2.40 0.00 -0.76 -0.86 105.19 110.05 3a9i n GLY 38 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3a9i n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a9i s ILE 39 N -2.00 2.10 0.07 -0.61 -1.09 -0.70 -4.87 121.20 114.10 3a9i s ILE 39 Ca 0.00 0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3a9i s ILE 39 Cb 0.00 -3.06 -0.27 0.00 -1.58 0.00 0.00 42.46 37.55 3a9i s ILE 39 CO 0.00 0.02 1.11 -0.33 -1.23 0.00 0.00 174.94 174.50 3a9i h GLU 40 N 4.05 0.20 -4.44 2.79 3.07 -1.89 -3.39 114.58 114.96 3a9i h GLU 40 Ca -0.49 -0.35 -0.31 0.00 -0.50 0.00 0.00 59.36 57.72 3a9i h GLU 40 Cb 1.23 0.13 -0.25 0.00 -0.84 0.00 0.00 28.75 29.01 3a9i h GLU 40 CO 0.73 1.13 -0.75 0.71 -1.40 0.00 0.00 179.01 179.43 3a9i s TYR 41 N -2.66 0.57 -0.21 4.33 2.02 -0.92 -1.12 117.35 119.37 3a9i s TYR 41 Ca -0.04 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3a9i s TYR 41 Cb 0.08 -0.36 0.06 0.00 -0.40 0.00 0.00 41.96 41.34 3a9i s TYR 41 CO 0.86 -0.04 -0.03 0.42 -1.57 0.00 0.00 175.55 175.20 3a9i s ILE 42 N -0.67 1.16 -0.07 2.71 1.01 0.03 -0.85 121.20 124.52 3a9i s ILE 42 Ca -0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 3a9i s ILE 42 Cb -0.06 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3a9i s ILE 42 CO 0.00 -0.07 0.38 -0.70 0.00 0.00 0.00 174.94 174.55 3a9i s GLU 43 N 1.58 4.06 0.15 2.79 2.12 0.08 -0.93 118.70 128.55 3a9i s GLU 43 Ca -0.03 0.31 0.09 0.00 0.36 0.00 0.00 54.97 55.70 3a9i s GLU 43 Cb -0.17 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 3a9i s GLU 43 CO -0.07 0.47 -0.13 0.14 -0.54 0.00 0.00 175.26 175.13 3a9i s VAL 44 N -0.33 3.07 0.27 3.70 -7.23 -0.15 -3.41 120.40 116.32 3a9i s VAL 44 Ca 0.22 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 3a9i s VAL 44 Cb -0.15 -2.48 -0.14 0.00 0.56 0.00 0.00 36.38 34.17 3a9i s VAL 44 CO 0.10 -0.02 1.13 0.41 -0.31 0.00 0.00 175.10 176.41 3a9i n THR 45 N 0.35 1.65 -1.59 5.32 -1.04 -0.48 -4.32 114.28 114.18 3a9i n THR 45 Ca -0.13 -0.41 -0.52 0.00 -2.04 0.00 0.00 64.05 60.95 3a9i n THR 45 Cb 0.54 -1.12 -0.06 0.00 -1.82 0.00 0.00 70.33 67.87 3a9i n THR 45 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3a9i n THR 46 N 0.71 0.04 0.28 12.58 5.66 -1.26 -4.83 114.28 127.47 3a9i n THR 46 Ca 0.10 -0.01 0.15 0.00 -3.05 0.00 0.00 64.05 61.24 3a9i n THR 46 Cb 0.31 -0.79 0.72 0.00 -1.55 0.00 0.00 70.33 69.03 3a9i n THR 46 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3a9i h PRO 47 N 4.44 0.00 0.00 1.09 0.13 -1.81 -1.72 132.00 134.12 3a9i h PRO 47 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3a9i h PRO 47 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3a9i h PRO 47 CO 0.77 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.09 3a9i n VAL 48 N -2.58 0.02 -0.20 1.56 3.14 -1.26 -3.26 118.33 115.75 3a9i n VAL 48 Ca -0.01 0.01 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 3a9i n VAL 48 Cb 0.14 -0.51 0.02 0.00 -1.06 0.00 0.00 33.84 32.43 3a9i n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a9i h ALA 49 N 3.24 0.73 -2.31 1.55 0.00 -1.66 -3.47 119.26 117.34 3a9i h ALA 49 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.87 3a9i h ALA 49 Cb 0.37 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 3a9i h ALA 49 CO 0.00 0.35 0.49 -1.54 0.00 0.00 0.00 179.25 178.54 3a9i s SER 50 N -6.06 -0.33 0.27 0.00 1.04 -1.25 -5.00 113.70 102.37 3a9i s SER 50 Ca -0.13 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3a9i s SER 50 Cb 0.12 0.41 0.54 0.00 0.10 0.00 0.00 66.02 67.19 3a9i s SER 50 CO 0.79 -0.69 1.80 -0.65 0.98 0.00 0.00 173.24 175.48 3a9i h PRO 51 N 2.00 0.81 -0.33 4.02 0.11 -1.91 -1.48 132.00 135.23 3a9i h PRO 51 Ca -0.23 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.67 3a9i h PRO 51 Cb 1.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3a9i h PRO 51 CO 0.30 0.54 -0.42 0.37 -0.21 0.00 0.00 178.00 178.57 3a9i h GLN 52 N 0.83 0.82 -0.78 1.05 5.75 -1.96 -0.76 115.11 120.07 3a9i h GLN 52 Ca 0.48 -0.44 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3a9i h GLN 52 Cb 0.55 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 3a9i h GLN 52 CO -0.30 1.08 0.48 0.77 -2.65 0.00 0.00 178.83 178.21 3a9i h SER 53 N 0.66 0.77 0.09 -0.69 0.02 -1.69 0.71 113.55 113.42 3a9i h SER 53 Ca 0.05 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3a9i h SER 53 Cb 0.99 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3a9i h SER 53 CO 0.10 0.51 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.16 3a9i h ARG 54 N 0.90 -0.11 -0.60 3.45 2.43 -1.02 -0.89 114.38 118.54 3a9i h ARG 54 Ca 0.33 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 3a9i h ARG 54 Cb 0.11 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 3a9i h ARG 54 CO -0.15 0.19 0.25 -0.22 -1.51 0.00 0.00 179.97 178.53 3a9i h LYS 55 N -0.43 0.44 -0.50 0.20 3.11 -0.91 -1.43 116.57 117.05 3a9i h LYS 55 Ca -0.01 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 3a9i h LYS 55 Cb 0.36 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 3a9i h LYS 55 CO 0.02 0.29 0.02 -0.44 -2.81 0.00 0.00 179.45 176.53 3a9i h ASP 56 N 0.45 0.84 -0.56 4.20 3.32 -0.79 -1.51 116.42 122.38 3a9i h ASP 56 Ca 0.29 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3a9i h ASP 56 Cb 0.32 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3a9i h ASP 56 CO -0.27 0.93 0.30 0.00 -1.72 0.00 0.00 179.24 178.49 3a9i h ALA 57 N 0.94 0.72 -0.28 3.45 0.00 -0.83 -0.83 119.26 122.44 3a9i h ALA 57 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a9i h ALA 57 Cb 0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3a9i h ALA 57 CO 0.02 -0.02 0.15 0.93 0.00 0.00 0.00 179.25 180.33 3a9i h GLU 58 N 0.59 0.30 0.03 0.00 5.08 -0.95 0.11 114.58 119.73 3a9i h GLU 58 Ca 0.24 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3a9i h GLU 58 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3a9i h GLU 58 CO -0.15 0.20 -0.01 0.28 -1.00 0.00 0.00 179.01 178.33 3a9i h VAL 59 N 0.31 0.97 -0.50 3.13 2.07 -1.04 -2.81 116.25 118.38 3a9i h VAL 59 Ca 0.11 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 3a9i h VAL 59 Cb 0.02 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3a9i h VAL 59 CO -0.07 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.38 3a9i h LEU 60 N -0.04 0.92 -2.01 2.57 3.38 -0.99 -2.63 115.31 116.51 3a9i h LEU 60 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3a9i h LEU 60 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3a9i h LEU 60 CO 0.01 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.58 3a9i h ALA 61 N 0.91 1.00 -0.18 1.53 0.00 -0.97 -2.97 119.26 118.57 3a9i h ALA 61 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a9i h ALA 61 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3a9i h ALA 61 CO 0.04 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 3a9i n SER 62 N -2.97 3.29 0.05 0.00 3.41 -1.01 -4.58 113.62 111.81 3a9i n SER 62 Ca -0.01 -2.92 0.11 0.00 -0.26 0.00 0.00 58.87 55.80 3a9i n SER 62 Cb 0.19 -0.46 0.46 0.00 -0.26 0.00 0.00 64.21 64.14 3a9i n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a9i n LEU 63 N -0.70 0.30 -1.22 1.04 4.77 -1.07 -4.93 117.00 115.20 3a9i n LEU 63 Ca 0.18 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.61 3a9i n LEU 63 Cb 0.76 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3a9i n LEU 63 CO 0.10 -0.22 -0.11 0.61 -1.33 0.00 0.00 177.39 176.44 3a9i n GLY 64 N 0.74 -0.03 3.76 -0.72 0.00 -1.26 -5.01 105.19 102.66 3a9i n GLY 64 Ca 0.05 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3a9i n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a9i s LEU 65 N -3.00 3.46 0.05 0.99 1.43 -1.26 -4.97 118.68 115.38 3a9i s LEU 65 Ca 0.02 2.14 -0.20 0.00 -1.03 0.00 0.00 54.13 55.06 3a9i s LEU 65 Cb -0.01 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.52 3a9i s LEU 65 CO 0.03 -1.69 1.40 0.11 0.23 0.00 0.00 176.35 176.43 3a9i h LYS 66 N 0.24 0.37 -6.78 1.70 1.57 -1.95 -3.45 116.57 108.28 3a9i h LYS 66 Ca -0.48 -0.17 -0.57 0.00 -1.87 0.00 0.00 60.65 57.56 3a9i h LYS 66 Cb 1.26 -0.01 0.14 0.00 0.08 0.00 0.00 32.23 33.70 3a9i h LYS 66 CO 0.54 0.69 0.27 0.00 -0.57 0.00 0.00 179.45 180.37 3a9i n ALA 67 N -2.39 0.58 -2.70 3.86 0.00 -1.26 -4.96 120.51 113.64 3a9i n ALA 67 Ca -0.05 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 3a9i n ALA 67 Cb 0.32 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 3a9i n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a9i s LYS 68 N -2.35 4.41 -0.25 0.00 -0.14 -0.27 -4.88 119.74 116.26 3a9i s LYS 68 Ca 0.67 0.92 -0.20 0.00 -1.36 0.00 0.00 55.97 56.00 3a9i s LYS 68 Cb -0.49 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.16 3a9i s LYS 68 CO 0.54 -0.03 0.62 0.08 -0.76 0.00 0.00 175.35 175.80 3a9i s VAL 69 N 1.11 4.99 0.25 3.17 1.01 -1.26 -0.79 120.40 128.88 3a9i s VAL 69 Ca 0.38 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.53 3a9i s VAL 69 Cb -0.18 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3a9i s VAL 69 CO 0.17 0.04 -0.06 0.68 0.00 0.00 0.00 175.10 175.93 3a9i s VAL 70 N 2.45 1.48 0.00 2.92 -7.23 -0.10 -0.69 120.40 119.22 3a9i s VAL 70 Ca 0.26 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3a9i s VAL 70 Cb -0.16 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.47 3a9i s VAL 70 CO 0.09 -0.38 0.00 1.07 -0.31 0.00 0.00 175.10 175.56 3a9i n THR 71 N -0.48 0.00 -4.12 5.32 5.66 -0.18 -0.98 114.28 119.50 3a9i n THR 71 Ca -0.06 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.86 3a9i n THR 71 Cb 0.63 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.31 3a9i n THR 71 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 3a9i s HIS 72 N -3.38 0.66 0.08 1.09 -3.43 -1.26 -0.43 115.29 108.62 3a9i s HIS 72 Ca 0.00 -1.02 -0.10 0.00 -0.80 0.00 0.00 55.06 53.14 3a9i s HIS 72 Cb 0.00 -0.44 0.01 0.00 -1.43 0.00 0.00 32.58 30.72 3a9i s HIS 72 CO 0.00 -0.30 0.23 0.96 -2.00 0.00 0.00 174.74 173.62 3a9i s ILE 73 N -3.82 0.12 0.89 -5.38 -4.36 0.70 -4.35 121.20 104.99 3a9i s ILE 73 Ca 0.09 -1.02 -0.12 0.00 -0.26 0.00 0.00 60.65 59.35 3a9i s ILE 73 Cb 0.07 -1.22 0.12 0.00 1.25 0.00 0.00 42.46 42.68 3a9i s ILE 73 CO -0.08 -0.56 1.09 -1.10 0.24 0.00 0.00 174.94 174.53 3a9i s GLN 74 N -3.56 1.34 -1.39 0.37 -1.52 -1.26 -1.42 119.66 112.22 3a9i s GLN 74 Ca 0.02 0.80 -0.16 0.00 -1.95 0.00 0.00 55.36 54.07 3a9i s GLN 74 Cb 0.03 -1.82 0.05 0.00 -0.22 0.00 0.00 33.01 31.05 3a9i s GLN 74 CO -0.09 -2.17 2.03 0.00 -0.25 0.00 0.00 175.29 174.80 3a9i s ARG 76 N 3.60 0.38 0.29 0.00 0.52 -1.26 -4.84 118.95 117.65 3a9i s ARG 76 Ca 0.50 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 3a9i s ARG 76 Cb 0.10 -0.40 0.46 0.00 0.52 0.00 0.00 34.95 35.63 3a9i s ARG 76 CO -0.02 0.04 1.77 -0.07 0.02 0.00 0.00 175.30 177.04 3a9i h LEU 77 N 6.36 0.51 -0.82 2.53 3.38 -1.94 -1.65 115.31 123.68 3a9i h LEU 77 Ca -0.31 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 3a9i h LEU 77 Cb 1.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3a9i h LEU 77 CO 0.50 0.69 -0.32 -2.24 0.09 0.00 0.00 178.44 177.15 3a9i h ASP 78 N 0.48 0.52 -0.32 -0.43 2.03 -1.96 -1.15 116.42 115.59 3a9i h ASP 78 Ca 0.08 -0.20 -0.09 0.00 -0.73 0.00 0.00 57.03 56.09 3a9i h ASP 78 Cb 0.54 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 3a9i h ASP 78 CO 0.03 0.82 -0.17 0.00 -1.03 0.00 0.00 179.24 178.89 3a9i h ALA 79 N 1.22 0.45 -0.61 4.15 0.00 -1.82 -2.53 119.26 120.11 3a9i h ALA 79 Ca 0.05 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3a9i h ALA 79 Cb 0.78 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3a9i h ALA 79 CO 0.06 0.37 0.35 0.00 0.00 0.00 0.00 179.25 180.04 3a9i h ALA 80 N 0.77 0.81 0.13 0.00 0.00 -1.09 -0.51 119.26 119.35 3a9i h ALA 80 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a9i h ALA 80 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a9i h ALA 80 CO 0.05 0.05 -0.13 -0.22 0.00 0.00 0.00 179.25 179.00 3a9i h LYS 81 N 0.68 -0.28 -0.45 0.00 3.64 -1.14 -0.23 116.57 118.80 3a9i h LYS 81 Ca 0.26 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3a9i h LYS 81 Cb 0.10 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3a9i h LYS 81 CO -0.14 -0.18 0.20 0.28 -2.27 0.00 0.00 179.45 177.33 3a9i h VAL 82 N -0.29 0.93 -0.28 2.00 2.07 -1.20 -1.91 116.25 117.57 3a9i h VAL 82 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3a9i h VAL 82 Cb 0.28 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3a9i h VAL 82 CO -0.04 0.07 0.15 0.00 0.02 0.00 0.00 177.57 177.78 3a9i h ALA 83 N 1.26 0.36 -0.62 1.67 0.00 -0.82 -2.50 119.26 118.61 3a9i h ALA 83 Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3a9i h ALA 83 Cb 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3a9i h ALA 83 CO -0.16 -0.11 0.33 0.28 0.00 0.00 0.00 179.25 179.59 3a9i h VAL 84 N 0.33 0.95 -0.01 0.00 2.07 -0.88 -2.51 116.25 116.21 3a9i h VAL 84 Ca 0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3a9i h VAL 84 Cb 0.07 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3a9i h VAL 84 CO -0.02 0.11 0.00 -0.33 0.02 0.00 0.00 177.57 177.36 3a9i h GLU 85 N 0.62 0.00 0.00 1.57 5.08 -0.91 -1.34 114.58 119.60 3a9i h GLU 85 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3a9i h GLU 85 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3a9i h GLU 85 CO -0.18 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.62 3a9i h THR 86 N 0.00 0.00 0.00 1.13 1.35 -1.14 -3.46 112.91 110.79 3a9i h THR 86 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3a9i h THR 86 Cb 0.01 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3a9i h THR 86 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3a9i n GLY 87 N -0.10 0.66 3.65 5.82 0.00 -0.50 -4.37 105.19 110.35 3a9i n GLY 87 Ca 0.01 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3a9i n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a9i n VAL 88 N -2.67 3.23 1.11 1.61 0.24 -1.26 -4.88 118.33 115.71 3a9i n VAL 88 Ca 0.00 -0.39 0.12 0.00 -2.04 0.00 0.00 64.34 62.03 3a9i n VAL 88 Cb 0.00 -1.19 0.16 0.00 -1.47 0.00 0.00 33.84 31.34 3a9i n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a9i n GLN 89 N -1.98 1.17 -3.58 7.34 3.00 0.13 -4.92 117.38 118.55 3a9i n GLN 89 Ca 0.14 -0.88 -0.16 0.00 -0.01 0.00 0.00 57.00 56.09 3a9i n GLN 89 Cb 0.49 -1.48 -0.07 0.00 0.00 0.00 0.00 30.24 29.18 3a9i n GLN 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3a9i s GLY 90 N -2.43 -0.55 -0.06 1.08 0.00 -1.24 -1.10 107.32 103.02 3a9i s GLY 90 Ca 0.22 1.59 -0.01 0.00 0.00 0.00 0.00 44.72 46.53 3a9i s GLY 90 CO 0.53 1.27 -0.02 -0.42 0.00 0.00 0.00 173.10 174.46 3a9i s ILE 91 N -0.50 0.45 -0.22 0.90 1.01 0.08 -1.01 121.20 121.91 3a9i s ILE 91 Ca -0.06 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 3a9i s ILE 91 Cb -0.02 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 3a9i s ILE 91 CO 0.06 0.25 0.16 -0.62 0.00 0.00 0.00 174.94 174.79 3a9i s ASP 92 N 1.62 6.19 -0.22 3.58 2.15 0.43 -0.88 116.67 129.54 3a9i s ASP 92 Ca -0.00 0.20 -0.10 0.00 0.43 0.00 0.00 52.55 53.08 3a9i s ASP 92 Cb -0.13 -2.11 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 3a9i s ASP 92 CO -0.04 0.11 0.16 -0.76 -0.17 0.00 0.00 175.17 174.47 3a9i s LEU 93 N 0.73 4.16 0.02 -1.34 1.02 0.98 -0.22 118.68 124.02 3a9i s LEU 93 Ca 0.09 0.17 -0.11 0.00 0.02 0.00 0.00 54.13 54.30 3a9i s LEU 93 Cb -0.12 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 43.92 3a9i s LEU 93 CO 0.02 0.11 0.35 -0.76 0.02 0.00 0.00 176.35 176.09 3a9i s LEU 94 N 0.77 4.40 0.23 1.79 1.43 -0.51 -0.61 118.68 126.19 3a9i s LEU 94 Ca 0.08 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 3a9i s LEU 94 Cb -0.12 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3a9i s LEU 94 CO 0.02 0.27 0.07 0.72 0.23 0.00 0.00 176.35 177.66 3a9i s PHE 95 N -1.22 1.42 -0.06 0.29 -0.12 -0.12 -3.97 117.98 114.20 3a9i s PHE 95 Ca 0.27 -1.14 -0.03 0.00 -0.05 0.00 0.00 56.93 55.98 3a9i s PHE 95 Cb -0.15 -0.82 0.03 0.00 -0.63 0.00 0.00 43.02 41.45 3a9i s PHE 95 CO 0.14 -0.31 0.14 0.20 -0.05 0.00 0.00 175.22 175.34 3a9i s GLY 96 N -3.26 -0.05 -0.01 1.99 0.00 -1.26 -0.71 107.32 104.02 3a9i s GLY 96 Ca 0.33 0.57 0.01 0.00 0.00 0.00 0.00 44.72 45.64 3a9i s GLY 96 CO 0.11 0.78 0.82 -1.30 0.00 0.00 0.00 173.10 173.50 3a9i n THR 97 N 3.84 0.62 -1.68 0.90 -2.24 -1.26 -5.02 114.28 109.44 3a9i n THR 97 Ca -0.22 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.48 3a9i n THR 97 Cb 0.54 0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 3a9i n THR 97 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a9i n SER 98 N -0.34 2.56 0.01 3.42 2.88 -1.26 -4.62 113.62 116.27 3a9i n SER 98 Ca 0.01 1.19 0.22 0.00 -1.33 0.00 0.00 58.87 58.96 3a9i n SER 98 Cb 0.39 -1.44 0.73 0.00 -0.75 0.00 0.00 64.21 63.14 3a9i n SER 98 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3a9i h LYS 99 N 2.83 0.00 -0.37 -1.46 1.57 -1.82 -0.96 116.57 116.35 3a9i h LYS 99 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3a9i h LYS 99 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3a9i h LYS 99 CO 0.65 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.19 3a9i n TYR 100 N -4.04 0.50 0.00 -1.35 4.02 -1.26 -5.14 117.16 109.89 3a9i n TYR 100 Ca 0.10 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3a9i n TYR 100 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 3a9i n TYR 100 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 3a9i n LEU 101 N 0.65 0.00 -0.41 7.72 7.94 -0.37 -5.21 117.00 127.32 3a9i n LEU 101 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 3a9i n LEU 101 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 3a9i n LEU 101 CO 0.10 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.71 3a9i n ASP 108 N 0.00 -0.54 -0.29 1.96 -0.08 -1.26 -4.86 116.55 111.48 3a9i n ASP 108 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 3a9i n ASP 108 Cb 0.00 -0.27 0.18 0.00 2.34 0.00 0.00 41.12 43.37 3a9i n ASP 108 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3a9i h ILE 109 N 0.00 0.86 -0.70 5.18 1.08 -1.99 -2.57 117.51 119.37 3a9i h ILE 109 Ca 0.00 -0.25 0.04 0.00 -0.39 0.00 0.00 64.86 64.26 3a9i h ILE 109 Cb 0.26 0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.02 3a9i h ILE 109 CO 0.00 0.13 0.43 -0.65 -0.69 0.00 0.00 178.15 177.37 3a9i h PRO 110 N 0.74 0.80 -0.30 2.37 0.11 -2.03 -1.42 132.00 132.27 3a9i h PRO 110 Ca 0.41 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.51 3a9i h PRO 110 Cb 0.43 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 3a9i h PRO 110 CO -0.27 0.53 0.06 -0.09 -0.21 0.00 0.00 178.00 178.02 3a9i h ARG 111 N 0.82 0.17 -0.47 1.05 2.43 -1.91 -1.52 114.38 114.95 3a9i h ARG 111 Ca 0.29 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 3a9i h ARG 111 Cb 0.07 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 3a9i h ARG 111 CO -0.13 0.11 0.04 0.82 -1.51 0.00 0.00 179.97 179.30 3a9i h ILE 112 N 0.17 0.68 -0.45 1.20 2.04 -1.05 -0.27 117.51 119.84 3a9i h ILE 112 Ca 0.14 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 3a9i h ILE 112 Cb 0.15 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3a9i h ILE 112 CO -0.18 0.03 -0.16 0.40 0.00 0.00 0.00 178.15 178.23 3a9i h ILE 113 N 0.16 1.27 -0.03 -0.67 2.04 -1.01 -1.82 117.51 117.45 3a9i h ILE 113 Ca 0.23 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3a9i h ILE 113 Cb 0.33 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3a9i h ILE 113 CO -0.35 0.44 -0.06 -0.08 0.00 0.00 0.00 178.15 178.10 3a9i h GLU 114 N 0.76 0.09 -0.87 2.37 4.57 -0.59 -1.85 114.58 119.06 3a9i h GLU 114 Ca 0.11 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.32 3a9i h GLU 114 Cb 0.69 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 3a9i h GLU 114 CO 0.05 0.65 0.52 0.93 -1.18 0.00 0.00 179.01 179.98 3a9i h GLU 115 N -0.47 0.87 0.01 1.92 5.08 -1.10 -1.63 114.58 119.26 3a9i h GLU 115 Ca 0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3a9i h GLU 115 Cb 0.65 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3a9i h GLU 115 CO 0.01 0.57 -0.06 0.00 -1.00 0.00 0.00 179.01 178.54 3a9i h ALA 116 N 1.45 -0.07 -0.49 3.43 0.00 -1.27 -2.56 119.26 119.76 3a9i h ALA 116 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3a9i h ALA 116 Cb 0.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3a9i h ALA 116 CO -0.22 -0.56 0.16 0.87 0.00 0.00 0.00 179.25 179.50 3a9i h LYS 117 N -0.11 0.71 -0.25 0.00 1.57 -0.91 -0.32 116.57 117.27 3a9i h LYS 117 Ca 0.02 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3a9i h LYS 117 Cb 0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3a9i h LYS 117 CO -0.06 0.62 0.14 1.49 -0.57 0.00 0.00 179.45 181.07 3a9i h GLU 118 N 0.70 0.29 -0.19 3.15 4.81 -1.16 -0.46 114.58 121.72 3a9i h GLU 118 Ca 0.16 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3a9i h GLU 118 Cb 0.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3a9i h GLU 118 CO -0.01 0.19 -0.34 0.28 -0.73 0.00 0.00 179.01 178.40 3a9i h VAL 119 N 0.29 1.33 -0.27 0.32 2.07 -1.07 -2.12 116.25 116.82 3a9i h VAL 119 Ca 0.10 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.09 3a9i h VAL 119 Cb -0.00 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3a9i h VAL 119 CO -0.05 0.48 0.05 0.40 0.02 0.00 0.00 177.57 178.48 3a9i h ILE 120 N 0.24 0.87 -0.59 4.57 2.04 -1.04 -1.37 117.51 122.23 3a9i h ILE 120 Ca 0.01 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 65.93 3a9i h ILE 120 Cb 0.93 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 3a9i h ILE 120 CO 0.08 0.03 0.13 0.00 0.00 0.00 0.00 178.15 178.38 3a9i h ALA 121 N 1.20 0.69 -0.32 1.87 0.00 -1.03 0.12 119.26 121.80 3a9i h ALA 121 Ca 0.12 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3a9i h ALA 121 Cb 0.13 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3a9i h ALA 121 CO -0.17 -0.30 0.17 -0.92 0.00 0.00 0.00 179.25 178.03 3a9i h TYR 122 N 0.26 0.31 -0.57 0.00 3.20 -0.90 -2.37 116.97 116.90 3a9i h TYR 122 Ca 0.30 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.08 3a9i h TYR 122 Cb 0.44 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3a9i h TYR 122 CO -0.24 0.17 -0.06 0.82 -1.64 0.00 0.00 178.16 177.21 3a9i h ILE 123 N 0.35 1.27 -0.99 1.81 2.04 -0.60 0.16 117.51 121.54 3a9i h ILE 123 Ca 0.13 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3a9i h ILE 123 Cb 0.03 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 3a9i h ILE 123 CO -0.08 0.43 0.65 0.03 0.00 0.00 0.00 178.15 179.18 3a9i h ARG 124 N 0.93 1.22 0.11 2.37 2.47 -0.65 0.00 114.38 120.83 3a9i h ARG 124 Ca 0.15 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.66 3a9i h ARG 124 Cb 0.62 -0.27 0.02 0.00 -1.65 0.00 0.00 29.97 28.68 3a9i h ARG 124 CO 0.04 0.81 -0.64 1.49 0.56 0.00 0.00 179.97 182.23 3a9i h GLU 125 N 1.25 0.22 -0.07 0.04 4.81 -1.17 -3.15 114.58 116.52 3a9i h GLU 125 Ca 0.40 -0.38 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 3a9i h GLU 125 Cb 0.00 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3a9i h GLU 125 CO -0.13 1.18 -0.66 0.00 -0.73 0.00 0.00 179.01 178.68 3a9i h ALA 126 N 0.05 0.74 -1.52 2.92 0.00 -0.93 -3.40 119.26 117.13 3a9i h ALA 126 Ca -0.11 -0.58 -0.42 0.00 0.00 0.00 0.00 54.91 53.80 3a9i h ALA 126 Cb 1.49 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.91 3a9i h ALA 126 CO 0.11 0.76 -0.82 0.00 0.00 0.00 0.00 179.25 179.30 3a9i n ALA 127 N -2.48 0.91 0.31 0.00 0.00 -0.02 -5.00 120.51 114.23 3a9i n ALA 127 Ca -0.03 -2.42 0.20 0.00 0.00 0.00 0.00 53.44 51.19 3a9i n ALA 127 Cb 0.66 -1.04 1.02 0.00 0.00 0.00 0.00 19.45 20.09 3a9i n ALA 127 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3a9i h PRO 128 N 4.72 0.00 0.00 0.00 0.13 -1.65 -2.37 132.00 132.83 3a9i h PRO 128 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3a9i h PRO 128 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3a9i h PRO 128 CO 0.31 0.02 -0.09 -2.39 -0.23 0.00 0.00 178.00 175.62 3a9i n HIS 129 N -3.23 0.78 -2.72 1.56 1.44 -1.26 -4.87 115.22 106.92 3a9i n HIS 129 Ca -0.02 0.23 -0.42 0.00 -2.01 0.00 0.00 57.72 55.50 3a9i n HIS 129 Cb 0.14 -0.85 -0.03 0.00 0.12 0.00 0.00 29.99 29.37 3a9i n HIS 129 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3a9i s VAL 130 N -3.10 4.74 0.25 0.61 1.01 -0.89 -4.97 120.40 118.06 3a9i s VAL 130 Ca 0.10 2.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 3a9i s VAL 130 Cb 0.13 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 3a9i s VAL 130 CO 0.61 0.21 1.43 -1.61 0.00 0.00 0.00 175.10 175.74 3a9i s GLU 131 N 0.68 4.27 -0.18 2.72 2.02 -0.26 -4.91 118.70 123.04 3a9i s GLU 131 Ca 0.50 2.29 -0.03 0.00 0.02 0.00 0.00 54.97 57.76 3a9i s GLU 131 Cb -0.22 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 3a9i s GLU 131 CO 0.29 -0.40 -0.06 0.08 0.02 0.00 0.00 175.26 175.18 3a9i s VAL 132 N -0.07 3.41 0.19 2.63 1.01 -1.26 -0.74 120.40 125.57 3a9i s VAL 132 Ca 0.59 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 62.17 3a9i s VAL 132 Cb -0.42 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3a9i s VAL 132 CO 0.44 0.46 -0.23 -0.13 0.00 0.00 0.00 175.10 175.64 3a9i s ARG 133 N 0.95 1.48 -0.12 2.72 0.52 -0.06 -0.53 118.95 123.91 3a9i s ARG 133 Ca -0.01 -1.52 -0.04 0.00 -0.52 0.00 0.00 55.73 53.65 3a9i s ARG 133 Cb -0.15 -1.74 0.06 0.00 0.52 0.00 0.00 34.95 33.64 3a9i s ARG 133 CO 0.00 0.37 0.12 0.12 0.02 0.00 0.00 175.30 175.94 3a9i s PHE 134 N -1.78 -0.01 0.04 -0.53 5.36 -0.28 -0.01 117.98 120.76 3a9i s PHE 134 Ca 0.20 0.14 0.04 0.00 -0.96 0.00 0.00 56.93 56.35 3a9i s PHE 134 Cb -0.07 -0.48 -0.02 0.00 -0.34 0.00 0.00 43.02 42.10 3a9i s PHE 134 CO 0.09 -0.39 -0.11 -1.12 -1.46 0.00 0.00 175.22 172.23 3a9i s SER 135 N 2.22 1.28 -0.35 6.13 0.01 0.22 -0.71 113.70 122.49 3a9i s SER 135 Ca 0.04 -0.48 -0.16 0.00 1.31 0.00 0.00 55.95 56.66 3a9i s SER 135 Cb -0.14 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3a9i s SER 135 CO -0.07 -0.07 0.40 0.00 0.41 0.00 0.00 173.24 173.91 3a9i s ALA 136 N -1.04 3.49 0.33 1.44 0.00 -0.74 -0.94 121.76 124.30 3a9i s ALA 136 Ca -0.03 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 3a9i s ALA 136 Cb -0.08 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 3a9i s ALA 136 CO 0.01 -1.14 1.36 -2.00 0.00 0.00 0.00 175.76 173.98 3a9i s GLU 137 N 2.10 4.30 -1.31 0.00 2.12 0.11 -2.99 118.70 123.04 3a9i s GLU 137 Ca 0.13 2.29 -0.03 0.00 0.36 0.00 0.00 54.97 57.72 3a9i s GLU 137 Cb -0.16 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 3a9i s GLU 137 CO 0.12 -0.28 0.61 -3.47 -0.54 0.00 0.00 175.26 171.70 3a9i n ASP 138 N 0.95 -1.57 -0.25 -1.70 2.03 -1.13 -4.56 116.55 110.32 3a9i n ASP 138 Ca 0.01 -0.92 0.03 0.00 0.52 0.00 0.00 54.79 54.43 3a9i n ASP 138 Cb 0.41 -3.62 0.16 0.00 -0.72 0.00 0.00 41.12 37.35 3a9i n ASP 138 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3a9i h THR 139 N -1.84 0.80 -0.38 5.18 2.02 -0.84 -2.89 112.91 114.95 3a9i h THR 139 Ca -0.63 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3a9i h THR 139 Cb 1.36 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3a9i h THR 139 CO 0.57 0.11 0.00 0.49 0.37 0.00 0.00 175.52 177.06 3a9i n PHE 140 N -4.89 0.97 -1.02 3.16 3.72 -1.26 -1.74 117.46 116.40 3a9i n PHE 140 Ca 0.12 -0.37 0.08 0.00 -0.05 0.00 0.00 57.45 57.23 3a9i n PHE 140 Cb 0.32 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 38.77 3a9i n PHE 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3a9i n ARG 141 N 0.54 1.36 -4.23 -1.08 1.74 -1.09 -4.82 116.66 109.08 3a9i n ARG 141 Ca 0.16 -2.34 -0.32 0.00 -0.77 0.00 0.00 57.85 54.57 3a9i n ARG 141 Cb 0.63 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 3a9i n ARG 141 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3a9i s SER 142 N -2.53 5.19 0.12 0.55 0.01 -0.71 -2.36 113.70 113.96 3a9i s SER 142 Ca 0.26 -0.01 -0.31 0.00 1.31 0.00 0.00 55.95 57.20 3a9i s SER 142 Cb 0.23 -1.36 -0.08 0.00 0.21 0.00 0.00 66.02 65.02 3a9i s SER 142 CO 0.02 0.26 1.46 -1.61 0.41 0.00 0.00 173.24 173.79 3a9i s GLU 143 N -1.71 4.28 0.39 12.44 2.02 -1.26 -4.89 118.70 129.97 3a9i s GLU 143 Ca 0.21 2.17 0.07 0.00 0.02 0.00 0.00 54.97 57.43 3a9i s GLU 143 Cb -0.12 -3.28 0.80 0.00 0.10 0.00 0.00 34.13 31.63 3a9i s GLU 143 CO 0.12 -0.52 2.01 1.05 0.02 0.00 0.00 175.26 177.94 3a9i h GLU 144 N 7.02 0.53 -0.13 1.61 4.11 -1.98 -1.02 114.58 124.71 3a9i h GLU 144 Ca -0.42 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 3a9i h GLU 144 Cb 1.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3a9i h GLU 144 CO 0.89 0.40 -0.15 -0.56 0.07 0.00 0.00 179.01 179.66 3a9i h GLN 145 N 0.54 0.21 -0.09 1.06 -0.00 -1.99 0.11 115.11 114.94 3a9i h GLN 145 Ca 0.14 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 3a9i h GLN 145 Cb 0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 27.49 3a9i h GLN 145 CO -0.02 0.36 -0.07 -0.44 -0.00 0.00 0.00 178.83 178.67 3a9i h ASP 146 N 0.20 0.22 -0.17 0.06 3.32 -1.59 -2.37 116.42 116.08 3a9i h ASP 146 Ca 0.04 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.68 3a9i h ASP 146 Cb 0.39 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3a9i h ASP 146 CO 0.02 0.62 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.99 3a9i h LEU 147 N -0.18 -0.34 -0.94 1.55 3.38 -1.05 -2.78 115.31 114.95 3a9i h LEU 147 Ca 0.02 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3a9i h LEU 147 Cb 0.55 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3a9i h LEU 147 CO 0.02 -0.14 -0.28 -0.07 0.09 0.00 0.00 178.44 178.06 3a9i h LEU 148 N -0.10 0.45 -0.61 1.67 3.38 -0.83 -0.58 115.31 118.69 3a9i h LEU 148 Ca 0.10 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3a9i h LEU 148 Cb 0.24 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3a9i h LEU 148 CO -0.23 0.72 0.31 0.00 0.09 0.00 0.00 178.44 179.33 3a9i h ALA 149 N 1.32 0.80 0.00 1.53 0.00 -1.34 0.07 119.26 121.64 3a9i h ALA 149 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a9i h ALA 149 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3a9i h ALA 149 CO 0.05 -0.05 -0.00 0.28 0.00 0.00 0.00 179.25 179.53 3a9i h VAL 150 N 0.57 1.60 -0.59 0.00 2.07 -1.09 -2.40 116.25 116.40 3a9i h VAL 150 Ca 0.28 -1.83 0.12 0.00 0.82 0.00 0.00 66.70 66.09 3a9i h VAL 150 Cb 0.22 2.84 -0.09 0.00 -1.52 0.00 0.00 31.29 32.73 3a9i h VAL 150 CO -0.20 0.47 0.09 1.88 0.02 0.00 0.00 177.57 179.83 3a9i h TYR 151 N -0.79 0.14 -0.14 1.57 0.05 -1.14 -1.74 116.97 114.92 3a9i h TYR 151 Ca -0.00 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 3a9i h TYR 151 Cb 0.78 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 3a9i h TYR 151 CO 0.20 -0.06 -0.44 1.49 -1.05 0.00 0.00 178.16 178.30 3a9i h GLU 152 N 0.22 0.33 -0.46 4.88 4.81 -0.98 0.13 114.58 123.51 3a9i h GLU 152 Ca 0.31 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3a9i h GLU 152 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3a9i h GLU 152 CO -0.43 0.71 -0.14 0.00 -0.73 0.00 0.00 179.01 178.42 3a9i h ALA 153 N 1.27 0.88 0.00 2.92 0.00 -1.01 -3.34 119.26 119.99 3a9i h ALA 153 Ca 0.02 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 3a9i h ALA 153 Cb 0.89 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3a9i h ALA 153 CO 0.07 0.63 -1.58 1.33 0.00 0.00 0.00 179.25 179.71 3a9i n VAL 154 N -4.14 0.99 -0.34 0.00 0.24 -0.69 -4.55 118.33 109.84 3a9i n VAL 154 Ca 0.01 -0.67 0.16 0.00 -2.04 0.00 0.00 64.34 61.80 3a9i n VAL 154 Cb 0.40 -0.56 0.37 0.00 -1.47 0.00 0.00 33.84 32.58 3a9i n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a9i h ALA 155 N 1.51 1.74 0.00 2.33 0.00 -1.09 -0.30 119.26 123.45 3a9i h ALA 155 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a9i h ALA 155 Cb 1.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3a9i h ALA 155 CO 0.03 -0.23 0.00 -1.35 0.00 0.00 0.00 179.25 177.70 3a9i h PRO 156 N 0.60 0.00 -0.01 0.00 0.11 -1.80 -3.00 132.00 127.89 3a9i h PRO 156 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3a9i h PRO 156 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a9i h PRO 156 CO -0.46 0.00 -0.22 0.66 -0.21 0.00 0.00 178.00 177.77 3a9i n TYR 157 N -2.80 0.00 -4.53 0.65 4.01 -0.13 -5.00 117.16 109.36 3a9i n TYR 157 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 3a9i n TYR 157 Cb 0.08 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 3a9i n TYR 157 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3a9i s VAL 158 N -1.51 2.19 -0.10 -0.72 -7.23 -1.14 -4.96 120.40 106.94 3a9i s VAL 158 Ca 0.11 -2.21 0.15 0.00 -1.81 0.00 0.00 61.98 58.22 3a9i s VAL 158 Cb 0.10 -2.60 -0.16 0.00 0.56 0.00 0.00 36.38 34.28 3a9i s VAL 158 CO 0.29 -0.23 0.78 0.44 -0.31 0.00 0.00 175.10 176.08 3a9i h ASP 159 N 2.07 0.00 -4.35 4.85 3.32 -1.11 -3.46 116.42 117.74 3a9i h ASP 159 Ca -0.42 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.56 3a9i h ASP 159 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.59 3a9i h ASP 159 CO 0.69 0.71 0.02 -0.60 -1.72 0.00 0.00 179.24 178.35 3a9i s ARG 160 N -2.82 0.80 0.16 3.56 3.52 -1.12 -1.73 118.95 121.33 3a9i s ARG 160 Ca -0.03 0.58 0.08 0.00 -0.13 0.00 0.00 55.73 56.23 3a9i s ARG 160 Cb 0.08 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 3a9i s ARG 160 CO 0.81 -0.16 -0.09 0.14 -0.81 0.00 0.00 175.30 175.19 3a9i s VAL 161 N -0.26 3.25 -0.00 7.11 -7.23 -0.45 -1.13 120.40 121.70 3a9i s VAL 161 Ca -0.04 -1.54 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3a9i s VAL 161 Cb -0.03 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 3a9i s VAL 161 CO 0.04 -0.05 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.79 3a9i s GLY 162 N -2.66 0.79 -0.13 2.32 0.00 0.11 -0.53 107.32 107.21 3a9i s GLY 162 Ca 0.24 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 3a9i s GLY 162 CO 0.15 -0.61 -0.06 1.08 0.00 0.00 0.00 173.10 173.66 3a9i s LEU 163 N -0.51 3.17 -0.15 0.66 1.02 -0.23 -1.78 118.68 120.86 3a9i s LEU 163 Ca 0.06 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.08 3a9i s LEU 163 Cb -0.06 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.44 3a9i s LEU 163 CO -0.00 0.22 -0.05 0.00 0.02 0.00 0.00 176.35 176.54 3a9i s ALA 164 N 0.07 1.36 -1.28 4.21 0.00 -1.16 -1.28 121.76 123.67 3a9i s ALA 164 Ca -0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3a9i s ALA 164 Cb -0.14 -1.05 0.15 0.00 0.00 0.00 0.00 23.12 22.09 3a9i s ALA 164 CO 0.03 -0.69 1.79 -3.47 0.00 0.00 0.00 175.76 173.41 3a9i n ASP 165 N 4.92 5.01 -0.15 0.00 2.03 0.24 -0.60 116.55 128.01 3a9i n ASP 165 Ca -0.11 -3.05 0.04 0.00 0.52 0.00 0.00 54.79 52.19 3a9i n ASP 165 Cb 0.48 -1.53 0.34 0.00 -0.72 0.00 0.00 41.12 39.69 3a9i n ASP 165 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3a9i h THR 166 N 4.07 1.09 -0.00 5.18 2.02 -1.92 -2.31 112.91 121.04 3a9i h THR 166 Ca 0.39 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3a9i h THR 166 Cb 0.70 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3a9i h THR 166 CO 1.54 0.14 -0.65 0.55 0.37 0.00 0.00 175.52 177.48 3a9i n VAL 167 N -4.46 0.00 -3.00 3.16 3.14 -1.26 -4.82 118.33 111.09 3a9i n VAL 167 Ca 0.08 -0.08 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 3a9i n VAL 167 Cb 0.13 0.80 0.04 0.00 -1.06 0.00 0.00 33.84 33.75 3a9i n VAL 167 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3a9i n GLY 168 N 1.46 0.10 0.00 7.55 0.00 -0.91 -4.72 105.19 108.67 3a9i n GLY 168 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.94 3a9i n GLY 168 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a9i n VAL 169 N -3.53 0.00 -1.70 1.61 0.24 -1.26 -2.84 118.33 110.85 3a9i n VAL 169 Ca -0.04 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.34 61.47 3a9i n VAL 169 Cb 0.55 0.99 0.04 0.00 -1.47 0.00 0.00 33.84 33.95 3a9i n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a9i n ALA 170 N -1.10 1.07 -2.93 2.33 0.00 -1.26 -5.02 120.51 113.60 3a9i n ALA 170 Ca 0.01 0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 3a9i n ALA 170 Cb 0.06 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 3a9i n ALA 170 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3a9i s THR 171 N -1.34 5.17 0.30 0.00 -4.23 -1.26 -4.88 115.64 109.40 3a9i s THR 171 Ca 0.72 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 60.41 3a9i s THR 171 Cb -0.43 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 69.99 3a9i s THR 171 CO 0.49 -0.16 1.89 -0.65 -0.54 0.00 0.00 174.62 175.66 3a9i h PRO 172 N 1.93 0.99 0.00 3.99 0.11 -1.91 -1.55 132.00 135.56 3a9i h PRO 172 Ca -0.49 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3a9i h PRO 172 Cb 1.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3a9i h PRO 172 CO 0.66 0.65 -0.32 0.00 -0.21 0.00 0.00 178.00 178.78 3a9i h ARG 173 N 1.02 0.00 -0.41 1.05 3.08 -1.96 -1.67 114.38 115.48 3a9i h ARG 173 Ca 0.42 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.37 3a9i h ARG 173 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3a9i h ARG 173 CO -0.18 0.32 -0.16 1.96 -1.07 0.00 0.00 179.97 180.84 3a9i h GLN 174 N 0.00 0.83 -0.38 0.04 4.20 -1.71 -1.82 115.11 116.27 3a9i h GLN 174 Ca -0.00 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 3a9i h GLN 174 Cb 1.02 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 3a9i h GLN 174 CO 0.04 0.98 0.13 0.28 -0.67 0.00 0.00 178.83 179.59 3a9i h VAL 175 N 0.65 1.20 -0.05 -0.54 2.07 -1.08 -1.02 116.25 117.48 3a9i h VAL 175 Ca 0.10 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3a9i h VAL 175 Cb 0.71 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3a9i h VAL 175 CO 0.05 0.23 -0.02 0.22 0.02 0.00 0.00 177.57 178.07 3a9i h TYR 176 N 0.46 -0.04 -0.40 1.57 3.20 -1.31 -0.94 116.97 119.51 3a9i h TYR 176 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3a9i h TYR 176 Cb 0.23 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3a9i h TYR 176 CO 0.00 -0.03 0.24 0.00 -1.64 0.00 0.00 178.16 176.73 3a9i h ALA 177 N 1.04 0.51 -0.26 1.82 0.00 -1.15 -1.76 119.26 119.46 3a9i h ALA 177 Ca 0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3a9i h ALA 177 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a9i h ALA 177 CO -0.06 0.01 -0.57 1.25 0.00 0.00 0.00 179.25 179.89 3a9i h LEU 178 N 0.53 0.90 -0.83 0.00 5.85 -1.07 -1.99 115.31 118.71 3a9i h LEU 178 Ca 0.14 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3a9i h LEU 178 Cb 0.01 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3a9i h LEU 178 CO -0.03 1.28 0.54 0.58 -0.34 0.00 0.00 178.44 180.47 3a9i h VAL 179 N 0.61 1.17 -0.86 1.05 2.07 -1.05 0.90 116.25 120.15 3a9i h VAL 179 Ca 0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3a9i h VAL 179 Cb 1.17 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3a9i h VAL 179 CO 0.12 0.20 0.42 0.03 0.02 0.00 0.00 177.57 178.36 3a9i h ARG 180 N 1.08 1.23 -0.49 1.57 2.47 -1.09 -0.47 114.38 118.68 3a9i h ARG 180 Ca 0.32 -0.17 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 3a9i h ARG 180 Cb -0.06 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.02 3a9i h ARG 180 CO -0.09 0.93 0.07 0.93 0.56 0.00 0.00 179.97 182.38 3a9i h GLU 181 N 1.22 0.81 -0.61 0.04 5.08 -0.60 -2.71 114.58 117.81 3a9i h GLU 181 Ca 0.30 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3a9i h GLU 181 Cb 0.10 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3a9i h GLU 181 CO -0.04 0.82 0.26 0.28 -1.00 0.00 0.00 179.01 179.32 3a9i h VAL 182 N 0.68 1.23 -0.86 3.13 2.07 -0.56 -2.66 116.25 119.28 3a9i h VAL 182 Ca 0.15 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.05 3a9i h VAL 182 Cb 0.40 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3a9i h VAL 182 CO 0.01 0.27 0.56 -0.09 0.02 0.00 0.00 177.57 178.34 3a9i h ARG 183 N 0.85 0.89 0.00 1.57 9.65 -0.98 -1.05 114.38 125.31 3a9i h ARG 183 Ca 0.21 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.98 3a9i h ARG 183 Cb 0.18 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3a9i h ARG 183 CO -0.02 0.59 -0.27 0.00 2.80 0.00 0.00 179.97 183.07 3a9i h ARG 184 N 0.92 0.00 0.00 0.20 2.47 -1.15 -2.93 114.38 113.89 3a9i h ARG 184 Ca 0.38 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.85 3a9i h ARG 184 Cb 0.28 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.56 3a9i h ARG 184 CO -0.15 0.27 -2.00 0.28 0.56 0.00 0.00 179.97 178.94 3a9i n VAL 185 N -4.20 1.14 0.17 2.04 0.31 -0.51 -4.33 118.33 112.96 3a9i n VAL 185 Ca -0.02 -0.75 0.11 0.00 -0.01 0.00 0.00 64.34 63.67 3a9i n VAL 185 Cb 0.32 -0.53 -0.09 0.00 -0.91 0.00 0.00 33.84 32.63 3a9i n VAL 185 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3a9i n VAL 186 N -2.74 0.19 -2.32 2.52 0.24 -0.56 -4.67 118.33 110.99 3a9i n VAL 186 Ca -0.20 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3a9i n VAL 186 Cb 0.97 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3a9i n VAL 186 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a9i n GLY 187 N 1.27 -2.16 0.21 7.63 0.00 -1.11 -4.36 105.19 106.67 3a9i n GLY 187 Ca -0.02 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.46 3a9i n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a9i h PRO 188 N 0.00 0.00 0.08 1.61 0.13 -1.97 -3.31 132.00 128.54 3a9i h PRO 188 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 3a9i h PRO 188 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3a9i h PRO 188 CO 0.00 0.28 -1.85 -2.13 -0.23 0.00 0.00 178.00 174.07 3a9i n ARG 189 N -3.65 0.69 -2.24 0.86 0.63 -1.26 -4.93 116.66 106.77 3a9i n ARG 189 Ca -0.01 0.34 -0.42 0.00 -0.92 0.00 0.00 57.85 56.84 3a9i n ARG 189 Cb 0.40 -1.70 -0.03 0.00 0.45 0.00 0.00 32.46 31.59 3a9i n ARG 189 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3a9i s VAL 190 N -2.50 3.60 0.64 5.15 1.01 -1.25 -5.00 120.40 122.04 3a9i s VAL 190 Ca -0.26 1.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 3a9i s VAL 190 Cb 0.07 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3a9i s VAL 190 CO 0.70 0.05 0.93 -1.81 0.00 0.00 0.00 175.10 174.97 3a9i s ASP 191 N 1.40 5.18 -0.06 3.32 1.01 -0.71 -4.86 116.67 121.95 3a9i s ASP 191 Ca 0.63 0.48 0.01 0.00 0.71 0.00 0.00 52.55 54.38 3a9i s ASP 191 Cb -0.33 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.32 3a9i s ASP 191 CO 0.29 -1.33 -0.07 -0.63 0.21 0.00 0.00 175.17 173.64 3a9i s ILE 192 N -3.07 0.78 0.07 0.77 1.01 -1.26 -1.34 121.20 118.16 3a9i s ILE 192 Ca 0.57 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 61.03 3a9i s ILE 192 Cb -0.11 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 3a9i s ILE 192 CO 0.44 0.29 -0.00 -1.83 0.00 0.00 0.00 174.94 173.83 3a9i s GLU 193 N 1.03 2.59 -0.07 2.79 -1.05 0.30 -0.72 118.70 123.56 3a9i s GLU 193 Ca -0.09 -0.80 0.03 0.00 -0.15 0.00 0.00 54.97 53.96 3a9i s GLU 193 Cb -0.14 -2.56 0.01 0.00 -0.44 0.00 0.00 34.13 30.99 3a9i s GLU 193 CO -0.00 0.55 -0.17 0.12 0.95 0.00 0.00 175.26 176.71 3a9i s PHE 194 N -1.27 1.85 -0.21 4.83 5.36 0.13 -1.07 117.98 127.61 3a9i s PHE 194 Ca 0.25 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 3a9i s PHE 194 Cb -0.12 -1.29 0.04 0.00 -0.34 0.00 0.00 43.02 41.32 3a9i s PHE 194 CO 0.17 -0.30 -0.12 -1.58 -1.46 0.00 0.00 175.22 171.94 3a9i s HIS 195 N 0.43 2.63 -0.10 10.12 5.65 -0.41 -1.42 115.29 132.20 3a9i s HIS 195 Ca -0.14 -1.75 0.02 0.00 0.25 0.00 0.00 55.06 53.44 3a9i s HIS 195 Cb -0.16 -1.73 0.01 0.00 -1.18 0.00 0.00 32.58 29.53 3a9i s HIS 195 CO 0.05 -0.78 -0.14 0.20 -0.65 0.00 0.00 174.74 173.42 3a9i s GLY 196 N 1.32 0.96 0.61 1.59 0.00 -1.26 -0.59 107.32 109.95 3a9i s GLY 196 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 3a9i s GLY 196 CO -0.08 0.25 1.02 0.30 0.00 0.00 0.00 173.10 174.59 3a9i s HIS 197 N 0.97 3.57 -0.20 1.90 3.76 -0.99 -2.36 115.29 121.95 3a9i s HIS 197 Ca -0.08 1.33 0.16 0.00 -0.15 0.00 0.00 55.06 56.32 3a9i s HIS 197 Cb -0.15 -2.74 0.59 0.00 1.11 0.00 0.00 32.58 31.39 3a9i s HIS 197 CO -0.01 -0.67 1.50 -1.71 -0.85 0.00 0.00 174.74 173.00 3a9i n ASN 198 N -2.58 4.26 0.28 1.40 5.15 -0.36 -4.03 115.26 119.39 3a9i n ASN 198 Ca 0.06 -3.02 0.13 0.00 -0.60 0.00 0.00 54.58 51.15 3a9i n ASN 198 Cb 0.54 -0.58 0.81 0.00 -0.53 0.00 0.00 39.78 40.02 3a9i n ASN 198 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3a9i h ASP 199 N 2.25 0.00 -0.19 1.20 3.32 -1.82 -1.47 116.42 119.70 3a9i h ASP 199 Ca 0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3a9i h ASP 199 Cb 1.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 3a9i h ASP 199 CO 0.29 0.03 -0.03 0.35 -1.72 0.00 0.00 179.24 178.17 3a9i n THR 200 N -3.97 2.21 -1.30 0.35 -2.24 -1.13 -4.97 114.28 103.23 3a9i n THR 200 Ca -0.03 -2.16 -0.10 0.00 -2.27 0.00 0.00 64.05 59.49 3a9i n THR 200 Cb 0.12 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 3a9i n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a9i n GLY 201 N -0.88 1.18 0.61 3.38 0.00 -0.56 -4.91 105.19 104.01 3a9i n GLY 201 Ca 0.21 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3a9i n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9i h ALA 203 N 1.95 0.23 -0.23 0.00 0.00 -1.87 0.19 119.26 119.53 3a9i h ALA 203 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3a9i h ALA 203 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3a9i h ALA 203 CO 0.00 -0.22 -0.03 0.82 0.00 0.00 0.00 179.25 179.83 3a9i h ILE 204 N 0.17 1.27 -0.61 0.00 2.04 -1.91 -1.62 117.51 116.85 3a9i h ILE 204 Ca 0.06 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3a9i h ILE 204 Cb 0.10 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3a9i h ILE 204 CO -0.01 0.30 0.35 0.00 0.00 0.00 0.00 178.15 178.79 3a9i h ALA 205 N 0.78 1.46 -0.21 1.87 0.00 -1.83 -0.83 119.26 120.50 3a9i h ALA 205 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3a9i h ALA 205 Cb 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a9i h ALA 205 CO 0.02 0.46 -0.44 -0.91 0.00 0.00 0.00 179.25 178.37 3a9i h ASN 206 N 0.85 0.74 -0.79 0.00 2.35 -0.56 -1.00 115.58 117.17 3a9i h ASN 206 Ca 0.22 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3a9i h ASN 206 Cb 0.00 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 3a9i h ASN 206 CO -0.04 1.16 0.51 0.00 -1.65 0.00 0.00 177.43 177.41 3a9i h ALA 207 N 0.60 1.01 -0.09 -0.83 0.00 -0.98 0.38 119.26 119.35 3a9i h ALA 207 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a9i h ALA 207 Cb 1.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3a9i h ALA 207 CO 0.10 0.44 0.04 -0.92 0.00 0.00 0.00 179.25 178.90 3a9i h TYR 208 N 1.08 0.12 -0.13 0.00 3.20 -1.03 -2.40 116.97 117.80 3a9i h TYR 208 Ca 0.29 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 3a9i h TYR 208 Cb -0.10 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3a9i h TYR 208 CO -0.01 0.19 -0.28 0.93 -1.64 0.00 0.00 178.16 177.35 3a9i h GLU 209 N 0.02 0.24 -0.35 1.82 4.39 -0.72 0.82 114.58 120.79 3a9i h GLU 209 Ca 0.03 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3a9i h GLU 209 Cb 0.12 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3a9i h GLU 209 CO -0.00 0.51 0.19 0.00 -1.16 0.00 0.00 179.01 178.55 3a9i h ALA 210 N 1.49 0.44 -0.47 3.43 0.00 -0.80 -1.36 119.26 122.00 3a9i h ALA 210 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a9i h ALA 210 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3a9i h ALA 210 CO 0.04 -0.17 0.22 0.82 0.00 0.00 0.00 179.25 180.17 3a9i h ILE 211 N 0.40 1.19 -0.97 0.00 2.04 -0.85 -0.36 117.51 118.96 3a9i h ILE 211 Ca 0.14 -0.55 0.17 0.00 1.00 0.00 0.00 64.86 65.63 3a9i h ILE 211 Cb 0.03 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 3a9i h ILE 211 CO -0.08 0.21 0.61 -0.08 0.00 0.00 0.00 178.15 178.81 3a9i h GLU 212 N 0.61 0.71 0.00 2.37 4.81 -0.60 -1.02 114.58 121.46 3a9i h GLU 212 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3a9i h GLU 212 Cb 0.13 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3a9i h GLU 212 CO -0.02 0.47 -0.08 0.00 -0.73 0.00 0.00 179.01 178.65 3a9i n ALA 213 N -2.38 2.49 0.00 2.92 0.00 -0.54 -4.91 120.51 118.09 3a9i n ALA 213 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3a9i n ALA 213 Cb 0.55 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3a9i n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a9i n GLY 214 N 1.47 0.71 3.76 0.00 0.00 -0.38 -4.39 105.19 106.36 3a9i n GLY 214 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3a9i n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a9i s ALA 215 N -1.65 2.55 -0.12 4.61 0.00 -0.20 -4.75 121.76 122.20 3a9i s ALA 215 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3a9i s ALA 215 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3a9i s ALA 215 CO 0.00 -1.11 0.17 0.25 0.00 0.00 0.00 175.76 175.07 3a9i n THR 216 N -1.68 0.00 -4.06 0.00 -2.24 0.10 -4.40 114.28 101.99 3a9i n THR 216 Ca 0.13 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 3a9i n THR 216 Cb 0.50 0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 3a9i n THR 216 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a9i s HIS 217 N -1.98 0.36 -0.01 4.78 3.76 -0.86 -0.33 115.29 121.00 3a9i s HIS 217 Ca -0.00 -0.06 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 3a9i s HIS 217 Cb 0.04 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.45 3a9i s HIS 217 CO 0.23 -0.03 -0.12 0.14 -0.85 0.00 0.00 174.74 174.10 3a9i s VAL 218 N 0.13 0.95 0.04 -0.90 -7.23 -0.74 -0.69 120.40 111.95 3a9i s VAL 218 Ca -0.01 -0.50 -0.25 0.00 -1.81 0.00 0.00 61.98 59.41 3a9i s VAL 218 Cb -0.04 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 36.05 3a9i s VAL 218 CO -0.00 0.27 0.77 -1.81 -0.31 0.00 0.00 175.10 174.01 3a9i s ASP 219 N -0.20 7.21 0.10 4.85 1.11 -0.50 -0.48 116.67 128.76 3a9i s ASP 219 Ca 0.03 1.45 0.02 0.00 0.18 0.00 0.00 52.55 54.23 3a9i s ASP 219 Cb -0.05 -2.47 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 3a9i s ASP 219 CO -0.00 0.01 -0.07 0.42 1.18 0.00 0.00 175.17 176.71 3a9i s THR 220 N -0.05 0.74 0.15 -1.27 -4.23 -0.46 -4.45 115.64 106.07 3a9i s THR 220 Ca 0.39 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 3a9i s THR 220 Cb -0.20 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3a9i s THR 220 CO 0.23 -0.84 -0.16 0.42 -0.54 0.00 0.00 174.62 173.73 3a9i s THR 221 N -3.50 1.57 0.18 3.99 -4.23 -0.90 0.27 115.64 113.02 3a9i s THR 221 Ca 0.11 -1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 58.44 3a9i s THR 221 Cb 0.04 -1.73 -0.10 0.00 1.34 0.00 0.00 72.50 72.06 3a9i s THR 221 CO -0.04 -0.41 1.49 -0.63 -0.54 0.00 0.00 174.62 174.49 3a9i s ILE 222 N -2.25 2.79 0.00 2.99 1.01 -1.26 -0.88 121.20 123.60 3a9i s ILE 222 Ca 0.14 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3a9i s ILE 222 Cb -0.04 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3a9i s ILE 222 CO 0.05 0.06 0.00 0.18 0.00 0.00 0.00 174.94 175.23 3a9i n LEU 223 N 3.53 0.90 -0.64 2.97 4.77 -1.26 -2.79 117.00 124.48 3a9i n LEU 223 Ca 0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 3a9i n LEU 223 Cb 0.40 -2.27 -0.04 0.00 -2.33 0.00 0.00 43.42 39.18 3a9i n LEU 223 CO 0.61 -0.89 -0.08 0.61 -1.33 0.00 0.00 177.39 176.31 3a9i n GLY 224 N 0.52 0.94 3.68 -0.72 0.00 -0.72 -4.90 105.19 103.99 3a9i n GLY 224 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3a9i n GLY 224 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a9i n ILE 225 N -2.49 3.33 -1.66 -0.61 -5.35 -1.12 -2.31 119.36 109.15 3a9i n ILE 225 Ca -0.08 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 3a9i n ILE 225 Cb 0.41 -1.41 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 3a9i n ILE 225 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a9i n GLY 226 N 0.99 -1.80 3.63 3.28 0.00 -1.26 -4.21 105.19 105.83 3a9i n GLY 226 Ca 0.10 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3a9i n GLY 226 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a9i n GLU 227 N -0.32 1.65 0.00 1.61 2.13 -1.25 -3.64 120.64 120.82 3a9i n GLU 227 Ca 0.00 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3a9i n GLU 227 Cb 0.00 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 29.66 3a9i n GLU 227 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3a9i n ARG 228 N 0.60 0.00 -0.12 5.31 1.74 -1.26 -0.50 116.66 122.42 3a9i n ARG 228 Ca 0.08 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.21 3a9i n ARG 228 Cb 0.34 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.95 3a9i n ARG 228 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3a9i n ASN 229 N 3.37 1.34 0.00 0.55 6.94 -1.26 -4.89 115.26 121.30 3a9i n ASN 229 Ca 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 3a9i n ASN 229 Cb 0.00 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 3a9i n ASN 229 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a9i n GLY 230 N 0.93 -1.79 2.41 4.83 0.00 0.34 -4.76 105.19 107.15 3a9i n GLY 230 Ca 0.10 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.32 3a9i n GLY 230 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a9i n ILE 231 N 0.00 0.00 -1.53 -0.61 -5.35 -0.98 -1.22 119.36 109.67 3a9i n ILE 231 Ca 0.00 -1.59 -0.64 0.00 -0.27 0.00 0.00 62.75 60.25 3a9i n ILE 231 Cb 0.00 0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 38.11 3a9i n ILE 231 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3a9i n THR 232 N -0.84 0.01 -2.80 7.28 -1.04 -1.00 -4.50 114.28 111.39 3a9i n THR 232 Ca -0.14 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.49 3a9i n THR 232 Cb 0.43 -0.52 -0.06 0.00 -1.82 0.00 0.00 70.33 68.35 3a9i n THR 232 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3a9i s PRO 233 N 4.33 4.65 0.12 -2.82 0.04 -1.26 -2.11 135.00 137.95 3a9i s PRO 233 Ca 1.11 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 3a9i s PRO 233 Cb -1.49 -2.99 -0.09 0.00 0.04 0.00 0.00 34.50 29.97 3a9i s PRO 233 CO 0.75 0.38 1.57 1.25 0.04 0.00 0.00 177.00 180.99 3a9i h LEU 234 N 3.58 -1.48 -0.25 -3.56 5.85 -1.35 -1.21 115.31 116.89 3a9i h LEU 234 Ca -0.46 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.50 3a9i h LEU 234 Cb 1.20 0.58 -0.06 0.00 0.37 0.00 0.00 40.66 42.74 3a9i h LEU 234 CO 0.66 -0.47 -0.16 1.23 -0.34 0.00 0.00 178.44 179.36 3a9i h GLY 235 N -0.57 0.01 1.02 3.75 0.00 -1.92 -0.63 103.07 104.73 3a9i h GLY 235 Ca 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3a9i h GLY 235 CO -0.38 -0.17 0.45 -1.33 0.00 0.00 0.00 176.54 175.11 3a9i h GLY 236 N -0.15 1.21 0.93 4.60 0.00 -1.83 -0.65 103.07 107.18 3a9i h GLY 236 Ca 0.14 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3a9i h GLY 236 CO -0.34 0.52 0.03 -2.75 0.00 0.00 0.00 176.54 174.00 3a9i h PHE 237 N 1.13 0.69 -0.72 5.60 3.57 -0.89 -1.68 116.94 124.62 3a9i h PHE 237 Ca 0.29 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3a9i h PHE 237 Cb 0.02 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3a9i h PHE 237 CO 0.00 0.71 0.30 -0.07 -2.23 0.00 0.00 178.31 177.02 3a9i h LEU 238 N 0.47 0.97 -0.06 0.59 3.38 -0.84 -0.25 115.31 119.57 3a9i h LEU 238 Ca 0.11 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3a9i h LEU 238 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3a9i h LEU 238 CO 0.01 0.86 -0.07 0.00 0.09 0.00 0.00 178.44 179.33 3a9i h ALA 239 N 1.28 -0.02 -0.44 1.53 0.00 -0.94 0.41 119.26 121.07 3a9i h ALA 239 Ca 0.24 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3a9i h ALA 239 Cb 0.18 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3a9i h ALA 239 CO -0.02 -0.55 0.15 -0.09 0.00 0.00 0.00 179.25 178.75 3a9i h ARG 240 N -0.10 0.31 -0.05 0.00 9.65 -0.81 -2.66 114.38 120.73 3a9i h ARG 240 Ca 0.05 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.70 3a9i h ARG 240 Cb 0.17 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3a9i h ARG 240 CO -0.12 0.21 -0.86 0.52 2.80 0.00 0.00 179.97 182.51 3a9i h MET 241 N 0.32 0.51 -0.85 0.20 2.86 -0.76 -3.23 114.93 113.98 3a9i h MET 241 Ca 0.21 -0.48 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 3a9i h MET 241 Cb 0.20 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 3a9i h MET 241 CO -0.21 1.12 0.56 -0.92 1.06 0.00 0.00 176.91 178.51 3a9i h TYR 242 N 0.32 1.02 0.00 -0.22 3.20 -0.05 0.17 116.97 121.41 3a9i h TYR 242 Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3a9i h TYR 242 Cb 1.48 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 3a9i h TYR 242 CO 0.06 0.60 -0.03 1.79 -1.64 0.00 0.00 178.16 178.94 3a9i h THR 243 N 1.06 0.12 0.00 1.81 1.35 -1.49 -2.43 112.91 113.33 3a9i h THR 243 Ca 0.34 -0.37 -0.34 0.00 -0.55 0.00 0.00 66.41 65.48 3a9i h THR 243 Cb 0.02 1.32 -0.06 0.00 -1.73 0.00 0.00 68.15 67.71 3a9i h THR 243 CO -0.10 0.03 -2.30 0.18 -0.25 0.00 0.00 175.52 173.08 3a9i n LEU 244 N -3.19 1.22 -3.18 3.87 4.77 -0.51 -4.77 117.00 115.20 3a9i n LEU 244 Ca -0.01 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 3a9i n LEU 244 Cb 0.22 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3a9i n LEU 244 CO 0.26 0.64 -0.20 0.00 -1.33 0.00 0.00 177.39 176.75 3a9i n GLN 245 N -2.89 1.17 -0.25 3.23 6.02 0.47 -5.00 117.38 120.13 3a9i n GLN 245 Ca -0.35 -3.53 -0.07 0.00 -0.01 0.00 0.00 57.00 53.04 3a9i n GLN 245 Cb 1.04 -1.62 0.06 0.00 1.02 0.00 0.00 30.24 30.73 3a9i n GLN 245 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3a9i h PRO 246 N 3.39 1.13 -0.31 -1.09 0.13 -1.64 -1.67 132.00 131.94 3a9i h PRO 246 Ca 0.10 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 3a9i h PRO 246 Cb 0.88 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3a9i h PRO 246 CO 0.53 0.99 0.08 1.49 -0.23 0.00 0.00 178.00 180.86 3a9i h GLU 247 N 1.07 0.48 0.27 0.86 4.81 -1.95 -1.05 114.58 119.08 3a9i h GLU 247 Ca 0.22 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3a9i h GLU 247 Cb 0.36 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3a9i h GLU 247 CO 0.00 0.55 -0.22 -0.92 -0.73 0.00 0.00 179.01 177.68 3a9i h TYR 248 N 0.33 -0.59 -0.57 0.92 3.20 -1.93 -1.02 116.97 117.32 3a9i h TYR 248 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3a9i h TYR 248 Cb 0.27 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 3a9i h TYR 248 CO 0.01 -0.34 0.37 0.28 -1.64 0.00 0.00 178.16 176.84 3a9i h VAL 249 N -0.51 1.15 -0.03 1.81 2.07 -1.26 -1.53 116.25 117.96 3a9i h VAL 249 Ca -0.02 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 3a9i h VAL 249 Cb 0.45 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3a9i h VAL 249 CO -0.02 0.15 -0.54 -0.09 0.02 0.00 0.00 177.57 177.10 3a9i h ARG 250 N 0.77 0.08 -0.12 1.57 2.43 -1.13 -2.34 114.38 115.64 3a9i h ARG 250 Ca 0.21 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3a9i h ARG 250 Cb -0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3a9i h ARG 250 CO -0.04 0.60 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.90 3a9i h ARG 251 N 0.06 0.23 0.00 0.20 2.43 -0.91 -3.35 114.38 113.05 3a9i h ARG 251 Ca -0.00 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 3a9i h ARG 251 Cb 0.97 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3a9i h ARG 251 CO 0.07 0.53 -0.67 1.57 -1.51 0.00 0.00 179.97 179.96 3a9i h LYS 252 N -0.08 0.00 -5.98 0.20 2.10 -1.13 -3.46 116.57 108.22 3a9i h LYS 252 Ca 0.03 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.12 3a9i h LYS 252 Cb 0.44 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.52 3a9i h LYS 252 CO 0.01 0.67 -0.83 0.71 -2.00 0.00 0.00 179.45 178.01 3a9i s TYR 253 N -3.02 1.72 -1.36 0.07 2.02 -0.90 -4.63 117.35 111.26 3a9i s TYR 253 Ca 0.02 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.19 3a9i s TYR 253 Cb 0.09 -1.01 0.07 0.00 -0.40 0.00 0.00 41.96 40.71 3a9i s TYR 253 CO 0.76 0.10 1.94 1.63 -1.57 0.00 0.00 175.55 178.41 3a9i n LYS 254 N 1.76 3.08 0.05 -0.62 5.02 -0.04 -4.66 118.16 122.76 3a9i n LYS 254 Ca -0.18 -3.03 0.12 0.00 -2.02 0.00 0.00 58.31 53.21 3a9i n LYS 254 Cb 0.54 -3.35 0.59 0.00 -0.02 0.00 0.00 35.03 32.78 3a9i n LYS 254 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3a9i h LEU 255 N 11.04 0.16 0.00 -0.35 3.38 -1.86 -0.77 115.31 126.93 3a9i h LEU 255 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3a9i h LEU 255 Cb 0.76 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3a9i h LEU 255 CO 1.64 0.10 0.00 -1.84 0.09 0.00 0.00 178.44 178.44 3a9i n GLU 256 N -4.46 0.01 -0.04 1.13 0.00 -1.16 -1.69 120.64 114.43 3a9i n GLU 256 Ca 0.05 0.34 0.12 0.00 0.00 0.00 0.00 57.16 57.68 3a9i n GLU 256 Cb 0.33 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.44 3a9i n GLU 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3a9i n MET 257 N -1.47 2.29 -0.23 3.44 0.00 -0.29 -3.98 117.12 116.88 3a9i n MET 257 Ca 0.02 -1.89 0.03 0.00 0.00 0.00 0.00 57.70 55.86 3a9i n MET 257 Cb 0.09 -1.47 0.12 0.00 0.00 0.00 0.00 33.22 31.96 3a9i n MET 257 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3a9i h LEU 258 N 4.36 -0.29 -1.43 3.17 5.85 -1.47 -1.00 115.31 124.49 3a9i h LEU 258 Ca 0.00 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3a9i h LEU 258 Cb 0.93 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3a9i h LEU 258 CO 0.00 -0.14 0.39 -0.65 -0.34 0.00 0.00 178.44 177.70 3a9i h PRO 259 N 0.12 0.75 -0.73 5.25 0.11 -1.79 -1.14 132.00 134.57 3a9i h PRO 259 Ca 0.36 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 3a9i h PRO 259 Cb 0.60 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3a9i h PRO 259 CO -0.58 0.50 0.35 0.93 -0.21 0.00 0.00 178.00 178.99 3a9i h GLU 260 N 0.77 1.04 -0.02 1.05 5.08 -1.51 -0.65 114.58 120.35 3a9i h GLU 260 Ca 0.22 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3a9i h GLU 260 Cb -0.06 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 3a9i h GLU 260 CO -0.05 0.81 0.00 -0.07 -1.00 0.00 0.00 179.01 178.71 3a9i h LEU 261 N 1.01 0.03 -0.32 1.33 3.38 -0.85 -0.87 115.31 119.02 3a9i h LEU 261 Ca 0.25 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a9i h LEU 261 Cb 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3a9i h LEU 261 CO -0.03 0.30 0.11 0.44 0.09 0.00 0.00 178.44 179.35 3a9i h ASP 262 N -0.24 0.11 -0.79 -0.43 3.32 -1.21 -2.45 116.42 114.74 3a9i h ASP 262 Ca 0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3a9i h ASP 262 Cb 0.29 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3a9i h ASP 262 CO 0.00 0.10 0.42 0.03 -1.72 0.00 0.00 179.24 178.07 3a9i h ARG 263 N 0.25 1.10 -0.03 3.56 3.08 -1.08 -1.13 114.38 120.13 3a9i h ARG 263 Ca 0.15 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3a9i h ARG 263 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3a9i h ARG 263 CO -0.15 0.82 -0.06 1.98 -1.07 0.00 0.00 179.97 181.49 3a9i h MET 264 N 1.09 -0.10 -0.24 0.04 4.05 -0.94 -0.54 114.93 118.30 3a9i h MET 264 Ca 0.27 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.60 3a9i h MET 264 Cb 0.05 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 3a9i h MET 264 CO -0.04 -0.07 -0.23 0.28 0.23 0.00 0.00 176.91 177.08 3a9i h VAL 265 N -0.10 1.32 -0.55 -5.77 2.07 -1.35 -2.10 116.25 109.77 3a9i h VAL 265 Ca 0.04 -1.40 0.11 0.00 0.82 0.00 0.00 66.70 66.27 3a9i h VAL 265 Cb 0.15 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3a9i h VAL 265 CO -0.09 0.43 0.05 0.00 0.02 0.00 0.00 177.57 177.99 3a9i h ALA 266 N 0.67 0.58 -0.50 1.67 0.00 -1.13 -0.32 119.26 120.23 3a9i h ALA 266 Ca 0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a9i h ALA 266 Cb 0.79 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3a9i h ALA 266 CO 0.06 -0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.19 3a9i h ARG 267 N 0.17 0.72 -0.59 0.00 3.08 -1.00 -0.76 114.38 116.00 3a9i h ARG 267 Ca 0.28 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3a9i h ARG 267 Cb 0.43 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3a9i h ARG 267 CO -0.42 0.60 0.18 0.52 -1.07 0.00 0.00 179.97 179.79 3a9i h MET 268 N 0.66 0.91 -0.01 0.04 2.86 -0.68 -3.06 114.93 115.65 3a9i h MET 268 Ca 0.17 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3a9i h MET 268 Cb 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3a9i h MET 268 CO -0.02 0.81 -0.27 1.33 1.06 0.00 0.00 176.91 179.82 3a9i n VAL 269 N -4.42 0.00 -2.92 -2.22 0.24 -0.20 -4.83 118.33 103.98 3a9i n VAL 269 Ca 0.03 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 3a9i n VAL 269 Cb 0.21 0.62 0.04 0.00 -1.47 0.00 0.00 33.84 33.23 3a9i n VAL 269 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a9i n GLY 270 N 1.34 0.25 3.58 7.63 0.00 -0.36 -4.74 105.19 112.90 3a9i n GLY 270 Ca 0.12 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3a9i n GLY 270 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a9i s VAL 271 N -3.14 2.75 0.11 1.61 -7.23 -0.76 -5.05 120.40 108.67 3a9i s VAL 271 Ca 0.21 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 3a9i s VAL 271 Cb -0.09 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 3a9i s VAL 271 CO 0.32 -0.29 0.53 -1.61 -0.31 0.00 0.00 175.10 173.74 3a9i s GLU 272 N -3.64 4.03 0.10 4.82 0.41 -1.26 -4.46 118.70 118.70 3a9i s GLU 272 Ca 0.33 0.55 -0.31 0.00 -0.41 0.00 0.00 54.97 55.12 3a9i s GLU 272 Cb -0.03 -3.06 -0.11 0.00 -1.78 0.00 0.00 34.13 29.16 3a9i s GLU 272 CO 0.18 0.55 1.86 -0.89 -0.49 0.00 0.00 175.26 176.47 3a9i n ILE 273 N 1.20 0.43 -1.53 -1.63 5.41 -1.26 -4.90 119.36 117.07 3a9i n ILE 273 Ca -0.08 -0.08 -0.45 0.00 1.00 0.00 0.00 62.75 63.15 3a9i n ILE 273 Cb 0.52 -2.13 -0.01 0.00 -0.71 0.00 0.00 39.64 37.31 3a9i n ILE 273 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3a9i n PRO 274 N 5.91 0.92 -0.15 0.38 -0.02 -1.26 -4.82 135.00 135.96 3a9i n PRO 274 Ca 0.19 0.33 0.22 0.00 -2.02 0.00 0.00 63.50 62.21 3a9i n PRO 274 Cb 0.37 -1.61 0.63 0.00 -0.02 0.00 0.00 33.50 32.88 3a9i n PRO 274 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3a9i h PHE 275 N 1.56 0.21 -0.24 6.00 -5.15 -1.96 -0.87 116.94 116.49 3a9i h PHE 275 Ca -0.37 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.40 3a9i h PHE 275 Cb 1.37 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.48 3a9i h PHE 275 CO 0.44 0.06 0.00 0.27 -2.00 0.00 0.00 178.31 177.08 3a9i n ASN 276 N -4.39 3.44 -4.71 -0.68 6.94 -1.26 -1.29 115.26 113.31 3a9i n ASN 276 Ca 0.16 -2.78 -0.43 0.00 -0.02 0.00 0.00 54.58 51.52 3a9i n ASN 276 Cb 0.75 -0.45 -0.01 0.00 -2.36 0.00 0.00 39.78 37.72 3a9i n ASN 276 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3a9i n ASN 277 N -0.41 2.96 -4.62 0.53 2.85 -0.33 -4.82 115.26 111.42 3a9i n ASN 277 Ca 0.18 1.19 -0.52 0.00 -0.11 0.00 0.00 54.58 55.32 3a9i n ASN 277 Cb 0.74 -1.50 -0.06 0.00 1.24 0.00 0.00 39.78 40.21 3a9i n ASN 277 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3a9i n TYR 278 N 0.80 1.74 0.00 1.20 4.01 -1.26 -1.04 117.16 122.61 3a9i n TYR 278 Ca 0.06 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.34 3a9i n TYR 278 Cb 0.35 -2.40 0.00 0.00 -0.31 0.00 0.00 39.34 36.99 3a9i n TYR 278 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3a9i n ILE 279 N 3.08 0.00 0.94 -0.72 5.41 -1.26 -4.10 119.36 122.71 3a9i n ILE 279 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 62.75 64.05 3a9i n ILE 279 Cb 0.20 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.06 3a9i n ILE 279 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3a9i n THR 280 N 0.00 0.01 -1.94 1.39 -2.24 -1.21 -4.78 114.28 105.50 3a9i n THR 280 Ca 0.00 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 3a9i n THR 280 Cb 0.00 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 3a9i n THR 280 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a9i s GLY 281 N -3.09 2.77 0.31 3.38 0.00 -0.21 -4.93 107.32 105.55 3a9i s GLY 281 Ca 0.07 1.07 0.08 0.00 0.00 0.00 0.00 44.72 45.94 3a9i s GLY 281 CO 0.85 1.47 1.72 -2.09 0.00 0.00 0.00 173.10 175.04 3a9i h GLU 282 N 0.79 0.50 -0.46 2.90 4.81 -1.60 -2.57 114.58 118.95 3a9i h GLU 282 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3a9i h GLU 282 Cb 1.31 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3a9i h GLU 282 CO 0.55 0.33 0.00 0.25 -0.73 0.00 0.00 179.01 179.40 3a9i n THR 283 N -4.94 1.62 0.20 0.32 -2.24 -0.42 -4.66 114.28 104.16 3a9i n THR 283 Ca 0.26 -1.28 0.12 0.00 -2.27 0.00 0.00 64.05 60.87 3a9i n THR 283 Cb 0.73 0.19 0.69 0.00 -2.10 0.00 0.00 70.33 69.83 3a9i n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a9i h ALA 284 N 2.88 2.06 -0.02 6.98 0.00 -1.65 -2.82 119.26 126.69 3a9i h ALA 284 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a9i h ALA 284 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a9i h ALA 284 CO 0.14 -0.16 0.00 1.19 0.00 0.00 0.00 179.25 180.42 3a9i n PHE 285 N -4.39 0.01 -3.71 0.00 3.72 -1.26 -4.86 117.46 106.97 3a9i n PHE 285 Ca 0.00 -0.03 -0.22 0.00 -0.05 0.00 0.00 57.45 57.14 3a9i n PHE 285 Cb 0.22 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 3a9i n PHE 285 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3a9i s SER 286 N -0.45 4.86 0.26 4.37 1.04 -1.07 -5.11 113.70 117.62 3a9i s SER 286 Ca 0.06 -0.90 -0.10 0.00 0.48 0.00 0.00 55.95 55.48 3a9i s SER 286 Cb 0.04 -0.34 -0.00 0.00 0.10 0.00 0.00 66.02 65.82 3a9i s SER 286 CO 0.06 -0.74 0.46 -1.38 0.98 0.00 0.00 173.24 172.63 3a9i s HIS 287 N -2.56 0.52 -0.09 5.02 -3.43 -1.26 -5.02 115.29 108.47 3a9i s HIS 287 Ca 0.45 -0.86 -0.29 0.00 -0.80 0.00 0.00 55.06 53.55 3a9i s HIS 287 Cb -0.02 0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 3a9i s HIS 287 CO 0.26 -1.01 1.69 0.21 -2.00 0.00 0.00 174.74 173.89 3a9i s LYS 288 N -3.81 4.04 0.07 -0.38 2.47 -1.26 -4.93 119.74 115.94 3a9i s LYS 288 Ca 0.25 2.09 -0.35 0.00 -1.56 0.00 0.00 55.97 56.40 3a9i s LYS 288 Cb -0.00 -4.03 -0.14 0.00 -1.46 0.00 0.00 37.83 32.20 3a9i s LYS 288 CO 0.11 -1.02 1.63 0.00 0.16 0.00 0.00 175.35 176.23 3a9i n ALA 289 N 7.68 0.86 0.00 3.13 0.00 -1.26 -1.68 120.51 129.25 3a9i n ALA 289 Ca 0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3a9i n ALA 289 Cb 0.43 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3a9i n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a9i n GLY 290 N 3.58 1.18 0.40 0.00 0.00 -1.26 -4.91 105.19 104.18 3a9i n GLY 290 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3a9i n GLY 290 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a9i n MET 291 N -2.00 1.18 -2.72 1.61 2.81 -0.68 -4.57 117.12 112.76 3a9i n MET 291 Ca 0.00 -0.80 -0.43 0.00 -1.81 0.00 0.00 57.70 54.66 3a9i n MET 291 Cb 0.00 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.02 3a9i n MET 291 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3a9i s HIS 292 N -2.37 3.04 -0.09 2.03 2.46 -1.26 -4.96 115.29 114.13 3a9i s HIS 292 Ca 0.26 -1.77 -0.06 0.00 0.47 0.00 0.00 55.06 53.95 3a9i s HIS 292 Cb 0.19 -4.59 -0.04 0.00 -0.13 0.00 0.00 32.58 28.02 3a9i s HIS 292 CO 0.48 -1.66 0.15 -0.51 -2.47 0.00 0.00 174.74 170.73 3a9i s LEU 293 N 3.28 4.38 0.61 8.88 1.43 -1.26 -4.98 118.68 131.01 3a9i s LEU 293 Ca 0.49 0.44 0.34 0.00 -1.03 0.00 0.00 54.13 54.37 3a9i s LEU 293 Cb 0.01 -2.19 1.96 0.00 0.03 0.00 0.00 46.19 46.00 3a9i s LEU 293 CO 0.04 0.38 2.27 0.11 0.23 0.00 0.00 176.35 179.38 3a9i h LYS 294 N 4.72 0.00 0.00 1.70 1.57 -1.94 0.20 116.57 122.83 3a9i h LYS 294 Ca -0.54 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.18 3a9i h LYS 294 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3a9i h LYS 294 CO 0.60 0.01 -0.28 0.00 -0.57 0.00 0.00 179.45 179.21 3a9i h ALA 295 N 1.99 1.17 0.00 3.86 0.00 -1.99 -3.36 119.26 120.94 3a9i h ALA 295 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3a9i h ALA 295 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a9i h ALA 295 CO 0.00 0.35 -0.98 -0.89 0.00 0.00 0.00 179.25 177.73 3a9i n ILE 296 N -3.68 1.47 -4.35 0.00 5.41 0.56 -4.98 119.36 113.80 3a9i n ILE 296 Ca -0.01 0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.49 3a9i n ILE 296 Cb 0.40 -2.25 -0.09 0.00 -0.71 0.00 0.00 39.64 36.99 3a9i n ILE 296 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3a9i s TYR 297 N -2.41 3.06 -0.02 1.39 2.02 -0.32 -5.02 117.35 116.05 3a9i s TYR 297 Ca -0.23 0.09 -0.25 0.00 -0.37 0.00 0.00 57.07 56.30 3a9i s TYR 297 Cb 0.05 -1.69 -0.20 0.00 -0.40 0.00 0.00 41.96 39.71 3a9i s TYR 297 CO 0.38 0.44 1.25 0.82 -1.57 0.00 0.00 175.55 176.87 3a9i h ILE 298 N 3.74 1.40 -2.86 2.71 2.04 -1.88 -3.41 117.51 119.25 3a9i h ILE 298 Ca -0.49 -1.22 -0.55 0.00 1.00 0.00 0.00 64.86 63.60 3a9i h ILE 298 Cb 1.18 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3a9i h ILE 298 CO 0.56 0.32 0.89 0.21 0.00 0.00 0.00 178.15 180.13 3a9i s ASN 299 N -5.77 6.84 0.60 1.72 3.84 -1.26 -4.91 114.94 116.01 3a9i s ASN 299 Ca -0.16 2.04 0.38 0.00 0.21 0.00 0.00 52.86 55.34 3a9i s ASN 299 Cb 0.02 -2.55 1.89 0.00 -0.55 0.00 0.00 41.25 40.05 3a9i s ASN 299 CO 0.68 -0.76 2.18 1.55 -2.79 0.00 0.00 177.10 177.96 3a9i h PRO 300 N 8.22 0.00 -6.00 0.43 0.13 -1.98 -3.42 132.00 129.37 3a9i h PRO 300 Ca -0.36 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.16 3a9i h PRO 300 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3a9i h PRO 300 CO 0.92 0.01 -0.28 -2.00 -0.23 0.00 0.00 178.00 176.43 3a9i s GLU 301 N -3.95 3.75 0.04 0.86 2.56 -1.26 -5.00 118.70 115.70 3a9i s GLU 301 Ca -0.02 0.17 -0.30 0.00 0.00 0.00 0.00 54.97 54.82 3a9i s GLU 301 Cb 0.11 -3.10 -0.08 0.00 2.00 0.00 0.00 34.13 33.07 3a9i s GLU 301 CO 0.48 0.64 1.71 0.00 -0.56 0.00 0.00 175.26 177.53 3a9i s ALA 302 N -1.25 3.66 0.65 6.30 0.00 -1.26 -4.97 121.76 124.89 3a9i s ALA 302 Ca 0.28 1.18 -0.18 0.00 0.00 0.00 0.00 51.96 53.24 3a9i s ALA 302 Cb -0.14 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.23 3a9i s ALA 302 CO 0.15 -1.24 1.24 0.66 0.00 0.00 0.00 175.76 176.57 3a9i n TYR 303 N 6.21 1.73 -3.55 0.00 4.01 -1.26 -5.04 117.16 119.26 3a9i n TYR 303 Ca 0.17 0.42 -0.26 0.00 -0.16 0.00 0.00 57.90 58.06 3a9i n TYR 303 Cb 0.41 -2.24 -0.15 0.00 -0.31 0.00 0.00 39.34 37.05 3a9i n TYR 303 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3a9i s GLU 304 N -3.33 0.16 0.34 -0.72 2.12 -1.26 -5.04 118.70 110.98 3a9i s GLU 304 Ca 0.82 -0.32 0.07 0.00 0.36 0.00 0.00 54.97 55.90 3a9i s GLU 304 Cb -0.38 -1.32 0.62 0.00 0.26 0.00 0.00 34.13 33.31 3a9i s GLU 304 CO 0.42 -0.89 1.83 -1.00 -0.54 0.00 0.00 175.26 175.07 3a9i h PRO 305 N 8.39 0.31 -3.00 4.30 0.13 -1.98 -3.45 132.00 136.70 3a9i h PRO 305 Ca -0.18 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3a9i h PRO 305 Cb 1.07 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.04 3a9i h PRO 305 CO 0.38 0.50 0.19 1.52 -0.23 0.00 0.00 178.00 180.36 3a9i s TYR 306 N -4.58 -0.52 0.05 1.56 1.13 -1.26 -4.91 117.35 108.83 3a9i s TYR 306 Ca -0.06 0.33 -0.23 0.00 -1.41 0.00 0.00 57.07 55.70 3a9i s TYR 306 Cb 0.15 0.54 -0.06 0.00 -1.10 0.00 0.00 41.96 41.49 3a9i s TYR 306 CO 0.75 -0.84 0.70 -1.25 -2.51 0.00 0.00 175.55 172.41 3a9i s PRO 307 N -3.68 4.43 0.28 -3.49 0.04 -1.26 -4.97 135.00 126.34 3a9i s PRO 307 Ca 0.01 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 61.98 3a9i s PRO 307 Cb -0.01 -3.33 0.40 0.00 0.04 0.00 0.00 34.50 31.61 3a9i s PRO 307 CO -0.12 0.39 1.92 -1.00 0.04 0.00 0.00 177.00 178.23 3a9i h PRO 308 N 5.33 1.15 0.00 0.56 0.13 -1.92 -2.64 132.00 134.61 3a9i h PRO 308 Ca -0.45 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 3a9i h PRO 308 Cb 1.20 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 3a9i h PRO 308 CO 0.69 0.76 -0.11 0.93 -0.23 0.00 0.00 178.00 180.04 3a9i h GLU 309 N 1.19 0.00 -0.57 0.86 3.07 -1.87 -0.56 114.58 116.70 3a9i h GLU 309 Ca 0.38 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.28 3a9i h GLU 309 Cb 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3a9i h GLU 309 CO -0.12 0.11 0.38 0.28 -1.40 0.00 0.00 179.01 178.26 3a9i h VAL 310 N 0.00 1.05 -0.66 3.13 2.07 -1.79 -1.29 116.25 118.76 3a9i h VAL 310 Ca -0.00 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 3a9i h VAL 310 Cb 0.28 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 3a9i h VAL 310 CO 0.01 0.12 0.18 0.49 0.02 0.00 0.00 177.57 178.39 3a9i n PHE 311 N -4.47 2.25 -1.69 1.57 3.72 -0.32 -3.01 117.46 115.51 3a9i n PHE 311 Ca 0.07 -1.07 -0.15 0.00 -0.05 0.00 0.00 57.45 56.25 3a9i n PHE 311 Cb 0.16 -0.62 -0.05 0.00 -0.94 0.00 0.00 39.48 38.03 3a9i n PHE 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a9i n GLY 312 N 0.01 0.98 3.73 1.37 0.00 -0.49 -4.24 105.19 106.56 3a9i n GLY 312 Ca 0.36 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3a9i n GLY 312 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a9i s VAL 313 N -2.61 5.16 -1.28 1.61 1.01 -0.59 -4.88 120.40 118.82 3a9i s VAL 313 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3a9i s VAL 313 Cb 0.00 -3.31 0.13 0.00 0.00 0.00 0.00 36.38 33.20 3a9i s VAL 313 CO 0.00 0.50 1.73 0.29 0.00 0.00 0.00 175.10 177.62 3a9i n LYS 314 N 3.07 3.33 -1.41 2.72 5.02 -1.26 -3.10 118.16 126.53 3a9i n LYS 314 Ca -0.17 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.65 3a9i n LYS 314 Cb 0.53 -3.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 3a9i n LYS 314 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a9i n GLY 337 N 4.02 -2.62 3.74 0.72 0.00 -1.26 -4.85 105.19 104.93 3a9i n GLY 337 Ca 0.42 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3a9i n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a9i s LEU 338 N -3.44 1.60 0.15 0.99 2.01 -1.26 -5.10 118.68 113.64 3a9i s LEU 338 Ca 0.00 0.61 0.06 0.00 0.01 0.00 0.00 54.13 54.81 3a9i s LEU 338 Cb 0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 46.19 43.58 3a9i s LEU 338 CO 0.00 -3.35 -0.13 -1.38 1.01 0.00 0.00 176.35 172.50 3a9i s HIS 339 N -3.32 1.46 0.07 0.29 -3.43 -1.26 -5.16 115.29 103.94 3a9i s HIS 339 Ca 0.70 -0.61 0.06 0.00 -0.80 0.00 0.00 55.06 54.41 3a9i s HIS 339 Cb -0.09 -0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 30.30 3a9i s HIS 339 CO 0.55 0.19 -0.17 0.71 -2.00 0.00 0.00 174.74 174.02 3a9i s TYR 340 N -2.67 1.47 0.00 0.38 2.02 -1.26 -4.78 117.35 112.50 3a9i s TYR 340 Ca 0.15 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3a9i s TYR 340 Cb -0.02 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3a9i s TYR 340 CO 0.03 0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 3a9i n GLY 341 N 1.49 0.72 0.30 0.71 0.00 -1.26 -4.99 105.19 102.16 3a9i n GLY 341 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 3a9i n GLY 341 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a9i h GLU 342 N 3.45 0.95 -0.44 1.61 4.57 -1.99 -0.33 114.58 122.41 3a9i h GLU 342 Ca 0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3a9i h GLU 342 Cb 0.00 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3a9i h GLU 342 CO 0.00 0.96 0.29 0.93 -1.18 0.00 0.00 179.01 180.00 3a9i h GLU 343 N 0.87 0.58 -0.30 1.92 4.39 -1.98 -0.39 114.58 119.68 3a9i h GLU 343 Ca 0.15 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 3a9i h GLU 343 Cb 0.56 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3a9i h GLU 343 CO 0.03 0.39 -0.32 0.93 -1.16 0.00 0.00 179.01 178.89 3a9i h GLU 344 N 0.59 0.63 -0.38 2.33 4.39 -1.93 -1.07 114.58 119.15 3a9i h GLU 344 Ca 0.16 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3a9i h GLU 344 Cb -0.06 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3a9i h GLU 344 CO -0.03 0.87 0.22 1.25 -1.16 0.00 0.00 179.01 180.15 3a9i h LEU 345 N 0.54 0.46 0.02 1.33 5.85 -0.84 0.20 115.31 122.87 3a9i h LEU 345 Ca 0.06 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3a9i h LEU 345 Cb 0.81 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3a9i h LEU 345 CO 0.07 0.40 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.69 3a9i h HIS 346 N 0.49 -0.36 -0.13 1.25 2.76 -0.88 -0.73 115.15 117.55 3a9i h HIS 346 Ca 0.13 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3a9i h HIS 346 Cb 0.04 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3a9i h HIS 346 CO -0.03 -0.21 0.07 -0.09 -1.30 0.00 0.00 177.93 176.37 3a9i h ARG 347 N -0.24 0.14 0.02 5.26 2.43 -0.87 -1.90 114.38 119.22 3a9i h ARG 347 Ca 0.04 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a9i h ARG 347 Cb 0.29 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3a9i h ARG 347 CO -0.12 0.09 -0.01 0.28 -1.51 0.00 0.00 179.97 178.70 3a9i h VAL 348 N 0.14 1.02 -0.66 0.20 2.07 -0.53 -0.76 116.25 117.74 3a9i h VAL 348 Ca 0.05 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3a9i h VAL 348 Cb 0.01 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3a9i h VAL 348 CO -0.03 0.03 0.34 0.71 0.02 0.00 0.00 177.57 178.63 3a9i h THR 349 N -0.08 1.22 -0.77 2.57 1.35 -1.13 -0.84 112.91 115.23 3a9i h THR 349 Ca -0.00 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 3a9i h THR 349 Cb 0.07 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 66.85 3a9i h THR 349 CO 0.00 0.24 0.42 1.56 -0.25 0.00 0.00 175.52 177.50 3a9i h GLN 350 N 0.90 1.07 -0.29 4.72 1.08 -1.24 -0.86 115.11 120.49 3a9i h GLN 350 Ca 0.23 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3a9i h GLN 350 Cb 0.08 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3a9i h GLN 350 CO -0.03 0.79 -0.08 1.25 -0.95 0.00 0.00 178.83 179.81 3a9i h HIS 351 N 1.06 0.64 -0.48 2.96 2.76 -0.88 -0.24 115.15 120.97 3a9i h HIS 351 Ca 0.27 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3a9i h HIS 351 Cb 0.03 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3a9i h HIS 351 CO 0.00 0.77 0.19 0.82 -1.30 0.00 0.00 177.93 178.41 3a9i h ILE 352 N 0.32 1.21 -0.89 6.26 2.04 -1.07 -1.38 117.51 124.00 3a9i h ILE 352 Ca 0.07 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3a9i h ILE 352 Cb 0.57 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3a9i h ILE 352 CO 0.03 0.25 0.55 0.50 0.00 0.00 0.00 178.15 179.48 3a9i h LYS 353 N 0.64 1.21 -0.32 2.37 1.63 -1.05 -1.33 116.57 119.72 3a9i h LYS 353 Ca 0.16 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3a9i h LYS 353 Cb 0.20 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3a9i h LYS 353 CO -0.01 0.83 0.10 0.00 -3.45 0.00 0.00 179.45 176.92 3a9i h ALA 354 N 1.30 0.42 -0.48 5.00 0.00 -0.58 -1.02 119.26 123.89 3a9i h ALA 354 Ca 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3a9i h ALA 354 Cb -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3a9i h ALA 354 CO -0.06 0.06 0.27 -0.07 0.00 0.00 0.00 179.25 179.45 3a9i h LEU 355 N 0.36 0.42 -0.44 0.00 3.38 -1.11 -1.87 115.31 116.05 3a9i h LEU 355 Ca 0.10 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3a9i h LEU 355 Cb 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3a9i h LEU 355 CO -0.00 0.29 0.25 0.00 0.09 0.00 0.00 178.44 179.06 3a9i h ALA 356 N 1.24 0.56 0.00 1.53 0.00 -0.85 0.43 119.26 122.17 3a9i h ALA 356 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3a9i h ALA 356 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a9i h ALA 356 CO -0.12 -0.09 -0.02 -0.44 0.00 0.00 0.00 179.25 178.59 3a9i h ASP 357 N 0.49 0.00 0.36 0.00 3.32 -0.91 -1.60 116.42 118.08 3a9i h ASP 357 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3a9i h ASP 357 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3a9i h ASP 357 CO -0.11 0.02 -0.15 0.54 -1.72 0.00 0.00 179.24 177.83 3a9i n ARG 358 N -3.12 0.68 -1.97 3.56 1.74 -0.73 -4.94 116.66 111.88 3a9i n ARG 358 Ca 0.01 -0.27 -0.11 0.00 -0.77 0.00 0.00 57.85 56.71 3a9i n ARG 358 Cb 0.33 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3a9i n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a9i n GLY 359 N 1.30 0.26 0.33 -0.13 0.00 -0.60 -4.94 105.19 101.41 3a9i n GLY 359 Ca 0.13 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3a9i n GLY 359 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a9i n GLN 360 N -2.19 2.72 -2.75 1.61 6.02 0.09 -4.95 117.38 117.94 3a9i n GLN 360 Ca -0.12 -1.98 -0.42 0.00 -0.01 0.00 0.00 57.00 54.47 3a9i n GLN 360 Cb 0.53 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.51 3a9i n GLN 360 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3a9i s LEU 361 N -1.45 4.01 0.37 1.08 2.96 -1.15 -4.85 118.68 119.65 3a9i s LEU 361 Ca 0.17 -0.94 0.07 0.00 -0.22 0.00 0.00 54.13 53.21 3a9i s LEU 361 Cb 0.12 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 3a9i s LEU 361 CO 0.07 -1.54 0.41 0.42 -1.32 0.00 0.00 176.35 174.39 3a9i s THR 362 N 4.52 3.38 0.32 3.68 -4.23 -1.26 -4.96 115.64 117.09 3a9i s THR 362 Ca 0.28 -1.19 -0.00 0.00 -1.18 0.00 0.00 61.69 59.60 3a9i s THR 362 Cb -0.12 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.81 3a9i s THR 362 CO 0.09 -0.10 1.99 -0.07 -0.54 0.00 0.00 174.62 175.99 3a9i h LEU 363 N 0.99 0.85 -0.67 4.79 3.38 -1.99 -0.90 115.31 121.76 3a9i h LEU 363 Ca -0.43 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3a9i h LEU 363 Cb 1.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3a9i h LEU 363 CO 0.54 0.62 0.41 -0.33 0.09 0.00 0.00 178.44 179.77 3a9i h GLU 364 N 1.01 0.91 -0.18 1.13 3.07 -1.99 -0.29 114.58 118.24 3a9i h GLU 364 Ca 0.28 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 3a9i h GLU 364 Cb -0.11 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 3a9i h GLU 364 CO -0.06 0.64 0.04 0.93 -1.40 0.00 0.00 179.01 179.16 3a9i h GLU 365 N 0.91 0.29 -0.70 2.33 4.39 -1.79 -2.21 114.58 117.81 3a9i h GLU 365 Ca 0.24 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3a9i h GLU 365 Cb -0.04 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3a9i h GLU 365 CO -0.05 0.44 0.44 -0.07 -1.16 0.00 0.00 179.01 178.62 3a9i h LEU 366 N 0.10 0.83 -0.14 1.33 3.38 -0.96 -1.00 115.31 118.85 3a9i h LEU 366 Ca 0.06 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3a9i h LEU 366 Cb 0.29 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3a9i h LEU 366 CO 0.00 0.63 -0.09 -0.78 0.09 0.00 0.00 178.44 178.29 3a9i h ASP 367 N 0.95 -0.30 0.87 -0.43 3.58 -0.98 -0.64 116.42 119.47 3a9i h ASP 367 Ca 0.25 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.71 3a9i h ASP 367 Cb -0.06 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3a9i h ASP 367 CO -0.05 -0.12 -0.27 0.08 -2.88 0.00 0.00 179.24 175.99 3a9i h ARG 368 N -0.10 0.00 0.04 0.28 0.11 -1.08 0.64 114.38 114.28 3a9i h ARG 368 Ca 0.08 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.92 3a9i h ARG 368 Cb 0.22 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.31 3a9i h ARG 368 CO -0.20 0.27 -1.05 0.82 0.10 0.00 0.00 179.97 179.92 3a9i h ILE 369 N 0.00 1.39 0.00 0.08 2.04 -0.84 -3.40 117.51 116.79 3a9i h ILE 369 Ca -0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 3a9i h ILE 369 Cb 0.78 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3a9i h ILE 369 CO 0.04 0.76 -1.51 0.18 0.00 0.00 0.00 178.15 177.62 3a9i n LEU 370 N -3.72 0.07 -0.35 1.44 4.77 -0.28 -4.59 117.00 114.35 3a9i n LEU 370 Ca -0.08 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.85 3a9i n LEU 370 Cb 0.90 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.16 3a9i n LEU 370 CO 0.53 0.02 1.27 -0.09 -1.33 0.00 0.00 177.39 177.79 3a9i h ARG 371 N 0.00 1.15 0.00 3.23 2.43 -1.07 -0.69 114.38 119.43 3a9i h ARG 371 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3a9i h ARG 371 Cb 0.59 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3a9i h ARG 371 CO 0.00 0.76 0.00 1.05 -1.51 0.00 0.00 179.97 180.27 3a9i h GLU 372 N 1.18 0.00 0.00 0.20 4.11 -1.83 -1.28 114.58 116.97 3a9i h GLU 372 Ca 0.40 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.54 3a9i h GLU 372 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3a9i h GLU 372 CO -0.14 0.00 -1.78 0.91 0.07 0.00 0.00 179.01 178.07 3a9i n TRP 373 N -2.67 0.84 -0.12 2.06 7.02 -0.33 -4.68 117.44 119.56 3a9i n TRP 373 Ca 0.02 0.30 -0.20 0.00 -1.02 0.00 0.00 57.50 56.60 3a9i n TRP 373 Cb 0.29 -1.14 -0.10 0.00 -2.42 0.00 0.00 31.31 27.94 3a9i n TRP 373 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3a9i n ILE 374 N -2.98 1.35 -2.98 -0.99 5.41 -0.84 -5.00 119.36 113.34 3a9i n ILE 374 Ca -0.18 -0.46 -0.26 0.00 1.00 0.00 0.00 62.75 62.84 3a9i n ILE 374 Cb 1.04 -1.49 -0.01 0.00 -0.71 0.00 0.00 39.64 38.47 3a9i n ILE 374 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3a9i s THR 375 N -2.46 4.98 0.00 1.39 -4.23 -0.50 -5.11 115.64 109.71 3a9i s THR 375 Ca -0.33 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3a9i s THR 375 Cb 0.10 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.09 3a9i s THR 375 CO 0.51 -0.68 0.00 0.00 -0.54 0.00 0.00 174.62 173.90