#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuq s HIS 8 N 0.00 3.16 0.47 1.96 3.76 -1.26 -5.09 115.29 118.30 3iuq s HIS 8 Ca 0.00 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 53.94 3iuq s HIS 8 Cb 0.00 -2.31 -0.09 0.00 1.11 0.00 0.00 32.58 31.29 3iuq s HIS 8 CO 0.00 -0.52 0.96 0.71 -0.85 0.00 0.00 174.74 175.04 3iuq s TYR 9 N 1.56 3.39 0.39 1.40 2.02 -1.26 -4.97 117.35 119.87 3iuq s TYR 9 Ca 0.04 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 57.99 3iuq s TYR 9 Cb -0.17 -2.81 -0.10 0.00 -0.40 0.00 0.00 41.96 38.48 3iuq s TYR 9 CO 0.04 -0.24 1.39 -2.14 -1.57 0.00 0.00 175.55 173.03 3iuq s PRO 10 N -3.64 4.04 0.23 -1.71 0.02 -1.26 -4.90 135.00 127.77 3iuq s PRO 10 Ca 0.60 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.69 3iuq s PRO 10 Cb -0.09 -2.88 -0.10 0.00 0.02 0.00 0.00 34.50 31.45 3iuq s PRO 10 CO 0.23 -0.51 1.43 0.08 -0.33 0.00 0.00 177.00 177.90 3iuq s VAL 11 N -1.17 2.78 -0.27 3.83 1.01 -1.26 -4.98 120.40 120.34 3iuq s VAL 11 Ca 0.55 0.64 0.01 0.00 0.00 0.00 0.00 61.98 63.18 3iuq s VAL 11 Cb -0.43 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.60 3iuq s VAL 11 CO 0.56 0.09 -0.08 -0.89 0.00 0.00 0.00 175.10 174.79 3iuq s THR 12 N 0.18 2.47 0.36 3.92 2.01 -1.26 -5.08 115.64 118.23 3iuq s THR 12 Ca 0.60 -1.47 -0.28 0.00 0.31 0.00 0.00 61.69 60.85 3iuq s THR 12 Cb -0.41 -2.40 -0.12 0.00 0.01 0.00 0.00 72.50 69.59 3iuq s THR 12 CO 0.41 0.00 1.39 -1.14 -0.69 0.00 0.00 174.62 174.59 3iuq n ARG 13 N 4.52 2.42 -3.79 4.92 0.63 -1.26 -5.00 116.66 119.09 3iuq n ARG 13 Ca -0.14 0.85 -0.36 0.00 -0.92 0.00 0.00 57.85 57.27 3iuq n ARG 13 Cb 0.43 -2.51 -0.13 0.00 0.45 0.00 0.00 32.46 30.71 3iuq n ARG 13 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3iuq s GLN 14 N -2.00 3.60 0.76 -0.14 -0.21 -1.26 -4.73 119.66 115.67 3iuq s GLN 14 Ca 0.54 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 55.31 3iuq s GLN 14 Cb -0.52 -3.26 0.17 0.00 1.00 0.00 0.00 33.01 30.40 3iuq s GLN 14 CO 0.63 -0.19 1.03 0.41 -2.12 0.00 0.00 175.29 175.05 3iuq n GLY 15 N 4.89 -0.97 0.83 3.09 0.00 0.17 -5.01 105.19 108.19 3iuq n GLY 15 Ca -0.17 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.16 3iuq n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iuq n GLU 16 N -3.14 2.33 -1.70 1.61 -0.58 -1.26 -4.41 120.64 113.49 3iuq n GLU 16 Ca 0.14 -2.03 -0.44 0.00 -0.42 0.00 0.00 57.16 54.41 3iuq n GLU 16 Cb 0.48 -1.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 3iuq n GLU 16 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3iuq n GLN 17 N 0.93 2.39 -3.66 3.49 -0.06 -1.26 -4.92 117.38 114.28 3iuq n GLN 17 Ca 0.14 0.86 -0.22 0.00 -2.00 0.00 0.00 57.00 55.78 3iuq n GLN 17 Cb 0.47 -2.61 -0.18 0.00 -4.06 0.00 0.00 30.24 23.86 3iuq n GLN 17 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3iuq s VAL 18 N 0.39 -0.07 0.12 1.69 1.01 -1.26 -1.15 120.40 121.12 3iuq s VAL 18 Ca 0.70 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.95 3iuq s VAL 18 Cb -0.58 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3iuq s VAL 18 CO 0.44 0.08 0.29 -1.81 0.00 0.00 0.00 175.10 174.10 3iuq s ASP 19 N 2.15 6.38 -0.07 3.32 1.01 0.79 -4.88 116.67 125.38 3iuq s ASP 19 Ca 0.04 0.33 0.05 0.00 0.71 0.00 0.00 52.55 53.68 3iuq s ASP 19 Cb -0.13 -1.98 -0.00 0.00 1.01 0.00 0.00 42.92 41.81 3iuq s ASP 19 CO -0.04 0.08 -0.22 -1.00 0.21 0.00 0.00 175.17 174.19 3iuq s HIS 20 N -1.66 2.26 -0.18 4.23 3.76 -1.26 0.55 115.29 122.99 3iuq s HIS 20 Ca 0.37 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3iuq s HIS 20 Cb -0.12 -1.50 0.05 0.00 1.11 0.00 0.00 32.58 32.12 3iuq s HIS 20 CO 0.28 -0.26 -0.02 0.71 -0.85 0.00 0.00 174.74 174.60 3iuq s TYR 21 N 0.06 1.46 -1.30 1.40 2.02 0.91 -4.82 117.35 117.07 3iuq s TYR 21 Ca -0.08 -1.01 -0.02 0.00 -0.37 0.00 0.00 57.07 55.59 3iuq s TYR 21 Cb -0.15 -1.20 -0.00 0.00 -0.40 0.00 0.00 41.96 40.21 3iuq s TYR 21 CO 0.05 -0.61 0.66 1.19 -1.57 0.00 0.00 175.55 175.27 3iuq n PHE 22 N 4.94 -1.88 -0.31 2.71 3.72 -1.26 -1.03 117.46 124.34 3iuq n PHE 22 Ca -0.10 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 3iuq n PHE 22 Cb 0.47 -4.20 0.00 0.00 -0.94 0.00 0.00 39.48 34.81 3iuq n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iuq n GLY 23 N -1.64 1.50 3.77 1.37 0.00 -1.26 -4.98 105.19 103.95 3iuq n GLY 23 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3iuq n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iuq s GLN 24 N -0.13 4.13 0.10 1.61 0.74 -0.20 -5.08 119.66 120.83 3iuq s GLN 24 Ca 0.00 0.29 -0.13 0.00 0.05 0.00 0.00 55.36 55.56 3iuq s GLN 24 Cb 0.00 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.70 3iuq s GLN 24 CO 0.00 0.39 0.48 0.00 -0.55 0.00 0.00 175.29 175.61 3iuq s ALA 25 N -0.07 3.64 -0.11 1.58 0.00 -1.26 -0.06 121.76 125.49 3iuq s ALA 25 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3iuq s ALA 25 Cb -0.15 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.59 3iuq s ALA 25 CO 0.09 0.49 0.12 0.08 0.00 0.00 0.00 175.76 176.54 3iuq s VAL 26 N -1.36 -0.18 0.28 0.00 1.01 0.19 -4.97 120.40 115.37 3iuq s VAL 26 Ca 0.34 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 3iuq s VAL 26 Cb -0.15 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 3iuq s VAL 26 CO 0.18 0.01 1.01 0.00 0.00 0.00 0.00 175.10 176.30 3iuq s ALA 27 N 2.22 3.33 -0.43 5.51 0.00 -1.26 -0.15 121.76 130.99 3iuq s ALA 27 Ca 0.04 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.79 3iuq s ALA 27 Cb -0.13 -3.26 0.25 0.00 0.00 0.00 0.00 23.12 19.98 3iuq s ALA 27 CO -0.07 0.03 0.54 -3.47 0.00 0.00 0.00 175.76 172.80 3iuq n ASP 28 N 1.15 0.66 0.32 0.00 2.03 -0.30 -4.92 116.55 115.49 3iuq n ASP 28 Ca -0.01 -2.79 0.20 0.00 0.52 0.00 0.00 54.79 52.72 3iuq n ASP 28 Cb 0.47 -0.64 1.07 0.00 -0.72 0.00 0.00 41.12 41.30 3iuq n ASP 28 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iuq h PRO 29 N 4.10 0.00 -0.61 -0.67 0.13 -1.77 -2.21 132.00 130.96 3iuq h PRO 29 Ca 0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.05 3iuq h PRO 29 Cb 0.85 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.87 3iuq h PRO 29 CO 0.51 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 179.13 3iuq n TYR 30 N -3.18 2.03 -0.34 1.56 4.01 -1.26 0.44 117.16 120.43 3iuq n TYR 30 Ca -0.02 -1.22 0.08 0.00 -0.16 0.00 0.00 57.90 56.58 3iuq n TYR 30 Cb 0.17 -0.61 0.27 0.00 -0.31 0.00 0.00 39.34 38.86 3iuq n TYR 30 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3iuq h ARG 31 N 2.26 0.90 0.00 -0.72 9.65 -1.78 -1.40 114.38 123.29 3iuq h ARG 31 Ca 0.22 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3iuq h ARG 31 Cb 2.11 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 30.49 3iuq h ARG 31 CO 0.61 0.60 -0.01 0.11 2.80 0.00 0.00 179.97 184.08 3iuq h TRP 32 N 0.93 0.00 0.00 2.20 5.08 -1.86 -0.41 115.95 121.89 3iuq h TRP 32 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3iuq h TRP 32 Cb 0.52 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.68 3iuq h TRP 32 CO -0.00 0.01 0.00 1.28 -1.28 0.00 0.00 178.44 178.45 3iuq n LEU 33 N -3.36 0.26 0.28 0.11 4.77 -0.53 -2.94 117.00 115.60 3iuq n LEU 33 Ca -0.03 0.54 0.16 0.00 -0.03 0.00 0.00 56.01 56.65 3iuq n LEU 33 Cb 0.09 -0.48 0.84 0.00 -2.33 0.00 0.00 43.42 41.55 3iuq n LEU 33 CO 0.23 -0.20 1.04 -0.33 -1.33 0.00 0.00 177.39 176.80 3iuq h GLU 34 N 0.00 0.00 -4.92 3.23 5.08 -1.19 -3.35 114.58 113.43 3iuq h GLU 34 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 3iuq h GLU 34 Cb 0.45 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.51 3iuq h GLU 34 CO 0.00 0.07 0.72 0.34 -1.00 0.00 0.00 179.01 179.14 3iuq s ASP 35 N -5.90 6.60 0.00 1.42 -1.08 -1.15 -4.68 116.67 111.88 3iuq s ASP 35 Ca -0.03 -2.03 0.09 0.00 -0.52 0.00 0.00 52.55 50.06 3iuq s ASP 35 Cb 0.13 -2.38 0.51 0.00 -1.46 0.00 0.00 42.92 39.72 3iuq s ASP 35 CO 0.54 -1.04 1.00 -0.90 0.52 0.00 0.00 175.17 175.29 3iuq n ASP 36 N 6.35 0.00 -0.02 -0.34 5.75 -1.26 -2.83 116.55 124.20 3iuq n ASP 36 Ca 0.20 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 3iuq n ASP 36 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3iuq n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iuq n ARG 37 N -0.74 -0.60 -2.53 0.11 1.74 -1.26 -4.64 116.66 108.74 3iuq n ARG 37 Ca 0.06 -0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 56.19 3iuq n ARG 37 Cb 0.03 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3iuq n ARG 37 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3iuq s SER 38 N -0.12 6.37 0.30 0.55 1.04 -1.13 -4.87 113.70 115.83 3iuq s SER 38 Ca 0.01 1.96 0.05 0.00 0.48 0.00 0.00 55.95 58.44 3iuq s SER 38 Cb 0.00 -2.56 0.71 0.00 0.10 0.00 0.00 66.02 64.27 3iuq s SER 38 CO 0.01 -0.76 1.79 -0.65 0.98 0.00 0.00 173.24 174.60 3iuq h PRO 39 N 1.67 0.78 -0.12 4.02 0.11 -1.96 -1.46 132.00 135.04 3iuq h PRO 39 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3iuq h PRO 39 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3iuq h PRO 39 CO 0.59 0.52 0.04 1.49 -0.21 0.00 0.00 178.00 180.43 3iuq h GLU 40 N 0.81 0.19 -0.65 1.05 4.81 -1.95 -2.25 114.58 116.60 3iuq h GLU 40 Ca 0.57 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.68 3iuq h GLU 40 Cb 0.83 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 3iuq h GLU 40 CO -0.36 0.33 0.13 1.15 -0.73 0.00 0.00 179.01 179.53 3iuq h THR 41 N 0.02 1.26 0.00 0.32 2.02 -1.63 -0.83 112.91 114.07 3iuq h THR 41 Ca 0.04 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 3iuq h THR 41 Cb 0.22 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3iuq h THR 41 CO -0.00 0.37 -0.28 -0.33 0.37 0.00 0.00 175.52 175.65 3iuq h GLU 42 N 0.98 0.00 0.05 6.66 5.08 -1.28 0.62 114.58 126.69 3iuq h GLU 42 Ca 0.20 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.29 3iuq h GLU 42 Cb 0.40 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.67 3iuq h GLU 42 CO 0.01 0.28 -1.09 0.00 -1.00 0.00 0.00 179.01 177.20 3iuq h ALA 43 N 1.72 0.06 -0.40 3.43 0.00 -0.99 -2.06 119.26 121.03 3iuq h ALA 43 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 3iuq h ALA 43 Cb 0.62 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3iuq h ALA 43 CO 0.04 0.66 0.19 2.35 0.00 0.00 0.00 179.25 182.48 3iuq h TRP 44 N 0.30 0.58 -0.31 0.00 7.01 -0.76 -0.35 115.95 122.43 3iuq h TRP 44 Ca -0.15 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 60.86 3iuq h TRP 44 Cb 1.76 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 28.60 3iuq h TRP 44 CO 0.11 0.49 0.07 0.28 -2.79 0.00 0.00 178.44 176.60 3iuq h VAL 45 N 0.51 0.86 -0.34 2.65 2.07 -0.90 0.71 116.25 121.81 3iuq h VAL 45 Ca 0.14 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3iuq h VAL 45 Cb 0.13 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3iuq h VAL 45 CO -0.02 0.03 0.19 0.50 0.02 0.00 0.00 177.57 178.29 3iuq h LYS 46 N 0.18 0.37 -0.05 1.57 3.64 -0.98 -1.76 116.57 119.54 3iuq h LYS 46 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3iuq h LYS 46 Cb 0.15 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3iuq h LYS 46 CO -0.18 0.24 0.03 0.00 -2.27 0.00 0.00 179.45 177.27 3iuq h ALA 47 N 1.16 0.07 -0.34 5.00 0.00 -0.59 -2.66 119.26 121.90 3iuq h ALA 47 Ca 0.14 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3iuq h ALA 47 Cb 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3iuq h ALA 47 CO -0.08 -0.40 -0.03 1.96 0.00 0.00 0.00 179.25 180.70 3iuq h GLN 48 N 0.01 0.06 -0.09 0.00 1.08 -0.66 0.24 115.11 115.75 3iuq h GLN 48 Ca 0.02 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3iuq h GLN 48 Cb 0.06 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3iuq h GLN 48 CO -0.00 0.04 0.07 -0.91 -0.95 0.00 0.00 178.83 177.08 3iuq h ASN 49 N 0.06 0.00 0.10 1.46 -0.26 -1.25 -1.17 115.58 114.52 3iuq h ASN 49 Ca 0.17 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3iuq h ASN 49 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3iuq h ASN 49 CO -0.31 0.00 -0.05 0.00 -1.06 0.00 0.00 177.43 176.02 3iuq h ALA 50 N 1.94 -0.13 -0.86 -0.83 0.00 -0.60 -0.17 119.26 118.60 3iuq h ALA 50 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iuq h ALA 50 Cb 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3iuq h ALA 50 CO -0.00 -0.39 0.56 0.28 0.00 0.00 0.00 179.25 179.70 3iuq h VAL 51 N -0.50 1.17 -0.13 0.00 2.07 -0.86 -1.02 116.25 116.98 3iuq h VAL 51 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3iuq h VAL 51 Cb 0.41 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3iuq h VAL 51 CO 0.02 0.20 0.03 0.74 0.02 0.00 0.00 177.57 178.59 3iuq h THR 52 N 1.12 1.20 -0.13 2.57 2.02 -1.16 -1.43 112.91 117.09 3iuq h THR 52 Ca 0.33 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 3iuq h THR 52 Cb -0.05 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3iuq h THR 52 CO -0.10 0.18 -0.21 1.56 0.37 0.00 0.00 175.52 177.33 3iuq h GLN 53 N 0.00 0.23 -0.23 6.66 1.08 -0.84 -1.40 115.11 120.62 3iuq h GLN 53 Ca 0.04 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 3iuq h GLN 53 Cb 0.26 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3iuq h GLN 53 CO 0.00 0.43 -0.32 0.22 -0.95 0.00 0.00 178.83 178.21 3iuq h ASP 54 N 0.21 0.48 -0.19 1.46 3.58 -0.96 -1.77 116.42 119.23 3iuq h ASP 54 Ca 0.04 -0.18 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 3iuq h ASP 54 Cb 0.49 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3iuq h ASP 54 CO 0.03 0.78 -0.33 0.22 -2.88 0.00 0.00 179.24 177.06 3iuq h TYR 55 N 0.40 0.69 0.00 0.28 3.20 -0.65 -3.03 116.97 117.87 3iuq h TYR 55 Ca 0.05 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3iuq h TYR 55 Cb 0.76 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 3iuq h TYR 55 CO 0.02 0.98 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.41 3iuq h LEU 56 N 0.21 0.00 -2.11 2.82 3.38 -1.13 -2.30 115.31 116.18 3iuq h LEU 56 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3iuq h LEU 56 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3iuq h LEU 56 CO 0.08 0.05 -0.07 0.00 0.09 0.00 0.00 178.44 178.58 3iuq h ALA 57 N 1.95 1.27 0.00 1.53 0.00 -1.19 -2.00 119.26 120.82 3iuq h ALA 57 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iuq h ALA 57 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iuq h ALA 57 CO 0.01 0.09 0.00 1.96 0.00 0.00 0.00 179.25 181.31 3iuq h GLN 58 N 0.00 0.00 -5.71 0.00 4.20 -1.53 -3.42 115.11 108.65 3iuq h GLN 58 Ca -0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.09 3iuq h GLN 58 Cb 0.25 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.90 3iuq h GLN 58 CO 0.01 0.00 0.58 0.42 -0.67 0.00 0.00 178.83 179.17 3iuq s ILE 59 N -3.34 4.33 0.27 2.54 1.01 -0.75 -4.95 121.20 120.31 3iuq s ILE 59 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3iuq s ILE 59 Cb 0.10 -4.62 0.26 0.00 0.01 0.00 0.00 42.46 38.21 3iuq s ILE 59 CO 0.48 -1.30 1.79 -0.65 0.00 0.00 0.00 174.94 175.26 3iuq h PRO 60 N 9.46 0.74 -0.03 2.79 0.11 -1.88 -2.84 132.00 140.35 3iuq h PRO 60 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3iuq h PRO 60 Cb 1.07 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3iuq h PRO 60 CO 1.14 0.49 0.00 2.48 -0.21 0.00 0.00 178.00 181.90 3iuq n TYR 61 N -4.77 0.03 -0.13 0.65 0.18 -1.26 -4.31 117.16 107.54 3iuq n TYR 61 Ca 0.18 -0.01 -0.04 0.00 1.88 0.00 0.00 57.90 59.91 3iuq n TYR 61 Cb 0.42 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.40 3iuq n TYR 61 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3iuq h ARG 62 N 2.29 0.00 -0.69 -3.48 2.43 -1.87 -1.23 114.38 111.84 3iuq h ARG 62 Ca 0.00 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3iuq h ARG 62 Cb 0.49 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 3iuq h ARG 62 CO 0.00 0.00 0.31 0.00 -1.51 0.00 0.00 179.97 178.78 3iuq h ALA 63 N 1.43 0.94 -0.66 2.80 0.00 -1.81 -0.46 119.26 121.50 3iuq h ALA 63 Ca 0.21 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3iuq h ALA 63 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iuq h ALA 63 CO -0.44 -0.11 0.25 0.00 0.00 0.00 0.00 179.25 178.94 3iuq h ALA 64 N 1.44 1.20 -0.13 0.00 0.00 -1.54 -0.68 119.26 119.54 3iuq h ALA 64 Ca 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3iuq h ALA 64 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3iuq h ALA 64 CO -0.30 0.58 0.02 0.82 0.00 0.00 0.00 179.25 180.37 3iuq h ILE 65 N 0.96 1.22 -0.39 0.00 2.04 -0.22 0.24 117.51 121.36 3iuq h ILE 65 Ca 0.22 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.42 3iuq h ILE 65 Cb 0.21 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3iuq h ILE 65 CO -0.02 0.20 0.17 0.50 0.00 0.00 0.00 178.15 179.01 3iuq h LYS 66 N -0.00 0.35 -0.69 2.37 3.64 -0.80 0.21 116.57 121.65 3iuq h LYS 66 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3iuq h LYS 66 Cb 0.30 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3iuq h LYS 66 CO 0.00 0.23 0.31 0.93 -2.27 0.00 0.00 179.45 178.65 3iuq h GLU 67 N 0.36 1.00 -0.41 1.90 5.08 -1.00 0.30 114.58 121.81 3iuq h GLU 67 Ca 0.17 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3iuq h GLU 67 Cb 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3iuq h GLU 67 CO -0.14 0.80 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.42 3iuq h LYS 68 N 0.99 0.75 0.12 2.33 3.64 -0.16 -1.80 116.57 122.44 3iuq h LYS 68 Ca 0.24 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3iuq h LYS 68 Cb 0.15 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3iuq h LYS 68 CO -0.03 0.84 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.87 3iuq h LEU 69 N 0.57 -0.14 0.30 5.20 3.38 0.10 -2.15 115.31 122.57 3iuq h LEU 69 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iuq h LEU 69 Cb 0.52 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3iuq h LEU 69 CO 0.03 -0.06 -0.42 0.00 0.09 0.00 0.00 178.44 178.08 3iuq h ALA 70 N 0.66 -0.85 -0.22 1.53 0.00 -0.37 -2.39 119.26 117.62 3iuq h ALA 70 Ca -0.02 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iuq h ALA 70 Cb 0.16 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3iuq h ALA 70 CO 0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 179.25 178.05 3iuq h ALA 71 N -0.38 -0.08 0.00 0.00 0.00 -1.30 -1.44 119.26 116.06 3iuq h ALA 71 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iuq h ALA 71 Cb 0.72 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iuq h ALA 71 CO -0.14 -0.63 -0.01 0.66 0.00 0.00 0.00 179.25 179.13 3iuq h SER 72 N -0.21 0.00 0.73 0.00 4.64 -1.33 -2.41 113.55 114.97 3iuq h SER 72 Ca 0.13 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 3iuq h SER 72 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3iuq h SER 72 CO -0.35 0.01 -1.26 -0.25 -0.87 0.00 0.00 176.83 174.11 3iuq h TRP 73 N 0.00 0.21 -1.27 4.77 2.91 -0.74 -3.40 115.95 118.42 3iuq h TRP 73 Ca -0.00 -0.15 -0.42 0.00 1.13 0.00 0.00 58.89 59.45 3iuq h TRP 73 Cb 0.15 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 3iuq h TRP 73 CO 0.00 1.15 1.06 1.21 -1.03 0.00 0.00 178.44 180.82 3iuq s ASN 74 N -6.78 5.49 -0.17 2.65 3.04 -0.91 -4.88 114.94 113.39 3iuq s ASN 74 Ca -0.03 -0.51 -0.27 0.00 0.04 0.00 0.00 52.86 52.09 3iuq s ASN 74 Cb 0.08 -2.55 0.07 0.00 -1.54 0.00 0.00 41.25 37.31 3iuq s ASN 74 CO 0.84 -2.36 0.68 -0.72 -3.04 0.00 0.00 177.10 172.50 3iuq s TYR 75 N 8.58 -0.70 0.29 0.43 -0.85 -1.26 -4.97 117.35 118.86 3iuq s TYR 75 Ca 0.62 1.51 -0.30 0.00 -0.52 0.00 0.00 57.07 58.38 3iuq s TYR 75 Cb -0.07 0.32 -0.11 0.00 0.38 0.00 0.00 41.96 42.48 3iuq s TYR 75 CO 0.05 -0.47 1.52 0.00 -1.52 0.00 0.00 175.55 175.13 3iuq s ALA 76 N -0.33 3.68 0.09 9.51 0.00 -1.26 -3.54 121.76 129.92 3iuq s ALA 76 Ca -0.05 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.45 3iuq s ALA 76 Cb -0.03 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3iuq s ALA 76 CO 0.05 -0.89 -0.18 0.15 0.00 0.00 0.00 175.76 174.89 3iuq s LYS 77 N -0.69 1.00 -0.23 0.00 1.02 0.14 -4.39 119.74 116.61 3iuq s LYS 77 Ca 0.60 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 3iuq s LYS 77 Cb -0.45 -1.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.81 3iuq s LYS 77 CO 0.48 0.26 0.52 -2.00 -0.92 0.00 0.00 175.35 173.69 3iuq s GLU 78 N -1.94 0.48 0.94 1.68 2.12 -1.26 -0.98 118.70 119.73 3iuq s GLU 78 Ca 0.04 1.08 -0.13 0.00 0.36 0.00 0.00 54.97 56.32 3iuq s GLU 78 Cb -0.09 0.28 0.21 0.00 0.26 0.00 0.00 34.13 34.78 3iuq s GLU 78 CO 0.03 -0.19 1.28 0.20 -0.54 0.00 0.00 175.26 176.04 3iuq s GLY 79 N 2.07 1.80 0.42 -1.50 0.00 0.47 -5.00 107.32 105.58 3iuq s GLY 79 Ca -0.07 -1.45 -0.24 0.00 0.00 0.00 0.00 44.72 42.97 3iuq s GLY 79 CO -0.16 -0.66 1.11 0.00 0.00 0.00 0.00 173.10 173.39 3iuq s ALA 80 N -3.78 3.04 0.38 3.20 0.00 -1.26 -4.63 121.76 118.72 3iuq s ALA 80 Ca 0.75 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 53.33 3iuq s ALA 80 Cb -0.03 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3iuq s ALA 80 CO 0.52 -0.42 0.87 -1.25 0.00 0.00 0.00 175.76 175.48 3iuq s PRO 81 N -2.58 4.17 -0.03 0.00 0.04 -1.26 -4.63 135.00 130.72 3iuq s PRO 81 Ca 0.60 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 3iuq s PRO 81 Cb -0.25 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.00 3iuq s PRO 81 CO 0.31 0.06 0.06 -0.59 0.04 0.00 0.00 177.00 176.88 3iuq s PHE 82 N -2.07 -0.03 0.12 0.56 -0.71 -0.12 -4.94 117.98 110.79 3iuq s PHE 82 Ca 0.58 0.21 -0.25 0.00 -1.04 0.00 0.00 56.93 56.43 3iuq s PHE 82 Cb -0.10 -0.14 -0.07 0.00 -1.21 0.00 0.00 43.02 41.50 3iuq s PHE 82 CO 0.15 -0.09 0.77 0.50 -1.34 0.00 0.00 175.22 175.21 3iuq s ARG 83 N 0.84 4.54 -0.16 1.99 3.52 -1.26 -0.43 118.95 127.99 3iuq s ARG 83 Ca -0.07 1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 56.61 3iuq s ARG 83 Cb -0.09 -3.30 0.08 0.00 -1.56 0.00 0.00 34.95 30.07 3iuq s ARG 83 CO -0.03 0.47 0.20 -1.21 -0.81 0.00 0.00 175.30 173.92 3iuq s GLU 84 N -0.75 0.14 7.41 5.12 0.41 -0.40 -4.97 118.70 125.65 3iuq s GLU 84 Ca 0.37 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 3iuq s GLU 84 Cb -0.22 -0.86 0.00 0.00 -1.78 0.00 0.00 34.13 31.27 3iuq s GLU 84 CO 0.25 -0.52 0.00 0.41 -0.49 0.00 0.00 175.26 174.91 3iuq n GLY 85 N 5.32 2.62 1.64 -1.39 0.00 -1.25 -2.49 105.19 109.64 3iuq n GLY 85 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.71 3iuq n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iuq n ARG 86 N 13.24 3.79 -4.25 1.61 1.85 -1.26 -4.97 116.66 126.67 3iuq n ARG 86 Ca 0.00 -3.07 -0.14 0.00 -1.00 0.00 0.00 57.85 53.64 3iuq n ARG 86 Cb 0.00 -2.12 -0.10 0.00 -1.05 0.00 0.00 32.46 29.19 3iuq n ARG 86 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3iuq s TYR 87 N -2.91 1.25 -0.12 2.89 2.02 -1.04 -4.64 117.35 114.80 3iuq s TYR 87 Ca 0.51 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3iuq s TYR 87 Cb 0.41 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 41.30 3iuq s TYR 87 CO 0.12 0.06 -0.09 -1.01 -1.57 0.00 0.00 175.55 173.07 3iuq s HIS 88 N -3.35 2.90 0.24 2.71 3.76 -0.67 -1.28 115.29 119.60 3iuq s HIS 88 Ca 0.17 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.79 3iuq s HIS 88 Cb 0.03 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 3iuq s HIS 88 CO 0.00 -0.04 -0.06 0.71 -0.85 0.00 0.00 174.74 174.51 3iuq s TYR 89 N 0.11 2.63 -0.26 1.40 2.02 0.43 -1.13 117.35 122.56 3iuq s TYR 89 Ca -0.04 -0.23 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 3iuq s TYR 89 Cb -0.14 -1.20 0.13 0.00 -0.40 0.00 0.00 41.96 40.34 3iuq s TYR 89 CO 0.04 0.59 1.05 -0.59 -1.57 0.00 0.00 175.55 175.07 3iuq s PHE 90 N -2.13 -0.42 0.18 2.71 -0.12 -0.72 -0.95 117.98 116.53 3iuq s PHE 90 Ca 0.29 0.97 -0.25 0.00 -0.05 0.00 0.00 56.93 57.89 3iuq s PHE 90 Cb -0.07 0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 42.63 3iuq s PHE 90 CO 0.18 -0.24 0.78 -0.06 -0.05 0.00 0.00 175.22 175.83 3iuq s PHE 91 N -0.09 3.87 0.07 3.49 0.08 -1.26 -0.38 117.98 123.76 3iuq s PHE 91 Ca 0.02 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.69 3iuq s PHE 91 Cb -0.04 -2.76 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 3iuq s PHE 91 CO -0.05 0.48 -0.05 0.15 -0.10 0.00 0.00 175.22 175.65 3iuq s LYS 92 N -1.29 0.68 -0.21 0.44 1.02 0.47 -0.39 119.74 120.46 3iuq s LYS 92 Ca 0.37 -1.21 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 3iuq s LYS 92 Cb -0.22 0.01 0.10 0.00 -0.52 0.00 0.00 37.83 37.20 3iuq s LYS 92 CO 0.26 -0.06 0.43 1.21 -0.92 0.00 0.00 175.35 176.27 3iuq s ASN 93 N -2.82 -0.30 0.00 2.83 3.84 -0.15 -0.43 114.94 117.91 3iuq s ASN 93 Ca 0.07 1.01 0.07 0.00 0.21 0.00 0.00 52.86 54.22 3iuq s ASN 93 Cb 0.05 1.41 0.43 0.00 -0.55 0.00 0.00 41.25 42.59 3iuq s ASN 93 CO -0.07 -0.23 1.14 -0.90 -2.79 0.00 0.00 177.10 174.25 3iuq n ASP 94 N 5.39 0.00 0.00 -4.21 3.85 -1.26 0.27 116.55 120.60 3iuq n ASP 94 Ca -0.09 -1.47 0.00 0.00 -0.71 0.00 0.00 54.79 52.53 3iuq n ASP 94 Cb 0.49 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 3iuq n ASP 94 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3iuq n GLY 95 N 0.44 3.16 0.80 6.12 0.00 -1.23 -4.11 105.19 110.37 3iuq n GLY 95 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3iuq n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iuq n LEU 96 N 0.00 2.68 -4.83 0.99 4.32 -1.26 -4.41 117.00 114.49 3iuq n LEU 96 Ca 0.00 -1.01 -0.37 0.00 -0.02 0.00 0.00 56.01 54.60 3iuq n LEU 96 Cb 0.00 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.73 3iuq n LEU 96 CO 0.00 0.46 0.01 -1.10 -1.22 0.00 0.00 177.39 175.54 3iuq s GLN 97 N -1.66 3.86 0.05 3.23 -0.21 -1.26 -5.01 119.66 118.66 3iuq s GLN 97 Ca 0.24 0.21 -0.24 0.00 0.02 0.00 0.00 55.36 55.58 3iuq s GLN 97 Cb 0.17 -3.25 -0.17 0.00 1.00 0.00 0.00 33.01 30.76 3iuq s GLN 97 CO 0.25 0.62 1.58 -0.97 -2.12 0.00 0.00 175.29 174.66 3iuq h ASN 98 N 5.19 -0.02 -4.03 5.90 -0.00 -1.99 -3.44 115.58 117.19 3iuq h ASN 98 Ca -0.50 -0.15 -0.69 0.00 -0.00 0.00 0.00 56.30 54.96 3iuq h ASN 98 Cb 1.21 0.00 -0.23 0.00 -0.00 0.00 0.00 38.32 39.31 3iuq h ASN 98 CO 0.63 0.14 -0.80 -1.10 -0.00 0.00 0.00 177.43 176.31 3iuq s GLN 99 N -5.57 2.22 0.56 6.67 -0.21 -1.26 -4.86 119.66 117.20 3iuq s GLN 99 Ca -0.14 -0.89 -0.21 0.00 0.02 0.00 0.00 55.36 54.14 3iuq s GLN 99 Cb 0.05 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 3iuq s GLN 99 CO 0.66 0.57 1.37 -0.80 -2.12 0.00 0.00 175.29 174.97 3iuq s ASN 100 N -1.17 5.15 -0.12 5.90 0.01 -1.26 -4.73 114.94 118.72 3iuq s ASN 100 Ca 0.13 2.79 -0.05 0.00 -0.71 0.00 0.00 52.86 55.02 3iuq s ASN 100 Cb -0.10 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 3iuq s ASN 100 CO 0.03 -1.65 0.06 -0.69 -1.51 0.00 0.00 177.10 173.35 3iuq s VAL 101 N -1.29 4.85 -0.27 1.60 1.01 0.43 -4.54 120.40 122.18 3iuq s VAL 101 Ca 0.73 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 3iuq s VAL 101 Cb -0.41 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3iuq s VAL 101 CO 0.48 0.59 0.62 -0.22 0.00 0.00 0.00 175.10 176.57 3iuq s LEU 102 N -0.72 4.09 0.35 3.92 2.96 -0.37 -0.40 118.68 128.51 3iuq s LEU 102 Ca 0.12 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 3iuq s LEU 102 Cb -0.12 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 3iuq s LEU 102 CO 0.03 -0.41 0.34 0.26 -1.32 0.00 0.00 176.35 175.25 3iuq s TRP 103 N 2.54 2.91 0.01 5.38 0.52 0.49 -0.36 118.94 130.44 3iuq s TRP 103 Ca 0.25 -0.31 -0.07 0.00 0.02 0.00 0.00 56.10 55.99 3iuq s TRP 103 Cb -0.15 -1.90 -0.00 0.00 -1.15 0.00 0.00 33.47 30.27 3iuq s TRP 103 CO 0.10 0.09 0.13 0.50 0.02 0.00 0.00 176.95 177.79 3iuq s ARG 104 N -4.06 0.52 -0.17 4.98 3.52 0.26 -1.76 118.95 122.24 3iuq s ARG 104 Ca 0.43 -0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.39 3iuq s ARG 104 Cb -0.06 0.21 0.05 0.00 -1.56 0.00 0.00 34.95 33.59 3iuq s ARG 104 CO 0.28 -0.13 0.45 -1.14 -0.81 0.00 0.00 175.30 173.95 3iuq s GLN 105 N -1.76 0.50 0.20 5.12 0.74 -0.29 -0.74 119.66 123.44 3iuq s GLN 105 Ca -0.12 0.69 0.06 0.00 0.05 0.00 0.00 55.36 56.04 3iuq s GLN 105 Cb -0.06 0.18 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 3iuq s GLN 105 CO -0.00 -0.09 0.18 -1.14 -0.55 0.00 0.00 175.29 173.69 3iuq s GLN 106 N 0.57 2.96 -0.39 1.67 0.74 -1.26 -1.67 119.66 122.28 3iuq s GLN 106 Ca -0.03 -0.93 -0.36 0.00 0.05 0.00 0.00 55.36 54.09 3iuq s GLN 106 Cb -0.05 -2.63 -0.15 0.00 1.10 0.00 0.00 33.01 31.28 3iuq s GLN 106 CO -0.03 0.45 1.32 -1.91 -0.55 0.00 0.00 175.29 174.56 3iuq n GLU 107 N -0.76 0.00 0.00 1.67 2.13 -1.26 -0.87 120.64 121.55 3iuq n GLU 107 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3iuq n GLU 107 Cb 0.56 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3iuq n GLU 107 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iuq n GLY 108 N 3.60 0.72 3.88 8.31 0.00 -1.26 -4.95 105.19 115.50 3iuq n GLY 108 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 3iuq n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iuq s LYS 109 N 0.00 3.08 0.42 1.61 1.02 -0.05 -5.04 119.74 120.77 3iuq s LYS 109 Ca 0.00 0.51 -0.24 0.00 0.02 0.00 0.00 55.97 56.26 3iuq s LYS 109 Cb 0.00 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 3iuq s LYS 109 CO 0.00 -0.88 1.08 -1.25 -0.92 0.00 0.00 175.35 173.38 3iuq s PRO 110 N -5.28 4.06 0.40 -1.68 0.04 -1.26 -4.47 135.00 126.81 3iuq s PRO 110 Ca 0.57 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.93 3iuq s PRO 110 Cb -0.11 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 3iuq s PRO 110 CO 0.52 -0.25 1.24 0.00 0.04 0.00 0.00 177.00 178.54 3iuq s ALA 111 N -1.63 3.22 0.12 8.56 0.00 -1.26 -4.67 121.76 126.10 3iuq s ALA 111 Ca 0.59 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.71 3iuq s ALA 111 Cb -0.24 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3iuq s ALA 111 CO 0.29 -0.67 -0.12 -1.83 0.00 0.00 0.00 175.76 173.43 3iuq s GLU 112 N -2.23 1.00 0.18 0.00 -1.05 0.08 -4.97 118.70 111.71 3iuq s GLU 112 Ca 0.56 -1.28 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 3iuq s GLU 112 Cb -0.35 -0.75 -0.08 0.00 -0.44 0.00 0.00 34.13 32.52 3iuq s GLU 112 CO 0.44 0.13 1.18 0.08 0.95 0.00 0.00 175.26 178.04 3iuq s VAL 113 N -2.53 3.62 -0.17 1.83 1.01 -1.26 -0.57 120.40 122.33 3iuq s VAL 113 Ca 0.10 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 3iuq s VAL 113 Cb -0.02 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3iuq s VAL 113 CO 0.02 0.22 -0.18 0.33 0.00 0.00 0.00 175.10 175.49 3iuq n PHE 114 N 2.47 0.00 -3.46 5.22 7.35 0.52 -4.81 117.46 124.75 3iuq n PHE 114 Ca 0.04 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.62 3iuq n PHE 114 Cb 0.45 -0.64 -0.10 0.00 0.35 0.00 0.00 39.48 39.55 3iuq n PHE 114 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iuq s LEU 115 N -6.41 -0.51 -0.40 -2.13 2.96 -0.60 -5.02 118.68 106.57 3iuq s LEU 115 Ca -0.23 0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3iuq s LEU 115 Cb 0.07 0.99 0.09 0.00 0.50 0.00 0.00 46.19 47.84 3iuq s LEU 115 CO 0.35 -0.29 0.21 -0.62 -1.32 0.00 0.00 176.35 174.68 3iuq s ASP 116 N 2.51 5.37 0.51 3.68 2.15 -1.26 -1.24 116.67 128.39 3iuq s ASP 116 Ca 0.08 -1.74 0.18 0.00 0.43 0.00 0.00 52.55 51.50 3iuq s ASP 116 Cb -0.15 -1.88 1.26 0.00 -0.30 0.00 0.00 42.92 41.85 3iuq s ASP 116 CO -0.14 -0.52 2.09 -0.65 -0.17 0.00 0.00 175.17 175.79 3iuq h PRO 117 N 8.20 0.07 -0.13 4.34 0.11 -1.89 -2.71 132.00 139.99 3iuq h PRO 117 Ca -0.18 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.93 3iuq h PRO 117 Cb 1.06 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3iuq h PRO 117 CO 0.71 0.04 0.09 -0.91 -0.21 0.00 0.00 178.00 177.72 3iuq h ASN 118 N 0.07 0.11 1.57 -2.05 2.35 -1.88 -1.73 115.58 114.02 3iuq h ASN 118 Ca 0.09 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3iuq h ASN 118 Cb 0.29 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3iuq h ASN 118 CO -0.01 0.08 0.00 0.71 -1.65 0.00 0.00 177.43 176.56 3iuq h THR 119 N 0.13 0.00 0.00 2.81 1.35 -1.89 -3.23 112.91 112.08 3iuq h THR 119 Ca 0.05 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3iuq h THR 119 Cb 0.04 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3iuq h THR 119 CO -0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.44 3iuq n LEU 120 N -2.58 0.00 -3.64 3.87 4.77 -0.65 -4.70 117.00 114.07 3iuq n LEU 120 Ca 0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 3iuq n LEU 120 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3iuq n LEU 120 CO 0.31 0.00 0.52 -0.94 -1.33 0.00 0.00 177.39 175.94 3iuq s SER 121 N -1.95 -0.71 0.12 -1.43 1.04 -1.22 -4.78 113.70 104.76 3iuq s SER 121 Ca 0.31 1.20 -0.31 0.00 0.48 0.00 0.00 55.95 57.63 3iuq s SER 121 Cb 0.14 1.27 -0.10 0.00 0.10 0.00 0.00 66.02 67.43 3iuq s SER 121 CO 0.24 -0.20 1.51 -0.65 0.98 0.00 0.00 173.24 175.12 3iuq h PRO 122 N 6.00 -0.32 -0.76 4.02 0.11 -1.84 -0.45 132.00 138.77 3iuq h PRO 122 Ca -0.29 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 3iuq h PRO 122 Cb 1.20 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 3iuq h PRO 122 CO 0.15 -0.22 0.10 -0.40 -0.21 0.00 0.00 178.00 177.42 3iuq n ASP 123 N -5.18 4.28 -3.81 -2.05 5.68 -1.26 -4.91 116.55 109.29 3iuq n ASP 123 Ca -0.03 -2.78 -0.25 0.00 -0.50 0.00 0.00 54.79 51.23 3iuq n ASP 123 Cb 0.31 -0.66 0.02 0.00 -1.14 0.00 0.00 41.12 39.65 3iuq n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iuq n GLY 124 N 0.22 -0.35 0.08 6.12 0.00 -0.18 -4.66 105.19 106.42 3iuq n GLY 124 Ca 0.25 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 3iuq n GLY 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iuq h THR 125 N -1.93 1.65 -3.19 2.61 1.35 -1.91 -3.46 112.91 108.03 3iuq h THR 125 Ca -0.60 -2.38 -0.53 0.00 -0.55 0.00 0.00 66.41 62.35 3iuq h THR 125 Cb 1.37 3.26 0.05 0.00 -1.73 0.00 0.00 68.15 71.09 3iuq h THR 125 CO 0.61 0.62 0.78 -0.89 -0.25 0.00 0.00 175.52 176.39 3iuq s THR 126 N -2.28 2.73 0.09 6.82 2.01 -1.26 -4.23 115.64 119.52 3iuq s THR 126 Ca -0.18 0.58 0.08 0.00 0.31 0.00 0.00 61.69 62.47 3iuq s THR 126 Cb -0.01 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 3iuq s THR 126 CO 0.72 0.07 -0.20 0.00 -0.69 0.00 0.00 174.62 174.52 3iuq s ALA 127 N 0.42 1.69 -0.10 7.40 0.00 -0.81 -4.82 121.76 125.54 3iuq s ALA 127 Ca 0.63 -1.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 3iuq s ALA 127 Cb -0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3iuq s ALA 127 CO 0.39 0.33 0.87 -1.17 0.00 0.00 0.00 175.76 176.18 3iuq s LEU 128 N -1.80 4.26 0.00 0.00 2.96 -1.26 -0.70 118.68 122.14 3iuq s LEU 128 Ca 0.05 1.35 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 3iuq s LEU 128 Cb -0.10 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.25 3iuq s LEU 128 CO 0.04 -0.33 0.00 -0.67 -1.32 0.00 0.00 176.35 174.07 3iuq n ASP 129 N 4.64 0.00 -4.76 3.68 2.03 0.27 -4.94 116.55 117.47 3iuq n ASP 129 Ca 0.05 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 3iuq n ASP 129 Cb 0.50 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.83 3iuq n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3iuq s GLN 130 N 0.02 2.82 -0.01 -0.67 -0.21 -1.24 -4.93 119.66 115.44 3iuq s GLN 130 Ca 0.00 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.63 3iuq s GLN 130 Cb 0.00 -2.66 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 3iuq s GLN 130 CO 0.00 0.53 -0.14 -0.48 -2.12 0.00 0.00 175.29 173.08 3iuq s LEU 131 N -2.64 2.03 -0.12 2.90 0.05 -1.26 -0.53 118.68 119.10 3iuq s LEU 131 Ca 0.29 -0.25 -0.04 0.00 0.05 0.00 0.00 54.13 54.18 3iuq s LEU 131 Cb -0.11 -0.70 0.06 0.00 -2.05 0.00 0.00 46.19 43.39 3iuq s LEU 131 CO 0.22 0.16 0.21 -0.55 -0.55 0.00 0.00 176.35 175.84 3iuq s SER 132 N -0.34 0.71 0.21 1.48 0.15 0.21 -4.98 113.70 111.14 3iuq s SER 132 Ca 0.05 0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.93 3iuq s SER 132 Cb -0.05 0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 64.64 3iuq s SER 132 CO -0.00 -0.26 0.55 -0.36 1.20 0.00 0.00 173.24 174.37 3iuq s PHE 133 N 2.35 3.47 0.94 3.44 0.08 -1.26 -0.55 117.98 126.45 3iuq s PHE 133 Ca 0.03 0.93 -0.11 0.00 0.12 0.00 0.00 56.93 57.90 3iuq s PHE 133 Cb -0.13 -2.30 0.15 0.00 -0.57 0.00 0.00 43.02 40.18 3iuq s PHE 133 CO -0.08 0.31 1.09 -1.54 -0.10 0.00 0.00 175.22 174.90 3iuq s SER 134 N -2.18 3.00 0.32 1.36 1.04 -0.18 -4.81 113.70 112.25 3iuq s SER 134 Ca 0.45 1.63 0.10 0.00 0.48 0.00 0.00 55.95 58.60 3iuq s SER 134 Cb -0.12 -2.28 0.90 0.00 0.10 0.00 0.00 66.02 64.62 3iuq s SER 134 CO 0.20 -2.96 1.72 -0.09 0.98 0.00 0.00 173.24 173.10 3iuq h ARG 135 N -1.77 0.53 -0.01 4.02 9.65 -1.79 0.12 114.38 125.13 3iuq h ARG 135 Ca -0.50 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3iuq h ARG 135 Cb 1.29 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3iuq h ARG 135 CO 0.51 0.35 -0.03 -0.40 2.80 0.00 0.00 179.97 183.21 3iuq n ASP 136 N -4.91 1.00 -0.23 -3.80 5.68 -1.26 -4.86 116.55 108.17 3iuq n ASP 136 Ca 0.27 -1.25 -0.03 0.00 -0.50 0.00 0.00 54.79 53.28 3iuq n ASP 136 Cb 0.76 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.73 3iuq n ASP 136 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iuq n GLY 137 N 1.15 0.50 0.09 6.12 0.00 0.40 -3.91 105.19 109.54 3iuq n GLY 137 Ca 0.19 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3iuq n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iuq h ARG 138 N 0.33 0.00 -5.31 1.61 3.08 -1.92 -3.41 114.38 108.75 3iuq h ARG 138 Ca -0.06 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.51 3iuq h ARG 138 Cb 0.61 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.38 3iuq h ARG 138 CO 0.09 0.00 -0.81 0.42 -1.07 0.00 0.00 179.97 178.60 3iuq s ILE 139 N -3.27 1.12 -0.11 2.04 -1.09 -1.26 -1.44 121.20 117.18 3iuq s ILE 139 Ca 0.02 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3iuq s ILE 139 Cb 0.11 -0.95 0.01 0.00 -1.58 0.00 0.00 42.46 40.05 3iuq s ILE 139 CO 0.77 0.25 -0.19 -0.22 -1.23 0.00 0.00 174.94 174.32 3iuq s LEU 140 N -0.51 1.89 -0.12 2.97 2.96 -0.38 -1.01 118.68 124.47 3iuq s LEU 140 Ca 0.05 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3iuq s LEU 140 Cb -0.06 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3iuq s LEU 140 CO -0.00 0.07 -0.04 0.00 -1.32 0.00 0.00 176.35 175.06 3iuq s ALA 141 N 0.74 3.02 -0.06 5.97 0.00 0.29 -0.71 121.76 131.01 3iuq s ALA 141 Ca -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 3iuq s ALA 141 Cb -0.16 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.52 3iuq s ALA 141 CO 0.02 0.35 0.25 1.52 0.00 0.00 0.00 175.76 177.90 3iuq s TYR 142 N -0.09 -0.21 -0.05 0.00 -0.85 -0.58 0.65 117.35 116.22 3iuq s TYR 142 Ca 0.02 0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 57.00 3iuq s TYR 142 Cb -0.13 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 3iuq s TYR 142 CO 0.03 -0.21 0.14 -1.54 -1.52 0.00 0.00 175.55 172.44 3iuq s SER 143 N -0.41 6.17 -0.04 -0.18 1.04 0.31 -0.05 113.70 120.54 3iuq s SER 143 Ca -0.05 0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.78 3iuq s SER 143 Cb -0.03 -1.92 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 3iuq s SER 143 CO 0.01 0.33 -0.22 -0.76 0.98 0.00 0.00 173.24 173.58 3iuq s LEU 144 N -1.49 2.02 -0.38 2.42 1.43 -0.06 -0.57 118.68 122.06 3iuq s LEU 144 Ca 0.21 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 3iuq s LEU 144 Cb -0.12 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 44.97 3iuq s LEU 144 CO 0.11 0.24 0.18 -0.94 0.23 0.00 0.00 176.35 176.17 3iuq s SER 145 N -0.27 5.48 0.45 2.29 1.04 0.12 -2.28 113.70 120.53 3iuq s SER 145 Ca 0.02 -1.30 -0.21 0.00 0.48 0.00 0.00 55.95 54.93 3iuq s SER 145 Cb -0.11 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 3iuq s SER 145 CO 0.01 -0.42 1.01 -0.76 0.98 0.00 0.00 173.24 174.06 3iuq s LEU 146 N 1.41 3.95 0.00 2.42 1.02 -1.26 -1.93 118.68 124.29 3iuq s LEU 146 Ca 0.01 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.02 3iuq s LEU 146 Cb -0.21 -4.47 0.00 0.00 0.02 0.00 0.00 46.19 41.53 3iuq s LEU 146 CO 0.03 -0.56 0.00 0.00 0.02 0.00 0.00 176.35 175.84 3iuq n ALA 147 N -0.64 0.00 -2.52 4.21 0.00 -1.26 -3.47 120.51 116.82 3iuq n ALA 147 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.33 3iuq n ALA 147 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 3iuq n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuq n GLY 148 N 0.00 4.23 3.87 0.00 0.00 -1.26 -4.78 105.19 107.25 3iuq n GLY 148 Ca 0.00 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 3iuq n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iuq s SER 149 N -3.42 4.80 0.00 1.61 1.04 -1.23 -4.14 113.70 112.36 3iuq s SER 149 Ca 0.40 -0.99 0.29 0.00 0.48 0.00 0.00 55.95 56.12 3iuq s SER 149 Cb 0.42 -0.13 1.20 0.00 0.10 0.00 0.00 66.02 67.60 3iuq s SER 149 CO -0.08 -0.85 1.85 0.47 0.98 0.00 0.00 173.24 175.61 3iuq n ASP 150 N -1.62 0.46 -4.82 7.02 10.43 -1.26 -4.85 116.55 121.91 3iuq n ASP 150 Ca 0.02 -0.54 -0.33 0.00 2.57 0.00 0.00 54.79 56.51 3iuq n ASP 150 Cb 0.63 -0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.49 3iuq n ASP 150 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3iuq s TRP 151 N -2.50 3.24 0.20 1.24 0.52 -1.26 -4.20 118.94 116.17 3iuq s TRP 151 Ca 0.28 1.51 -0.02 0.00 0.02 0.00 0.00 56.10 57.89 3iuq s TRP 151 Cb 0.20 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 3iuq s TRP 151 CO 0.48 -0.61 0.15 1.03 0.02 0.00 0.00 176.95 178.02 3iuq s ARG 152 N -3.84 1.20 -0.01 4.98 1.81 0.16 -4.44 118.95 118.80 3iuq s ARG 152 Ca 0.62 -1.58 0.01 0.00 -1.72 0.00 0.00 55.73 53.06 3iuq s ARG 152 Cb -0.12 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 3iuq s ARG 152 CO 0.29 -0.40 -0.05 -2.00 -0.68 0.00 0.00 175.30 172.47 3iuq s GLU 153 N -4.14 0.50 -0.31 3.54 2.12 -0.96 -2.77 118.70 116.68 3iuq s GLU 153 Ca 0.36 -0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 3iuq s GLU 153 Cb 0.06 -0.51 0.01 0.00 0.26 0.00 0.00 34.13 33.96 3iuq s GLU 153 CO 0.11 0.06 0.11 0.42 -0.54 0.00 0.00 175.26 175.42 3iuq s ILE 154 N 0.17 4.19 0.21 -3.70 1.01 -0.77 -0.88 121.20 121.44 3iuq s ILE 154 Ca -0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3iuq s ILE 154 Cb -0.06 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 3iuq s ILE 154 CO -0.00 0.04 0.49 -1.00 0.00 0.00 0.00 174.94 174.46 3iuq s HIS 155 N 1.53 3.45 -0.20 3.97 3.76 0.92 -1.12 115.29 127.61 3iuq s HIS 155 Ca 0.03 0.70 0.01 0.00 -0.15 0.00 0.00 55.06 55.64 3iuq s HIS 155 Cb -0.17 -2.12 0.04 0.00 1.11 0.00 0.00 32.58 31.43 3iuq s HIS 155 CO 0.04 0.30 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.61 3iuq s LEU 156 N -2.96 2.29 -0.04 0.89 1.43 -1.26 -1.52 118.68 117.50 3iuq s LEU 156 Ca 0.44 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3iuq s LEU 156 Cb -0.11 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3iuq s LEU 156 CO 0.25 -0.13 -0.15 -0.32 0.23 0.00 0.00 176.35 176.23 3iuq s MET 157 N 1.38 2.47 -0.28 1.70 -2.45 0.11 0.18 119.30 122.41 3iuq s MET 157 Ca -0.01 -0.72 -0.28 0.00 -1.25 0.00 0.00 55.69 53.44 3iuq s MET 157 Cb -0.16 -2.35 0.01 0.00 1.25 0.00 0.00 34.83 33.58 3iuq s MET 157 CO -0.09 0.62 0.99 0.34 1.05 0.00 0.00 175.02 177.93 3iuq s ASP 158 N -0.75 6.93 0.39 1.11 2.15 -0.14 -1.25 116.67 125.11 3iuq s ASP 158 Ca 0.12 1.08 0.07 0.00 0.43 0.00 0.00 52.55 54.25 3iuq s ASP 158 Cb -0.11 -2.51 0.80 0.00 -0.30 0.00 0.00 42.92 40.81 3iuq s ASP 158 CO 0.01 -0.73 1.99 0.58 -0.17 0.00 0.00 175.17 176.84 3iuq h VAL 159 N 5.59 1.14 0.33 1.11 2.07 -1.56 0.18 116.25 125.11 3iuq h VAL 159 Ca -0.21 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3iuq h VAL 159 Cb 1.07 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3iuq h VAL 159 CO 0.98 0.17 -0.16 -0.08 0.02 0.00 0.00 177.57 178.49 3iuq h GLU 160 N 0.44 -0.43 0.00 1.57 4.57 -1.92 -3.29 114.58 115.53 3iuq h GLU 160 Ca 0.11 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3iuq h GLU 160 Cb 0.13 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3iuq h GLU 160 CO -0.01 -0.10 -0.18 0.66 -1.18 0.00 0.00 179.01 178.20 3iuq h SER 161 N -0.87 0.00 -1.46 1.04 4.64 -1.95 -3.47 113.55 111.48 3iuq h SER 161 Ca -0.05 -0.05 -0.32 0.00 -0.47 0.00 0.00 61.79 60.91 3iuq h SER 161 Cb 0.53 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 3iuq h SER 161 CO 0.07 0.02 -0.35 0.29 -0.87 0.00 0.00 176.83 176.00 3iuq n LYS 162 N -2.38 -1.18 -4.26 4.77 5.02 0.63 -5.01 118.16 115.76 3iuq n LYS 162 Ca 0.05 0.92 -0.23 0.00 -2.02 0.00 0.00 58.31 57.03 3iuq n LYS 162 Cb 0.45 -5.19 -0.07 0.00 -0.02 0.00 0.00 35.03 30.20 3iuq n LYS 162 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iuq s GLN 163 N -4.02 2.36 0.29 1.97 -1.52 -1.21 -4.89 119.66 112.65 3iuq s GLN 163 Ca 0.00 -1.40 -0.30 0.00 -1.95 0.00 0.00 55.36 51.71 3iuq s GLN 163 Cb 0.00 -2.20 -0.12 0.00 -0.22 0.00 0.00 33.01 30.47 3iuq s GLN 163 CO 0.00 0.34 1.56 -2.30 -0.25 0.00 0.00 175.29 174.64 3iuq n PRO 164 N -0.95 2.59 -0.09 2.91 -0.02 -1.26 -0.97 135.00 137.21 3iuq n PRO 164 Ca -0.06 0.92 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3iuq n PRO 164 Cb 0.59 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 3iuq n PRO 164 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iuq h LEU 165 N 4.62 0.00 -8.95 2.45 5.85 -0.58 -3.44 115.31 115.27 3iuq h LEU 165 Ca -0.47 -0.35 -0.42 0.00 0.84 0.00 0.00 57.88 57.49 3iuq h LEU 165 Cb 1.23 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.13 3iuq h LEU 165 CO 0.78 1.15 -0.55 -1.61 -0.34 0.00 0.00 178.44 177.88 3iuq s GLU 166 N -2.26 1.60 0.46 1.25 2.02 -1.24 -5.04 118.70 115.49 3iuq s GLU 166 Ca -0.22 -1.92 -0.23 0.00 0.02 0.00 0.00 54.97 52.63 3iuq s GLU 166 Cb 0.04 -0.01 -0.07 0.00 0.10 0.00 0.00 34.13 34.19 3iuq s GLU 166 CO 0.44 -0.48 1.19 -0.08 0.02 0.00 0.00 175.26 176.35 3iuq s THR 167 N -3.61 3.00 0.67 3.63 -1.32 -1.26 -4.50 115.64 112.24 3iuq s THR 167 Ca 0.36 0.76 -0.16 0.00 -1.21 0.00 0.00 61.69 61.44 3iuq s THR 167 Cb 0.05 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 3iuq s THR 167 CO 0.19 0.00 1.19 -2.16 -2.21 0.00 0.00 174.62 171.63 3iuq s PRO 168 N -2.67 2.56 0.05 7.08 0.04 -1.26 -4.83 135.00 135.97 3iuq s PRO 168 Ca 0.64 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 3iuq s PRO 168 Cb -0.30 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 3iuq s PRO 168 CO 0.37 -1.51 0.74 -0.51 0.04 0.00 0.00 177.00 176.13 3iuq s LEU 169 N -4.69 4.46 0.35 -3.56 1.43 -0.27 -4.91 118.68 111.49 3iuq s LEU 169 Ca 0.75 1.43 0.08 0.00 -1.03 0.00 0.00 54.13 55.35 3iuq s LEU 169 Cb -0.28 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 3iuq s LEU 169 CO 0.40 0.05 0.27 -0.54 0.23 0.00 0.00 176.35 176.76 3iuq s LYS 170 N -0.20 2.59 -1.38 1.70 1.02 -1.26 -1.84 119.74 120.38 3iuq s LYS 170 Ca 0.37 -1.41 -0.08 0.00 0.02 0.00 0.00 55.97 54.87 3iuq s LYS 170 Cb -0.20 -2.38 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3iuq s LYS 170 CO 0.23 0.04 1.08 -0.25 -0.92 0.00 0.00 175.35 175.52 3iuq n ASP 171 N -1.35 -5.06 -4.87 2.83 8.00 -1.25 -5.00 116.55 109.85 3iuq n ASP 171 Ca -0.01 -0.63 -0.35 0.00 0.71 0.00 0.00 54.79 54.51 3iuq n ASP 171 Cb 0.61 -4.70 -0.05 0.00 -0.02 0.00 0.00 41.12 36.95 3iuq n ASP 171 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iuq s VAL 172 N -3.34 5.22 -0.18 2.53 1.01 -1.11 -4.29 120.40 120.23 3iuq s VAL 172 Ca 0.49 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 3iuq s VAL 172 Cb -0.22 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3iuq s VAL 172 CO 0.76 0.37 0.62 -0.75 0.00 0.00 0.00 175.10 176.10 3iuq s LYS 173 N -1.73 0.80 -1.49 2.72 2.20 -1.19 -0.67 119.74 120.39 3iuq s LYS 173 Ca 0.29 0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 56.57 3iuq s LYS 173 Cb -0.14 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 3iuq s LYS 173 CO 0.16 -0.15 0.20 1.19 -0.36 0.00 0.00 175.35 176.40 3iuq n PHE 174 N 2.25 -1.44 -4.38 4.03 3.72 -1.26 -4.49 117.46 115.88 3iuq n PHE 174 Ca -0.15 0.68 -0.28 0.00 -0.05 0.00 0.00 57.45 57.64 3iuq n PHE 174 Cb 0.56 -3.23 -0.13 0.00 -0.94 0.00 0.00 39.48 35.74 3iuq n PHE 174 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3iuq s SER 175 N -4.36 3.26 0.42 4.37 0.15 -1.26 -4.84 113.70 111.43 3iuq s SER 175 Ca 0.01 -0.75 0.05 0.00 0.70 0.00 0.00 55.95 55.96 3iuq s SER 175 Cb -0.01 -0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.15 3iuq s SER 175 CO 0.95 0.16 0.54 0.61 1.20 0.00 0.00 173.24 176.70 3iuq n GLY 176 N 0.87 1.68 2.71 9.45 0.00 -1.26 -4.92 105.19 113.72 3iuq n GLY 176 Ca -0.18 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.49 3iuq n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iuq s ILE 177 N -1.41 -0.32 -0.21 -0.61 1.01 -1.26 -4.39 121.20 114.02 3iuq s ILE 177 Ca 0.39 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3iuq s ILE 177 Cb -0.03 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.51 3iuq s ILE 177 CO 0.25 -0.54 -0.10 -0.55 0.00 0.00 0.00 174.94 174.00 3iuq s SER 178 N 2.25 3.53 0.31 3.58 0.15 -0.99 -4.85 113.70 117.68 3iuq s SER 178 Ca 0.10 -0.95 -0.28 0.00 0.70 0.00 0.00 55.95 55.51 3iuq s SER 178 Cb -0.14 -1.27 -0.09 0.00 -1.71 0.00 0.00 66.02 62.80 3iuq s SER 178 CO -0.32 -0.15 1.11 0.26 1.20 0.00 0.00 173.24 175.34 3iuq s TRP 179 N 1.36 3.47 -0.65 3.44 0.52 -1.26 -1.05 118.94 124.78 3iuq s TRP 179 Ca -0.02 1.67 -0.10 0.00 0.02 0.00 0.00 56.10 57.67 3iuq s TRP 179 Cb -0.17 -3.29 0.17 0.00 -1.15 0.00 0.00 33.47 29.03 3iuq s TRP 179 CO -0.08 -0.69 0.55 -1.17 0.02 0.00 0.00 176.95 175.58 3iuq s LEU 180 N -1.69 6.04 0.00 2.99 2.96 -0.08 -4.70 118.68 124.19 3iuq s LEU 180 Ca 0.47 -2.44 0.00 0.00 -0.22 0.00 0.00 54.13 51.94 3iuq s LEU 180 Cb -0.31 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3iuq s LEU 180 CO 0.40 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3iuq n GLY 181 N 4.22 3.99 0.00 7.98 0.00 -1.26 -2.03 105.19 118.09 3iuq n GLY 181 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3iuq n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iuq n ASN 182 N 7.06 1.84 -0.03 1.61 3.02 -1.26 -2.16 115.26 125.35 3iuq n ASN 182 Ca 0.00 -1.86 -0.15 0.00 -0.03 0.00 0.00 54.58 52.53 3iuq n ASN 182 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3iuq n ASN 182 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3iuq h GLU 183 N 0.00 0.39 0.00 3.52 5.08 -1.82 -3.47 114.58 118.28 3iuq h GLU 183 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3iuq h GLU 183 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3iuq h GLU 183 CO 0.00 0.97 0.00 0.41 -1.00 0.00 0.00 179.01 179.39 3iuq n GLY 184 N 0.75 -1.02 3.13 -3.84 0.00 -1.24 -1.55 105.19 101.42 3iuq n GLY 184 Ca -0.08 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 3iuq n GLY 184 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iuq s PHE 185 N -3.00 0.40 0.02 1.61 -0.12 -0.37 -0.90 117.98 115.62 3iuq s PHE 185 Ca 0.00 -0.90 -0.07 0.00 -0.05 0.00 0.00 56.93 55.91 3iuq s PHE 185 Cb 0.00 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 3iuq s PHE 185 CO 0.00 -0.45 0.29 -0.06 -0.05 0.00 0.00 175.22 174.96 3iuq s PHE 186 N -3.90 3.58 0.23 3.49 0.08 -0.21 -0.07 117.98 121.18 3iuq s PHE 186 Ca 0.07 0.61 -0.15 0.00 0.12 0.00 0.00 56.93 57.58 3iuq s PHE 186 Cb 0.07 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3iuq s PHE 186 CO -0.10 0.59 0.51 1.52 -0.10 0.00 0.00 175.22 177.64 3iuq s TYR 187 N -1.33 0.18 0.09 0.36 -0.85 -0.69 -2.36 117.35 112.75 3iuq s TYR 187 Ca 0.29 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 56.37 3iuq s TYR 187 Cb -0.13 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 3iuq s TYR 187 CO 0.17 -0.99 -0.19 -1.12 -1.52 0.00 0.00 175.55 171.90 3iuq s SER 188 N -2.97 3.81 0.03 -0.18 0.01 -1.26 -1.21 113.70 111.94 3iuq s SER 188 Ca 0.17 -0.52 -0.28 0.00 1.31 0.00 0.00 55.95 56.64 3iuq s SER 188 Cb -0.01 -0.55 0.07 0.00 0.21 0.00 0.00 66.02 65.74 3iuq s SER 188 CO 0.05 0.21 0.65 -0.55 0.41 0.00 0.00 173.24 174.01 3iuq s SER 189 N -1.86 -0.62 0.05 2.44 0.15 -0.53 -3.19 113.70 110.13 3iuq s SER 189 Ca 0.16 0.44 0.25 0.00 0.70 0.00 0.00 55.95 57.50 3iuq s SER 189 Cb -0.10 0.56 0.56 0.00 -1.71 0.00 0.00 66.02 65.33 3iuq s SER 189 CO 0.08 -0.75 1.46 -1.22 1.20 0.00 0.00 173.24 174.01 3iuq n TYR 190 N 0.40 0.22 -4.77 3.44 4.01 -1.26 -0.72 117.16 118.48 3iuq n TYR 190 Ca -0.18 0.06 -0.34 0.00 -0.16 0.00 0.00 57.90 57.29 3iuq n TYR 190 Cb 0.60 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 3iuq n TYR 190 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3iuq s ASP 191 N -3.46 4.16 0.11 7.72 1.01 -1.26 -4.72 116.67 120.23 3iuq s ASP 191 Ca 0.10 -1.68 0.01 0.00 0.71 0.00 0.00 52.55 51.69 3iuq s ASP 191 Cb 0.16 0.62 -0.04 0.00 1.01 0.00 0.00 42.92 44.67 3iuq s ASP 191 CO 0.68 -0.90 0.25 -0.54 0.21 0.00 0.00 175.17 174.88 3iuq s LYS 192 N -3.90 3.44 0.00 8.23 1.02 -1.26 -4.95 119.74 122.32 3iuq s LYS 192 Ca 0.03 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.51 3iuq s LYS 192 Cb 0.01 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3iuq s LYS 192 CO 0.01 0.56 0.00 -2.30 -0.92 0.00 0.00 175.35 172.70 3iuq n PRO 193 N -0.14 0.00 -0.16 -1.68 -0.02 -1.26 -5.06 135.00 126.67 3iuq n PRO 193 Ca -0.06 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.48 3iuq n PRO 193 Cb 0.53 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 34.14 3iuq n PRO 193 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iuq n THR 202 N 0.00 1.52 -1.32 3.45 -2.24 -1.26 -4.20 114.28 110.23 3iuq n THR 202 Ca 0.00 -1.53 0.08 0.00 -2.27 0.00 0.00 64.05 60.33 3iuq n THR 202 Cb 0.00 0.14 0.14 0.00 -2.10 0.00 0.00 70.33 68.51 3iuq n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3iuq n ASP 203 N -0.50 1.96 -4.15 3.42 5.75 -1.26 -4.91 116.55 116.86 3iuq n ASP 203 Ca 0.12 -3.17 -0.39 0.00 -0.01 0.00 0.00 54.79 51.34 3iuq n ASP 203 Cb 0.54 -0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 40.11 3iuq n ASP 203 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3iuq s GLN 204 N -2.64 2.69 0.27 0.11 -0.21 -1.26 -4.06 119.66 114.55 3iuq s GLN 204 Ca 0.31 -2.40 -0.29 0.00 0.02 0.00 0.00 55.36 52.99 3iuq s GLN 204 Cb 0.28 -3.85 -0.10 0.00 1.00 0.00 0.00 33.01 30.34 3iuq s GLN 204 CO -0.00 -1.19 1.27 -1.58 -2.12 0.00 0.00 175.29 171.67 3iuq s HIS 205 N 0.19 3.23 0.11 0.91 2.46 -0.70 -4.62 115.29 116.87 3iuq s HIS 205 Ca 0.15 1.39 0.05 0.00 0.47 0.00 0.00 55.06 57.13 3iuq s HIS 205 Cb -0.19 -3.57 -0.04 0.00 -0.13 0.00 0.00 32.58 28.65 3iuq s HIS 205 CO -0.04 -1.62 -0.13 0.15 -2.47 0.00 0.00 174.74 170.62 3iuq s LYS 206 N -1.04 0.97 -0.18 2.88 1.02 0.11 -4.60 119.74 118.89 3iuq s LYS 206 Ca 0.51 -1.20 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 3iuq s LYS 206 Cb -0.37 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3iuq s LYS 206 CO 0.45 0.16 0.09 0.08 -0.92 0.00 0.00 175.35 175.20 3iuq s VAL 207 N -2.12 5.03 0.21 3.17 1.01 -0.08 -1.46 120.40 126.16 3iuq s VAL 207 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.20 3iuq s VAL 207 Cb -0.05 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3iuq s VAL 207 CO 0.02 0.46 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 3iuq s TYR 208 N 0.27 1.92 -0.19 5.22 2.02 -0.35 0.30 117.35 126.53 3iuq s TYR 208 Ca 0.06 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3iuq s TYR 208 Cb -0.12 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3iuq s TYR 208 CO -0.00 0.45 -0.16 0.12 -1.57 0.00 0.00 175.55 174.39 3iuq s PHE 209 N -2.57 2.85 -0.31 2.71 5.36 -0.35 -1.71 117.98 123.96 3iuq s PHE 209 Ca 0.23 -1.54 -0.15 0.00 -0.96 0.00 0.00 56.93 54.51 3iuq s PHE 209 Cb -0.03 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 3iuq s PHE 209 CO 0.09 -0.76 0.39 -1.58 -1.46 0.00 0.00 175.22 171.90 3iuq s HIS 210 N 1.32 3.22 -0.17 10.12 5.65 0.91 -2.97 115.29 133.37 3iuq s HIS 210 Ca 0.04 0.22 -0.17 0.00 0.25 0.00 0.00 55.06 55.41 3iuq s HIS 210 Cb -0.14 -2.66 -0.04 0.00 -1.18 0.00 0.00 32.58 28.57 3iuq s HIS 210 CO -0.10 -0.34 0.42 0.50 -0.65 0.00 0.00 174.74 174.56 3iuq s ARG 211 N 2.10 4.24 0.36 2.88 3.52 -1.26 -1.23 118.95 129.55 3iuq s ARG 211 Ca 0.14 0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 3iuq s ARG 211 Cb -0.16 -3.49 -0.12 0.00 -1.56 0.00 0.00 34.95 29.63 3iuq s ARG 211 CO 0.11 0.06 1.39 1.28 -0.81 0.00 0.00 175.30 177.33 3iuq n LEU 212 N 4.09 4.11 0.00 -0.88 4.77 -0.60 -2.46 117.00 126.04 3iuq n LEU 212 Ca -0.08 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 3iuq n LEU 212 Cb 0.51 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3iuq n LEU 212 CO 0.41 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3iuq n GLY 213 N 0.67 0.69 3.18 -0.72 0.00 -1.26 -5.00 105.19 102.76 3iuq n GLY 213 Ca 0.03 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 3iuq n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iuq s THR 214 N -2.00 0.58 0.44 2.61 -4.23 -1.03 -5.15 115.64 106.86 3iuq s THR 214 Ca 0.00 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 3iuq s THR 214 Cb 0.00 -1.83 -0.08 0.00 1.34 0.00 0.00 72.50 71.92 3iuq s THR 214 CO 0.00 -0.73 0.89 0.00 -0.54 0.00 0.00 174.62 174.24 3iuq s ALA 215 N -3.71 3.16 0.33 3.99 0.00 -1.26 -4.90 121.76 119.38 3iuq s ALA 215 Ca 0.16 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3iuq s ALA 215 Cb 0.06 -2.98 0.56 0.00 0.00 0.00 0.00 23.12 20.76 3iuq s ALA 215 CO -0.02 -0.00 1.99 0.37 0.00 0.00 0.00 175.76 178.09 3iuq h GLN 216 N 1.45 0.92 0.00 0.00 4.15 -1.95 -1.72 115.11 117.96 3iuq h GLN 216 Ca -0.48 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3iuq h GLN 216 Cb 1.18 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3iuq h GLN 216 CO 0.63 0.62 0.15 1.05 -1.93 0.00 0.00 178.83 179.34 3iuq h GLU 217 N 0.95 0.00 -0.42 1.69 4.11 -1.93 0.17 114.58 119.15 3iuq h GLU 217 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3iuq h GLU 217 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3iuq h GLU 217 CO -0.05 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.78 3iuq n ASP 218 N -2.57 3.27 -4.76 3.06 8.00 -0.65 -4.68 116.55 118.23 3iuq n ASP 218 Ca -0.02 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 3iuq n ASP 218 Cb 0.19 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 3iuq n ASP 218 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3iuq s ASP 219 N -1.16 6.34 0.11 -2.24 1.01 0.05 -4.93 116.67 115.84 3iuq s ASP 219 Ca 0.34 3.01 -0.27 0.00 0.71 0.00 0.00 52.55 56.34 3iuq s ASP 219 Cb 0.19 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 3iuq s ASP 219 CO 0.26 -0.91 0.84 0.00 0.21 0.00 0.00 175.17 175.57 3iuq s ARG 220 N -1.11 4.61 0.06 8.23 1.70 -1.16 -4.81 118.95 126.47 3iuq s ARG 220 Ca 0.60 1.24 -0.31 0.00 -0.47 0.00 0.00 55.73 56.79 3iuq s ARG 220 Cb -0.48 -3.34 -0.06 0.00 -0.57 0.00 0.00 34.95 30.50 3iuq s ARG 220 CO 0.54 0.34 1.29 -1.17 -1.08 0.00 0.00 175.30 175.22 3iuq s LEU 221 N -0.35 4.36 -0.15 -1.89 1.98 -1.26 -1.21 118.68 120.15 3iuq s LEU 221 Ca 0.41 2.12 0.09 0.00 -2.89 0.00 0.00 54.13 53.86 3iuq s LEU 221 Cb -0.22 -3.58 -0.16 0.00 0.66 0.00 0.00 46.19 42.89 3iuq s LEU 221 CO 0.27 -0.58 -0.00 0.52 -1.89 0.00 0.00 176.35 174.66 3iuq n VAL 222 N 4.09 0.96 -3.57 1.68 0.31 0.15 -4.94 118.33 117.01 3iuq n VAL 222 Ca 0.11 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 3iuq n VAL 222 Cb 0.45 -0.76 -0.05 0.00 -0.91 0.00 0.00 33.84 32.56 3iuq n VAL 222 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3iuq s PHE 223 N -2.34 -0.44 0.00 3.52 5.36 -1.14 -4.97 117.98 117.98 3iuq s PHE 223 Ca -0.11 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 3iuq s PHE 223 Cb 0.05 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.16 3iuq s PHE 223 CO 0.52 -0.38 0.00 0.41 -1.46 0.00 0.00 175.22 174.32 3iuq n GLY 224 N 0.94 1.66 0.11 13.12 0.00 -1.26 -0.90 105.19 118.85 3iuq n GLY 224 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3iuq n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuq h ALA 225 N 0.00 0.02 -2.49 4.61 0.00 -1.88 -3.36 119.26 116.16 3iuq h ALA 225 Ca 0.00 -0.80 -0.49 0.00 0.00 0.00 0.00 54.91 53.62 3iuq h ALA 225 Cb 0.00 0.23 0.06 0.00 0.00 0.00 0.00 17.79 18.08 3iuq h ALA 225 CO 0.00 0.45 0.41 0.96 0.00 0.00 0.00 179.25 181.06 3iuq s ILE 226 N -2.40 3.37 0.31 0.00 -4.36 -1.26 -4.87 121.20 111.99 3iuq s ILE 226 Ca -0.17 0.81 0.07 0.00 -0.26 0.00 0.00 60.65 61.09 3iuq s ILE 226 Cb 0.01 -3.31 0.31 0.00 1.25 0.00 0.00 42.46 40.72 3iuq s ILE 226 CO 0.77 -0.23 1.67 -0.65 0.24 0.00 0.00 174.94 176.74 3iuq h PRO 227 N 1.06 0.33 0.00 0.37 0.11 -1.99 0.46 132.00 132.34 3iuq h PRO 227 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iuq h PRO 227 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iuq h PRO 227 CO 0.57 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 3iuq h ALA 228 N 1.77 1.00 -0.35 -0.75 0.00 -1.96 -2.55 119.26 116.43 3iuq h ALA 228 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3iuq h ALA 228 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iuq h ALA 228 CO -0.58 0.00 0.00 1.04 0.00 0.00 0.00 179.25 179.71 3iuq n GLN 229 N -2.63 2.30 -1.91 0.00 6.02 0.14 -4.98 117.38 116.33 3iuq n GLN 229 Ca 0.00 -2.03 -0.42 0.00 -0.01 0.00 0.00 57.00 54.54 3iuq n GLN 229 Cb 0.18 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 3iuq n GLN 229 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3iuq s HIS 230 N -1.11 1.83 0.02 1.08 3.76 -0.96 -4.20 115.29 115.70 3iuq s HIS 230 Ca 0.29 0.03 -0.08 0.00 -0.15 0.00 0.00 55.06 55.14 3iuq s HIS 230 Cb 0.16 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 29.84 3iuq s HIS 230 CO 0.22 -4.32 0.16 -1.01 -0.85 0.00 0.00 174.74 168.93 3iuq s HIS 231 N 4.02 0.06 0.27 1.40 3.76 -1.26 -5.05 115.29 118.49 3iuq s HIS 231 Ca 0.77 -0.21 0.10 0.00 -0.15 0.00 0.00 55.06 55.58 3iuq s HIS 231 Cb -0.36 -0.05 0.36 0.00 1.11 0.00 0.00 32.58 33.64 3iuq s HIS 231 CO 0.33 -0.34 1.62 -0.09 -0.85 0.00 0.00 174.74 175.40 3iuq h ARG 232 N 3.93 0.02 -3.65 1.40 2.43 -1.62 -1.87 114.38 115.02 3iuq h ARG 232 Ca -0.31 -0.02 -0.37 0.00 -0.81 0.00 0.00 59.98 58.47 3iuq h ARG 232 Cb 1.19 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.39 3iuq h ARG 232 CO 0.44 0.62 -0.75 0.71 -1.51 0.00 0.00 179.97 179.48 3iuq s TYR 233 N -3.65 0.34 0.05 2.20 2.02 0.33 -4.23 117.35 114.41 3iuq s TYR 233 Ca -0.02 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.73 3iuq s TYR 233 Cb 0.13 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.17 3iuq s TYR 233 CO 0.76 -0.18 -0.12 0.14 -1.57 0.00 0.00 175.55 174.59 3iuq s VAL 234 N 1.39 0.89 0.06 0.71 -7.23 -1.26 -0.36 120.40 114.60 3iuq s VAL 234 Ca -0.05 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 3iuq s VAL 234 Cb -0.13 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 3iuq s VAL 234 CO -0.03 -0.21 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.67 3iuq s GLY 235 N -1.47 0.52 -0.01 2.32 0.00 -0.38 -4.83 107.32 103.48 3iuq s GLY 235 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.68 3iuq s GLY 235 CO 0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 173.10 171.98 3iuq s ALA 236 N -2.68 0.32 -0.03 3.20 0.00 -1.26 -1.06 121.76 120.26 3iuq s ALA 236 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 3iuq s ALA 236 Cb -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3iuq s ALA 236 CO -0.04 0.06 0.07 0.99 0.00 0.00 0.00 175.76 176.84 3iuq s THR 237 N 0.06 -0.02 -0.15 0.00 2.01 -0.49 -4.55 115.64 112.49 3iuq s THR 237 Ca -0.00 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 3iuq s THR 237 Cb -0.03 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 3iuq s THR 237 CO -0.00 0.04 0.00 -0.69 -0.69 0.00 0.00 174.62 173.28 3iuq s VAL 238 N 0.53 4.28 0.73 3.82 1.01 -1.26 -0.49 120.40 129.01 3iuq s VAL 238 Ca -0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3iuq s VAL 238 Cb -0.06 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.48 3iuq s VAL 238 CO -0.02 0.51 1.22 0.42 0.00 0.00 0.00 175.10 177.23 3iuq s THR 239 N 0.10 2.20 0.29 3.92 -4.23 -0.27 -4.86 115.64 112.80 3iuq s THR 239 Ca 0.02 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 3iuq s THR 239 Cb -0.13 -2.72 0.28 0.00 1.34 0.00 0.00 72.50 71.28 3iuq s THR 239 CO 0.02 -0.05 1.74 -0.08 -0.54 0.00 0.00 174.62 175.71 3iuq h GLU 240 N -0.26 0.57 -0.17 3.99 4.81 -1.96 0.22 114.58 121.79 3iuq h GLU 240 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3iuq h GLU 240 Cb 1.30 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3iuq h GLU 240 CO 0.50 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.76 3iuq n ASP 241 N -4.89 0.93 -1.99 1.04 5.75 -1.26 -4.90 116.55 111.24 3iuq n ASP 241 Ca 0.22 -1.99 -0.20 0.00 -0.01 0.00 0.00 54.79 52.80 3iuq n ASP 241 Cb 0.59 -0.12 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 3iuq n ASP 241 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3iuq n ASP 242 N 0.01 -5.58 -0.01 -1.12 8.00 0.77 -4.90 116.55 113.71 3iuq n ASP 242 Ca 0.06 0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 3iuq n ASP 242 Cb 0.15 -4.79 -0.14 0.00 -0.02 0.00 0.00 41.12 36.32 3iuq n ASP 242 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3iuq h ARG 243 N 0.00 0.07 -4.97 -1.24 3.08 -1.91 -3.44 114.38 105.97 3iuq h ARG 243 Ca -0.45 -0.12 -0.38 0.00 0.07 0.00 0.00 59.98 59.10 3iuq h ARG 243 Cb 1.34 0.05 -0.24 0.00 0.08 0.00 0.00 29.97 31.20 3iuq h ARG 243 CO 0.59 0.69 -0.77 -0.06 -1.07 0.00 0.00 179.97 179.35 3iuq s PHE 244 N -2.59 0.97 -0.17 3.04 0.08 -1.26 -0.24 117.98 117.80 3iuq s PHE 244 Ca -0.09 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 3iuq s PHE 244 Cb 0.08 -0.58 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 3iuq s PHE 244 CO 0.81 -0.00 -0.02 -1.17 -0.10 0.00 0.00 175.22 174.74 3iuq s LEU 245 N -1.14 3.28 -0.15 -0.37 2.96 -0.51 -1.11 118.68 121.65 3iuq s LEU 245 Ca -0.02 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3iuq s LEU 245 Cb -0.08 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3iuq s LEU 245 CO 0.01 0.14 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.29 3iuq s LEU 246 N 0.57 2.64 -0.18 -0.68 2.01 0.35 -1.16 118.68 122.25 3iuq s LEU 246 Ca -0.02 -0.39 -0.01 0.00 0.01 0.00 0.00 54.13 53.72 3iuq s LEU 246 Cb -0.14 -1.61 -0.00 0.00 0.01 0.00 0.00 46.19 44.44 3iuq s LEU 246 CO 0.02 0.10 -0.12 -0.63 1.01 0.00 0.00 176.35 176.74 3iuq s ILE 247 N 0.71 2.92 0.06 -0.59 -1.09 0.19 -1.39 121.20 122.00 3iuq s ILE 247 Ca -0.06 -0.67 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 3iuq s ILE 247 Cb -0.15 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 3iuq s ILE 247 CO 0.02 0.49 0.04 -0.94 -1.23 0.00 0.00 174.94 173.32 3iuq s SER 248 N 1.00 5.31 -0.05 3.58 1.04 -0.22 0.03 113.70 124.39 3iuq s SER 248 Ca -0.01 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 3iuq s SER 248 Cb -0.15 -1.38 0.03 0.00 0.10 0.00 0.00 66.02 64.62 3iuq s SER 248 CO -0.02 0.20 0.10 0.00 0.98 0.00 0.00 173.24 174.50 3iuq s ALA 249 N -1.30 -0.19 0.11 5.32 0.00 -0.70 -1.25 121.76 123.74 3iuq s ALA 249 Ca 0.26 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 3iuq s ALA 249 Cb -0.12 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3iuq s ALA 249 CO 0.18 -0.10 0.35 0.00 0.00 0.00 0.00 175.76 176.19 3iuq s ALA 250 N 0.70 -0.78 -0.06 0.00 0.00 0.52 0.56 121.76 122.69 3iuq s ALA 250 Ca -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3iuq s ALA 250 Cb -0.07 0.60 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 3iuq s ALA 250 CO -0.03 -0.59 0.13 0.09 0.00 0.00 0.00 175.76 175.37 3iuq n ASN 251 N -0.08 2.96 -3.00 0.00 5.03 -1.26 -0.51 115.26 118.39 3iuq n ASN 251 Ca -0.16 -0.15 -0.17 0.00 0.87 0.00 0.00 54.58 54.96 3iuq n ASN 251 Cb 0.63 1.17 -0.06 0.00 -1.02 0.00 0.00 39.78 40.50 3iuq n ASN 251 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3iuq n SER 252 N -1.53 0.26 0.04 6.41 2.88 -1.26 -4.64 113.62 115.77 3iuq n SER 252 Ca -0.00 -2.68 0.10 0.00 -1.33 0.00 0.00 58.87 54.96 3iuq n SER 252 Cb 0.12 1.06 0.44 0.00 -0.75 0.00 0.00 64.21 65.07 3iuq n SER 252 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3iuq n THR 253 N -0.59 0.67 -4.29 2.46 -2.24 -0.95 -4.71 114.28 104.63 3iuq n THR 253 Ca 0.01 0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.74 3iuq n THR 253 Cb 0.47 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 3iuq n THR 253 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3iuq s SER 254 N -3.43 1.00 0.00 3.42 0.01 -1.26 -5.06 113.70 108.38 3iuq s SER 254 Ca 0.09 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3iuq s SER 254 Cb 0.12 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3iuq s SER 254 CO 0.40 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.72 3iuq n GLY 255 N 2.64 -0.68 3.37 3.44 0.00 -1.26 -4.90 105.19 107.79 3iuq n GLY 255 Ca -0.15 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 3iuq n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iuq s ASN 256 N -0.53 -0.40 0.48 1.61 4.22 -0.97 -4.56 114.94 114.79 3iuq s ASN 256 Ca 0.00 0.34 -0.01 0.00 -2.14 0.00 0.00 52.86 51.04 3iuq s ASN 256 Cb 0.00 0.43 -0.00 0.00 1.28 0.00 0.00 41.25 42.95 3iuq s ASN 256 CO 0.00 -0.55 0.73 -0.13 -2.04 0.00 0.00 177.10 175.10 3iuq s ARG 257 N -1.47 3.07 -0.11 3.55 0.52 0.19 -4.62 118.95 120.09 3iuq s ARG 257 Ca -0.11 -0.33 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 3iuq s ARG 257 Cb -0.02 -2.49 0.04 0.00 0.52 0.00 0.00 34.95 33.00 3iuq s ARG 257 CO 0.05 -0.35 0.27 -1.17 0.02 0.00 0.00 175.30 174.12 3iuq s LEU 258 N -4.66 0.66 0.09 2.53 2.96 0.28 -1.72 118.68 118.82 3iuq s LEU 258 Ca 0.49 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 3iuq s LEU 258 Cb -0.10 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.42 3iuq s LEU 258 CO 0.40 -0.13 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.82 3iuq s TYR 259 N 0.71 1.48 0.01 5.38 2.02 0.10 -0.64 117.35 126.42 3iuq s TYR 259 Ca -0.05 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 56.25 3iuq s TYR 259 Cb -0.06 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 3iuq s TYR 259 CO -0.04 0.13 -0.14 0.54 -1.57 0.00 0.00 175.55 174.46 3iuq s VAL 260 N -1.26 1.11 -0.08 0.71 0.11 0.33 -0.64 120.40 120.68 3iuq s VAL 260 Ca 0.02 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 3iuq s VAL 260 Cb -0.10 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 3iuq s VAL 260 CO 0.03 0.20 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.18 3iuq s LYS 261 N -0.62 1.30 -0.23 1.54 2.20 -0.31 -0.29 119.74 123.33 3iuq s LYS 261 Ca 0.04 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 3iuq s LYS 261 Cb -0.06 -1.30 -0.00 0.00 -1.51 0.00 0.00 37.83 34.96 3iuq s LYS 261 CO 0.00 -0.15 1.24 0.34 -0.36 0.00 0.00 175.35 176.41 3iuq s ASP 262 N 1.30 6.87 0.00 1.43 -1.08 -1.26 -1.42 116.67 122.51 3iuq s ASP 262 Ca -0.04 1.44 0.28 0.00 -0.52 0.00 0.00 52.55 53.71 3iuq s ASP 262 Cb -0.14 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.78 3iuq s ASP 262 CO -0.03 -0.87 1.72 0.18 0.52 0.00 0.00 175.17 176.69 3iuq n LEU 263 N 6.95 0.96 0.09 -1.34 4.77 0.67 -3.61 117.00 125.49 3iuq n LEU 263 Ca 0.14 -0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3iuq n LEU 263 Cb 0.46 -0.10 0.15 0.00 -2.33 0.00 0.00 43.42 41.60 3iuq n LEU 263 CO 0.58 0.17 0.36 0.77 -1.33 0.00 0.00 177.39 177.95 3iuq h SER 264 N 1.28 0.00 -2.87 -1.43 4.64 -1.85 -3.46 113.55 109.86 3iuq h SER 264 Ca 0.00 -0.12 -0.53 0.00 -0.47 0.00 0.00 61.79 60.67 3iuq h SER 264 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3iuq h SER 264 CO 0.00 0.06 -0.30 -1.10 -0.87 0.00 0.00 176.83 174.62 3iuq s GLN 265 N -3.21 3.53 -0.23 4.77 -0.21 -1.24 -5.06 119.66 118.01 3iuq s GLN 265 Ca 0.05 -0.31 -0.26 0.00 0.02 0.00 0.00 55.36 54.87 3iuq s GLN 265 Cb 0.11 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 31.32 3iuq s GLN 265 CO 0.72 0.36 0.88 -1.21 -2.12 0.00 0.00 175.29 173.93 3iuq s GLU 266 N -3.43 4.22 -1.29 2.91 2.02 -1.26 -4.04 118.70 117.83 3iuq s GLU 266 Ca 0.39 1.06 -0.01 0.00 0.02 0.00 0.00 54.97 56.44 3iuq s GLU 266 Cb -0.11 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.49 3iuq s GLU 266 CO 0.29 -0.52 0.73 0.09 0.02 0.00 0.00 175.26 175.87 3iuq n ASN 267 N 5.97 -1.45 -4.77 -0.19 5.03 -1.26 -4.93 115.26 113.66 3iuq n ASN 267 Ca 0.07 -0.81 -0.36 0.00 0.87 0.00 0.00 54.58 54.35 3iuq n ASN 267 Cb 0.47 -4.14 -0.01 0.00 -1.02 0.00 0.00 39.78 35.08 3iuq n ASN 267 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iuq s ALA 268 N -3.64 2.90 0.56 5.41 0.00 -1.26 -5.03 121.76 120.71 3iuq s ALA 268 Ca 0.02 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 3iuq s ALA 268 Cb -0.01 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3iuq s ALA 268 CO 0.81 -0.69 0.90 -1.25 0.00 0.00 0.00 175.76 175.52 3iuq s PRO 269 N -2.86 3.27 0.07 0.00 0.04 -1.26 -4.85 135.00 129.41 3iuq s PRO 269 Ca 0.66 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 3iuq s PRO 269 Cb -0.27 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3iuq s PRO 269 CO 0.33 -0.52 1.08 -0.51 0.04 0.00 0.00 177.00 177.41 3iuq s LEU 270 N -4.96 4.41 0.08 -3.56 1.43 -1.26 -4.55 118.68 110.27 3iuq s LEU 270 Ca 0.52 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.56 3iuq s LEU 270 Cb -0.11 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3iuq s LEU 270 CO 0.47 -0.29 -0.02 -0.76 0.23 0.00 0.00 176.35 175.97 3iuq s LEU 271 N 0.58 3.37 -0.39 1.79 1.02 0.60 -4.93 118.68 120.72 3iuq s LEU 271 Ca 0.53 -0.20 -0.19 0.00 0.02 0.00 0.00 54.13 54.28 3iuq s LEU 271 Cb -0.26 -2.09 0.01 0.00 0.02 0.00 0.00 46.19 43.87 3iuq s LEU 271 CO 0.30 0.19 0.58 -0.89 0.02 0.00 0.00 176.35 176.55 3iuq s THR 272 N -1.26 4.93 -0.02 5.49 2.01 -1.26 -0.51 115.64 125.02 3iuq s THR 272 Ca 0.24 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 3iuq s THR 272 Cb -0.12 -4.09 -0.33 0.00 0.01 0.00 0.00 72.50 67.98 3iuq s THR 272 CO 0.16 -0.41 0.94 0.58 -0.69 0.00 0.00 174.62 175.20 3iuq h VAL 273 N 5.74 1.43 -2.79 3.82 2.07 -1.09 -3.32 116.25 122.11 3iuq h VAL 273 Ca -0.26 -2.59 -0.19 0.00 0.82 0.00 0.00 66.70 64.48 3iuq h VAL 273 Cb 1.11 3.14 -0.31 0.00 -1.52 0.00 0.00 31.29 33.70 3iuq h VAL 273 CO 0.83 0.75 -0.49 -1.58 0.02 0.00 0.00 177.57 177.10 3iuq s GLN 274 N -2.51 0.19 0.00 1.57 0.74 -0.86 -3.38 119.66 115.41 3iuq s GLN 274 Ca -0.12 0.81 0.23 0.00 0.05 0.00 0.00 55.36 56.34 3iuq s GLN 274 Cb 0.02 0.05 0.34 0.00 1.10 0.00 0.00 33.01 34.51 3iuq s GLN 274 CO 0.87 -0.28 1.35 0.41 -0.55 0.00 0.00 175.29 177.09 3iuq n GLY 275 N 5.35 1.46 3.61 2.59 0.00 -1.26 -0.55 105.19 116.39 3iuq n GLY 275 Ca -0.07 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 3iuq n GLY 275 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iuq s ASP 276 N -1.67 3.49 -0.24 1.61 1.47 -1.26 -4.97 116.67 115.10 3iuq s ASP 276 Ca 0.35 -1.48 0.14 0.00 1.18 0.00 0.00 52.55 52.73 3iuq s ASP 276 Cb 0.22 0.02 0.67 0.00 -0.34 0.00 0.00 42.92 43.49 3iuq s ASP 276 CO 0.31 -0.65 1.61 0.18 0.68 0.00 0.00 175.17 177.30 3iuq n LEU 277 N -0.98 4.97 -0.08 2.11 4.77 -1.26 -3.98 117.00 122.55 3iuq n LEU 277 Ca -0.08 -3.09 0.08 0.00 -0.03 0.00 0.00 56.01 52.88 3iuq n LEU 277 Cb 0.67 -0.64 0.44 0.00 -2.33 0.00 0.00 43.42 41.56 3iuq n LEU 277 CO 0.43 0.73 0.79 0.47 -1.33 0.00 0.00 177.39 178.48 3iuq n ASP 278 N -0.13 0.22 -3.53 -1.43 8.00 -1.26 -4.42 116.55 114.01 3iuq n ASP 278 Ca 0.28 -1.55 -0.07 0.00 0.71 0.00 0.00 54.79 54.16 3iuq n ASP 278 Cb 1.11 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 42.17 3iuq n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iuq s ALA 279 N -1.97 -1.86 -0.10 2.24 0.00 -1.26 -4.91 121.76 113.89 3iuq s ALA 279 Ca 0.24 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 3iuq s ALA 279 Cb 0.11 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3iuq s ALA 279 CO 0.19 -0.69 0.24 -0.51 0.00 0.00 0.00 175.76 174.99 3iuq s ASP 280 N -2.45 6.50 -0.12 0.00 1.01 -1.26 -2.30 116.67 118.05 3iuq s ASP 280 Ca 0.06 0.59 -0.05 0.00 0.71 0.00 0.00 52.55 53.86 3iuq s ASP 280 Cb -0.01 -2.14 0.05 0.00 1.01 0.00 0.00 42.92 41.83 3iuq s ASP 280 CO -0.08 0.31 0.26 0.54 0.21 0.00 0.00 175.17 176.42 3iuq s VAL 281 N -0.67 -0.13 0.06 -1.27 0.11 -1.26 -1.96 120.40 115.29 3iuq s VAL 281 Ca 0.17 0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 3iuq s VAL 281 Cb -0.13 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 3iuq s VAL 281 CO 0.06 0.07 -0.07 -0.94 -3.33 0.00 0.00 175.10 170.89 3iuq s SER 282 N 1.54 0.91 0.19 3.54 1.04 0.13 -4.91 113.70 116.12 3iuq s SER 282 Ca -0.07 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.39 3iuq s SER 282 Cb -0.11 0.05 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3iuq s SER 282 CO -0.09 -0.28 1.17 -0.22 0.98 0.00 0.00 173.24 174.80 3iuq s LEU 283 N -1.95 4.46 -0.20 2.42 2.96 -1.26 -0.71 118.68 124.40 3iuq s LEU 283 Ca -0.05 2.19 -0.10 0.00 -0.22 0.00 0.00 54.13 55.96 3iuq s LEU 283 Cb -0.06 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 3iuq s LEU 283 CO -0.01 -0.32 -0.25 0.52 -1.32 0.00 0.00 176.35 174.97 3iuq n VAL 284 N 2.41 1.07 -3.93 1.68 0.31 0.19 -4.87 118.33 115.18 3iuq n VAL 284 Ca 0.04 -0.27 0.01 0.00 -0.01 0.00 0.00 64.34 64.10 3iuq n VAL 284 Cb 0.45 -1.76 0.01 0.00 -0.91 0.00 0.00 33.84 31.64 3iuq n VAL 284 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3iuq n ASP 285 N -3.86 -1.07 -4.13 4.52 2.03 -1.18 -4.89 116.55 107.97 3iuq n ASP 285 Ca -0.38 -1.35 -0.10 0.00 0.52 0.00 0.00 54.79 53.48 3iuq n ASP 285 Cb 0.77 1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 42.76 3iuq n ASP 285 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3iuq s ASN 286 N -3.17 0.93 -0.27 1.67 4.22 -1.26 -0.34 114.94 116.72 3iuq s ASN 286 Ca 0.22 -0.89 -0.04 0.00 -2.14 0.00 0.00 52.86 50.01 3iuq s ASN 286 Cb -0.01 0.10 0.09 0.00 1.28 0.00 0.00 41.25 42.71 3iuq s ASN 286 CO 0.01 -0.43 0.12 -0.75 -2.04 0.00 0.00 177.10 174.01 3iuq s LYS 287 N -3.30 0.18 6.40 3.55 2.36 -0.34 -4.98 119.74 123.62 3iuq s LYS 287 Ca 0.05 -0.46 0.00 0.00 -2.55 0.00 0.00 55.97 53.02 3iuq s LYS 287 Cb 0.02 -1.30 0.00 0.00 -1.05 0.00 0.00 37.83 35.50 3iuq s LYS 287 CO -0.04 -0.95 0.00 0.41 1.55 0.00 0.00 175.35 176.31 3iuq n GLY 288 N 5.25 1.66 0.97 5.54 0.00 -1.26 -1.80 105.19 115.56 3iuq n GLY 288 Ca -0.06 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.55 3iuq n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iuq n SER 289 N 5.36 2.84 -4.67 1.61 3.41 -1.26 -4.88 113.62 116.03 3iuq n SER 289 Ca 0.00 -1.98 -0.39 0.00 -0.26 0.00 0.00 58.87 56.24 3iuq n SER 289 Cb 0.00 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 3iuq n SER 289 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3iuq s THR 290 N -1.33 5.16 -0.02 6.66 2.01 -0.74 -0.51 115.64 126.87 3iuq s THR 290 Ca 0.36 0.84 -0.14 0.00 0.31 0.00 0.00 61.69 63.06 3iuq s THR 290 Cb 0.19 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 3iuq s THR 290 CO 0.25 0.23 0.38 -0.76 -0.69 0.00 0.00 174.62 174.03 3iuq s LEU 291 N 1.35 4.45 -0.22 4.42 1.43 0.42 -1.20 118.68 129.35 3iuq s LEU 291 Ca 0.22 0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 54.17 3iuq s LEU 291 Cb -0.15 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3iuq s LEU 291 CO 0.09 0.31 -0.02 -0.31 0.23 0.00 0.00 176.35 176.65 3iuq s TYR 292 N -0.94 2.99 -0.01 0.29 2.02 0.54 -2.09 117.35 120.16 3iuq s TYR 292 Ca 0.23 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 3iuq s TYR 292 Cb -0.16 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 3iuq s TYR 292 CO 0.12 -0.42 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.03 3iuq s LEU 293 N 1.33 2.03 -0.19 -1.29 1.43 0.16 -0.64 118.68 121.51 3iuq s LEU 293 Ca 0.04 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3iuq s LEU 293 Cb -0.14 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 3iuq s LEU 293 CO -0.00 0.17 0.22 -0.22 0.23 0.00 0.00 176.35 176.74 3iuq s LEU 294 N -0.33 4.21 0.00 1.79 2.96 0.11 -0.45 118.68 126.96 3iuq s LEU 294 Ca 0.05 0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 54.13 3iuq s LEU 294 Cb -0.05 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.43 3iuq s LEU 294 CO -0.00 0.11 0.38 0.28 -1.32 0.00 0.00 176.35 175.79 3iuq s THR 295 N 0.58 0.05 -1.40 3.68 -1.32 -0.55 -0.70 115.64 115.99 3iuq s THR 295 Ca 0.12 -0.44 0.17 0.00 -1.21 0.00 0.00 61.69 60.33 3iuq s THR 295 Cb -0.12 -0.79 0.51 0.00 -1.51 0.00 0.00 72.50 70.59 3iuq s THR 295 CO 0.02 -0.24 1.42 -0.46 -2.21 0.00 0.00 174.62 173.15 3iuq n ASN 296 N 0.95 3.60 -4.67 8.08 0.23 -0.83 -1.25 115.26 121.37 3iuq n ASN 296 Ca -0.20 -2.07 -0.42 0.00 -0.53 0.00 0.00 54.58 51.36 3iuq n ASN 296 Cb 0.57 -0.39 -0.03 0.00 -2.08 0.00 0.00 39.78 37.86 3iuq n ASN 296 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3iuq s ARG 297 N -1.13 4.20 -1.46 -3.83 3.52 -1.26 -1.89 118.95 117.09 3iuq s ARG 297 Ca 0.38 2.19 -0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3iuq s ARG 297 Cb 0.21 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3iuq s ARG 297 CO 0.25 -0.79 0.02 -0.25 -0.81 0.00 0.00 175.30 173.72 3iuq n ASP 298 N 6.57 -5.04 -3.02 -2.12 8.00 -1.26 -4.90 116.55 114.77 3iuq n ASP 298 Ca 0.16 0.06 -0.00 0.00 0.71 0.00 0.00 54.79 55.72 3iuq n ASP 298 Cb 0.42 -4.22 -0.00 0.00 -0.02 0.00 0.00 41.12 37.30 3iuq n ASP 298 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iuq s ALA 299 N -2.86 -2.65 0.50 2.24 0.00 -0.79 -5.04 121.76 113.16 3iuq s ALA 299 Ca 0.01 0.20 0.27 0.00 0.00 0.00 0.00 51.96 52.44 3iuq s ALA 299 Cb -0.01 -2.78 1.36 0.00 0.00 0.00 0.00 23.12 21.69 3iuq s ALA 299 CO 0.02 -2.27 1.90 -1.35 0.00 0.00 0.00 175.76 174.06 3iuq h PRO 300 N 6.19 0.11 -0.66 0.00 0.11 -1.91 0.14 132.00 135.98 3iuq h PRO 300 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3iuq h PRO 300 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3iuq h PRO 300 CO 0.05 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.00 3iuq n ASN 301 N -4.36 3.63 -0.90 -2.05 3.02 -1.26 -0.70 115.26 112.64 3iuq n ASN 301 Ca 0.17 -2.00 0.05 0.00 -0.03 0.00 0.00 54.58 52.77 3iuq n ASN 301 Cb 0.82 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 3iuq n ASN 301 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3iuq n ARG 302 N 1.49 -2.26 -3.95 3.52 1.74 0.51 -1.36 116.66 116.36 3iuq n ARG 302 Ca 0.23 1.79 -0.10 0.00 -0.77 0.00 0.00 57.85 59.00 3iuq n ARG 302 Cb 0.58 -2.37 -0.07 0.00 -1.02 0.00 0.00 32.46 29.58 3iuq n ARG 302 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3iuq s ARG 303 N -4.38 1.19 -0.21 5.56 1.70 -0.38 -4.25 118.95 118.18 3iuq s ARG 303 Ca 0.00 -1.16 -0.03 0.00 -0.47 0.00 0.00 55.73 54.07 3iuq s ARG 303 Cb 0.00 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 3iuq s ARG 303 CO 0.00 -0.45 -0.06 -1.17 -1.08 0.00 0.00 175.30 172.55 3iuq s LEU 304 N -2.96 2.88 0.31 -1.89 2.96 -0.47 -1.48 118.68 118.03 3iuq s LEU 304 Ca 0.17 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 53.81 3iuq s LEU 304 Cb 0.03 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3iuq s LEU 304 CO 0.00 0.01 -0.07 0.68 -1.32 0.00 0.00 176.35 175.66 3iuq s VAL 305 N 1.28 2.72 0.17 1.68 -7.23 0.40 0.38 120.40 119.80 3iuq s VAL 305 Ca 0.03 -2.12 0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3iuq s VAL 305 Cb -0.14 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3iuq s VAL 305 CO -0.02 -0.30 -0.18 0.42 -0.31 0.00 0.00 175.10 174.71 3iuq s THR 306 N -2.48 1.80 -0.08 5.32 -4.23 0.51 -0.67 115.64 115.80 3iuq s THR 306 Ca 0.32 -1.95 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 3iuq s THR 306 Cb -0.03 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 72.05 3iuq s THR 306 CO 0.18 -0.35 0.80 0.54 -0.54 0.00 0.00 174.62 175.25 3iuq s VAL 307 N -2.16 0.00 0.02 2.29 0.11 -0.89 -1.09 120.40 118.68 3iuq s VAL 307 Ca 0.16 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 3iuq s VAL 307 Cb -0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 3iuq s VAL 307 CO 0.07 0.00 1.05 -0.62 -3.33 0.00 0.00 175.10 172.26 3iuq s ASP 308 N -1.24 7.28 0.66 3.54 2.15 -1.26 -0.43 116.67 127.37 3iuq s ASP 308 Ca -0.07 1.77 0.30 0.00 0.43 0.00 0.00 52.55 54.98 3iuq s ASP 308 Cb -0.00 -2.57 1.64 0.00 -0.30 0.00 0.00 42.92 41.68 3iuq s ASP 308 CO 0.06 -0.32 1.93 0.00 -0.17 0.00 0.00 175.17 176.67 3iuq h ALA 309 N 6.78 1.41 -0.01 3.66 0.00 -1.15 -1.75 119.26 128.20 3iuq h ALA 309 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iuq h ALA 309 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iuq h ALA 309 CO 0.77 -0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 3iuq n ALA 310 N -1.94 2.66 -2.70 0.00 0.00 -1.26 -4.23 120.51 113.03 3iuq n ALA 310 Ca -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 3iuq n ALA 310 Cb 0.40 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.59 3iuq n ALA 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iuq n ASN 311 N -0.47 -1.94 -0.62 0.00 5.15 -0.68 -5.06 115.26 111.65 3iuq n ASN 311 Ca 0.20 -2.55 0.02 0.00 -0.60 0.00 0.00 54.58 51.65 3iuq n ASN 311 Cb 0.25 1.32 0.09 0.00 -0.53 0.00 0.00 39.78 40.91 3iuq n ASN 311 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3iuq n PRO 312 N 1.22 1.74 -1.49 1.20 -0.04 -1.07 -4.54 135.00 132.01 3iuq n PRO 312 Ca 0.03 -0.75 -0.34 0.00 -0.04 0.00 0.00 63.50 62.40 3iuq n PRO 312 Cb 0.69 -1.43 0.09 0.00 -0.04 0.00 0.00 33.50 32.80 3iuq n PRO 312 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3iuq s GLY 313 N -0.58 2.34 0.41 0.55 0.00 -1.25 -4.43 107.32 104.36 3iuq s GLY 313 Ca 0.13 0.85 0.19 0.00 0.00 0.00 0.00 44.72 45.89 3iuq s GLY 313 CO 0.06 1.25 1.80 -2.55 0.00 0.00 0.00 173.10 173.66 3iuq h PRO 314 N -0.22 0.36 0.00 2.90 0.11 -1.87 -0.19 132.00 133.09 3iuq h PRO 314 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iuq h PRO 314 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iuq h PRO 314 CO 0.50 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3iuq h ALA 315 N 1.60 1.00 -0.02 -0.75 0.00 -1.93 -2.69 119.26 116.47 3iuq h ALA 315 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3iuq h ALA 315 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3iuq h ALA 315 CO -0.24 0.00 -0.13 0.72 0.00 0.00 0.00 179.25 179.60 3iuq n HIS 316 N -2.32 0.00 -2.02 0.00 8.25 -0.09 -4.99 115.22 114.06 3iuq n HIS 316 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3iuq n HIS 316 Cb 0.17 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 3iuq n HIS 316 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3iuq s TRP 317 N -1.62 2.91 -0.04 4.41 0.51 -1.02 -4.77 118.94 119.33 3iuq s TRP 317 Ca 0.17 1.34 0.03 0.00 -2.12 0.00 0.00 56.10 55.53 3iuq s TRP 317 Cb 0.14 -3.78 0.00 0.00 -0.81 0.00 0.00 33.47 29.01 3iuq s TRP 317 CO 0.29 -2.21 -0.14 0.50 -0.51 0.00 0.00 176.95 174.89 3iuq s ARG 318 N -1.87 1.50 0.27 4.98 3.52 -0.25 -4.94 118.95 122.16 3iuq s ARG 318 Ca 0.50 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 55.32 3iuq s ARG 318 Cb -0.42 -1.32 -0.12 0.00 -1.56 0.00 0.00 34.95 31.54 3iuq s ARG 318 CO 0.56 0.16 1.64 -0.51 -0.81 0.00 0.00 175.30 176.34 3iuq s ASP 319 N 0.20 6.37 -0.15 -2.12 1.01 -1.26 -0.36 116.67 120.35 3iuq s ASP 319 Ca -0.06 2.93 -0.04 0.00 0.71 0.00 0.00 52.55 56.09 3iuq s ASP 319 Cb -0.11 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.12 3iuq s ASP 319 CO 0.02 -0.94 -0.17 -0.11 0.21 0.00 0.00 175.17 174.18 3iuq n LEU 320 N 2.76 1.83 -3.77 1.23 7.94 0.16 -4.83 117.00 122.33 3iuq n LEU 320 Ca 0.11 0.08 -0.30 0.00 -1.11 0.00 0.00 56.01 54.79 3iuq n LEU 320 Cb 0.37 -0.47 -0.14 0.00 0.53 0.00 0.00 43.42 43.70 3iuq n LEU 320 CO 0.64 0.49 -0.30 -0.63 -1.11 0.00 0.00 177.39 176.47 3iuq s ILE 321 N -2.29 1.26 0.85 1.96 1.01 -0.46 -4.77 121.20 118.77 3iuq s ILE 321 Ca -0.21 -1.94 -0.14 0.00 0.00 0.00 0.00 60.65 58.37 3iuq s ILE 321 Cb 0.07 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.65 3iuq s ILE 321 CO 0.30 -0.74 0.70 -2.65 0.00 0.00 0.00 174.94 172.54 3iuq n PRO 322 N 4.30 -0.03 -2.01 2.79 -0.02 -1.26 -1.37 135.00 137.41 3iuq n PRO 322 Ca 0.02 0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 3iuq n PRO 322 Cb 0.39 -2.04 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3iuq n PRO 322 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3iuq s GLU 323 N -3.61 3.33 0.25 -0.52 2.12 -1.26 -4.81 118.70 114.21 3iuq s GLU 323 Ca 0.64 1.98 0.02 0.00 0.36 0.00 0.00 54.97 57.97 3iuq s GLU 323 Cb -0.27 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 3iuq s GLU 323 CO 0.60 -0.96 0.07 0.54 -0.54 0.00 0.00 175.26 174.97 3iuq n ARG 324 N -0.95 0.84 0.13 4.30 1.74 -1.26 -5.03 116.66 116.43 3iuq n ARG 324 Ca 0.10 -2.08 0.13 0.00 -0.77 0.00 0.00 57.85 55.23 3iuq n ARG 324 Cb 0.47 1.00 0.47 0.00 -1.02 0.00 0.00 32.46 33.38 3iuq n ARG 324 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3iuq h GLN 325 N 0.00 0.00 -6.35 5.56 1.08 -1.97 -3.44 115.11 109.99 3iuq h GLN 325 Ca -0.20 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.38 3iuq h GLN 325 Cb 0.73 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.04 3iuq h GLN 325 CO 0.32 0.00 -0.66 -0.65 -0.95 0.00 0.00 178.83 176.89 3iuq s GLN 326 N -3.26 2.44 0.18 1.46 1.11 -1.26 -5.00 119.66 115.33 3iuq s GLN 326 Ca 0.06 -1.01 -0.31 0.00 0.01 0.00 0.00 55.36 54.11 3iuq s GLN 326 Cb 0.10 -2.42 -0.09 0.00 -1.01 0.00 0.00 33.01 29.59 3iuq s GLN 326 CO 0.47 0.48 1.45 0.08 0.01 0.00 0.00 175.29 177.79 3iuq s VAL 327 N -1.57 2.88 -0.12 1.09 1.01 -1.26 -4.80 120.40 117.63 3iuq s VAL 327 Ca 0.27 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 3iuq s VAL 327 Cb -0.10 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3iuq s VAL 327 CO 0.18 0.07 0.09 -0.22 0.00 0.00 0.00 175.10 175.22 3iuq s LEU 328 N 0.57 4.07 -0.01 3.92 2.96 -0.46 -2.04 118.68 127.69 3iuq s LEU 328 Ca 0.64 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3iuq s LEU 328 Cb -0.41 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3iuq s LEU 328 CO 0.35 0.37 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.78 3iuq s THR 329 N -0.78 0.57 -0.10 3.68 2.01 -0.38 -4.84 115.64 115.80 3iuq s THR 329 Ca 0.13 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3iuq s THR 329 Cb -0.12 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 71.93 3iuq s THR 329 CO 0.03 0.16 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.29 3iuq s VAL 330 N -0.17 1.37 0.17 3.82 1.01 -1.26 0.11 120.40 125.45 3iuq s VAL 330 Ca 0.03 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3iuq s VAL 330 Cb -0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3iuq s VAL 330 CO -0.00 0.42 -0.06 -1.00 0.00 0.00 0.00 175.10 174.46 3iuq s HIS 331 N 1.04 2.73 0.09 5.22 3.76 0.11 -4.93 115.29 123.31 3iuq s HIS 331 Ca -0.06 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 54.75 3iuq s HIS 331 Cb -0.15 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.18 3iuq s HIS 331 CO -0.02 0.51 -0.20 -1.54 -0.85 0.00 0.00 174.74 172.64 3iuq s SER 332 N -2.84 2.42 -0.30 1.40 1.04 -1.25 0.11 113.70 114.28 3iuq s SER 332 Ca 0.26 -0.64 -0.26 0.00 0.48 0.00 0.00 55.95 55.79 3iuq s SER 332 Cb -0.09 -0.14 0.20 0.00 0.10 0.00 0.00 66.02 66.08 3iuq s SER 332 CO 0.17 0.07 1.46 -0.83 0.98 0.00 0.00 173.24 175.08 3iuq s GLY 333 N -1.73 0.35 -1.87 7.32 0.00 -0.44 -1.84 107.32 109.11 3iuq s GLY 333 Ca 0.06 3.46 0.00 0.00 0.00 0.00 0.00 44.72 48.24 3iuq s GLY 333 CO 0.04 1.78 0.00 1.44 0.00 0.00 0.00 173.10 176.35 3iuq n SER 334 N 1.32 -4.98 0.00 1.64 7.64 -0.12 -1.37 113.62 117.75 3iuq n SER 334 Ca -0.08 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3iuq n SER 334 Cb 0.57 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 3iuq n SER 334 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iuq n GLY 335 N -0.49 0.64 3.31 0.23 0.00 -1.18 -4.88 105.19 102.82 3iuq n GLY 335 Ca -0.19 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 3iuq n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iuq s TYR 336 N -2.00 1.50 -0.11 1.61 2.02 -0.47 -4.33 117.35 115.56 3iuq s TYR 336 Ca 0.00 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 3iuq s TYR 336 Cb 0.00 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3iuq s TYR 336 CO 0.00 0.14 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.49 3iuq s LEU 337 N -3.26 2.80 -0.30 -1.29 1.43 0.84 -1.32 118.68 117.57 3iuq s LEU 337 Ca 0.22 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3iuq s LEU 337 Cb 0.03 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.68 3iuq s LEU 337 CO 0.05 0.21 0.01 -0.36 0.23 0.00 0.00 176.35 176.49 3iuq s PHE 338 N 0.07 3.28 -0.36 0.29 0.08 0.30 -0.52 117.98 121.11 3iuq s PHE 338 Ca -0.05 -1.92 -0.22 0.00 0.12 0.00 0.00 56.93 54.86 3iuq s PHE 338 Cb -0.14 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3iuq s PHE 338 CO 0.04 -0.81 0.73 0.00 -0.10 0.00 0.00 175.22 175.08 3iuq s ALA 339 N 1.24 3.43 -0.22 5.36 0.00 -0.24 -0.71 121.76 130.62 3iuq s ALA 339 Ca -0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 3iuq s ALA 339 Cb -0.20 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3iuq s ALA 339 CO -0.01 -1.46 0.17 -2.00 0.00 0.00 0.00 175.76 172.46 3iuq s GLU 340 N 2.97 4.11 0.04 0.00 2.12 0.12 -0.97 118.70 127.10 3iuq s GLU 340 Ca 0.29 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.45 3iuq s GLU 340 Cb -0.14 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 3iuq s GLU 340 CO 0.16 0.12 -0.08 0.71 -0.54 0.00 0.00 175.26 175.64 3iuq s TYR 341 N 0.87 2.82 -0.32 5.30 2.02 0.36 -1.25 117.35 127.15 3iuq s TYR 341 Ca 0.09 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 3iuq s TYR 341 Cb -0.13 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3iuq s TYR 341 CO 0.03 0.39 0.19 1.41 -1.57 0.00 0.00 175.55 175.99 3iuq s MET 342 N -1.73 3.39 -0.40 -0.62 1.75 -0.87 -1.77 119.30 119.06 3iuq s MET 342 Ca 0.19 -0.69 -0.06 0.00 -1.25 0.00 0.00 55.69 53.87 3iuq s MET 342 Cb -0.11 -3.67 0.08 0.00 2.84 0.00 0.00 34.83 33.98 3iuq s MET 342 CO 0.10 -0.43 0.20 0.08 -0.65 0.00 0.00 175.02 174.32 3iuq s VAL 343 N 1.66 3.77 -1.30 10.11 1.01 0.93 -4.06 120.40 132.51 3iuq s VAL 343 Ca 0.05 -1.58 -0.14 0.00 0.00 0.00 0.00 61.98 60.31 3iuq s VAL 343 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3iuq s VAL 343 CO 0.08 -0.50 0.53 0.47 0.00 0.00 0.00 175.10 175.68 3iuq n ASP 344 N 4.78 -2.46 0.00 3.32 8.00 -1.26 -0.89 116.55 128.04 3iuq n ASP 344 Ca -0.08 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3iuq n ASP 344 Cb 0.43 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.87 3iuq n ASP 344 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iuq n ALA 345 N -4.51 0.00 -2.66 2.24 0.00 -1.26 -5.00 120.51 109.32 3iuq n ALA 345 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 3iuq n ALA 345 Cb 0.63 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 3iuq n ALA 345 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iuq s THR 346 N -1.94 3.77 0.31 0.00 -4.23 -0.07 -4.11 115.64 109.37 3iuq s THR 346 Ca 0.00 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.11 3iuq s THR 346 Cb 0.00 -2.85 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 3iuq s THR 346 CO 0.00 -0.02 0.69 0.00 -0.54 0.00 0.00 174.62 174.76 3iuq s ALA 347 N -1.54 3.39 -0.02 3.99 0.00 0.02 -0.05 121.76 127.56 3iuq s ALA 347 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 3iuq s ALA 347 Cb -0.10 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3iuq s ALA 347 CO 0.18 0.31 0.10 1.03 0.00 0.00 0.00 175.76 177.38 3iuq s ARG 348 N -3.12 0.30 -0.02 0.00 1.81 -0.73 -4.74 118.95 112.45 3iuq s ARG 348 Ca 0.52 -0.18 0.03 0.00 -1.72 0.00 0.00 55.73 54.38 3iuq s ARG 348 Cb -0.10 0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.52 3iuq s ARG 348 CO 0.21 -0.06 -0.10 0.08 -0.68 0.00 0.00 175.30 174.75 3iuq s VAL 349 N -0.74 0.85 0.05 3.52 1.01 -1.26 -0.49 120.40 123.34 3iuq s VAL 349 Ca -0.08 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3iuq s VAL 349 Cb -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3iuq s VAL 349 CO 0.01 0.25 -0.17 -1.61 0.00 0.00 0.00 175.10 173.58 3iuq s GLU 350 N -0.08 1.06 -0.17 2.72 2.02 -0.14 -0.28 118.70 123.82 3iuq s GLU 350 Ca 0.01 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 3iuq s GLU 350 Cb -0.06 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 3iuq s GLU 350 CO -0.00 0.28 -0.08 -1.14 0.02 0.00 0.00 175.26 174.34 3iuq s GLN 351 N -1.34 3.43 0.19 1.61 0.74 0.74 -1.08 119.66 123.96 3iuq s GLN 351 Ca 0.03 -0.63 0.10 0.00 0.05 0.00 0.00 55.36 54.91 3iuq s GLN 351 Cb -0.09 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 3iuq s GLN 351 CO 0.02 0.04 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.55 3iuq s PHE 352 N 0.84 1.98 0.44 1.67 0.08 0.32 0.40 117.98 123.71 3iuq s PHE 352 Ca -0.02 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.64 3iuq s PHE 352 Cb -0.15 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.36 3iuq s PHE 352 CO 0.01 0.43 0.62 0.16 -0.10 0.00 0.00 175.22 176.34 3iuq s ASP 353 N -2.86 5.64 0.00 1.36 1.47 -0.40 -0.11 116.67 121.76 3iuq s ASP 353 Ca 0.20 -0.15 0.01 0.00 1.18 0.00 0.00 52.55 53.78 3iuq s ASP 353 Cb -0.06 -0.97 0.04 0.00 -0.34 0.00 0.00 42.92 41.60 3iuq s ASP 353 CO 0.09 -0.79 0.88 -1.22 0.68 0.00 0.00 175.17 174.81 3iuq n TYR 354 N -1.98 0.00 1.25 2.11 4.02 -1.26 -0.30 117.16 121.00 3iuq n TYR 354 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 3iuq n TYR 354 Cb 0.59 -0.35 0.31 0.00 -0.02 0.00 0.00 39.34 39.86 3iuq n TYR 354 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3iuq n GLU 355 N -1.35 1.84 -0.51 -0.72 4.71 -1.26 -4.94 120.64 118.40 3iuq n GLU 355 Ca 0.00 -1.32 0.00 0.00 -0.01 0.00 0.00 57.16 55.84 3iuq n GLU 355 Cb 0.01 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 3iuq n GLU 355 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3iuq n GLY 356 N 1.27 0.75 3.74 0.62 0.00 0.59 -5.05 105.19 107.12 3iuq n GLY 356 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3iuq n GLY 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iuq s LYS 357 N -0.49 4.57 -0.24 1.61 1.02 -1.25 -4.82 119.74 120.15 3iuq s LYS 357 Ca 0.00 1.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 3iuq s LYS 357 Cb 0.00 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3iuq s LYS 357 CO 0.00 0.30 1.02 0.50 -0.92 0.00 0.00 175.35 176.26 3iuq s ARG 358 N -0.19 4.24 -0.10 1.68 3.52 -1.26 -1.28 118.95 125.57 3iuq s ARG 358 Ca 0.41 1.31 -0.19 0.00 -0.13 0.00 0.00 55.73 57.13 3iuq s ARG 358 Cb -0.22 -3.65 -0.28 0.00 -1.56 0.00 0.00 34.95 29.25 3iuq s ARG 358 CO 0.26 -0.64 0.65 0.28 -0.81 0.00 0.00 175.30 175.04 3iuq h VAL 359 N 5.47 1.21 -1.14 7.11 2.07 -0.40 -3.49 116.25 127.09 3iuq h VAL 359 Ca -0.19 -2.42 0.35 0.00 0.82 0.00 0.00 66.70 65.25 3iuq h VAL 359 Cb 1.06 2.87 -0.16 0.00 -1.52 0.00 0.00 31.29 33.54 3iuq h VAL 359 CO 0.97 0.68 0.95 0.00 0.02 0.00 0.00 177.57 180.19 3iuq s ARG 360 N -2.44 0.11 -0.07 1.57 1.70 -1.11 -5.01 118.95 113.70 3iuq s ARG 360 Ca -0.18 -0.05 -0.16 0.00 -0.47 0.00 0.00 55.73 54.86 3iuq s ARG 360 Cb 0.03 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 3iuq s ARG 360 CO 0.77 -0.05 0.41 -2.00 -1.08 0.00 0.00 175.30 173.35 3iuq s GLU 361 N -2.13 4.12 -0.36 3.89 2.56 -1.26 -0.18 118.70 125.35 3iuq s GLU 361 Ca 0.13 0.37 -0.16 0.00 0.00 0.00 0.00 54.97 55.32 3iuq s GLU 361 Cb 0.04 -3.33 -0.00 0.00 2.00 0.00 0.00 34.13 32.83 3iuq s GLU 361 CO -0.05 0.43 0.40 0.08 -0.56 0.00 0.00 175.26 175.56 3iuq s VAL 362 N -0.22 5.13 -0.11 3.70 1.01 0.62 -4.93 120.40 125.59 3iuq s VAL 362 Ca 0.23 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 3iuq s VAL 362 Cb -0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3iuq s VAL 362 CO 0.11 -0.17 1.76 0.00 0.00 0.00 0.00 175.10 176.79 3iuq s ALA 363 N 2.10 3.39 0.17 5.51 0.00 -1.26 -4.24 121.76 127.43 3iuq s ALA 363 Ca 0.13 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 3iuq s ALA 363 Cb -0.16 -3.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.06 3iuq s ALA 363 CO 0.12 -1.77 0.43 -0.51 0.00 0.00 0.00 175.76 174.03 3iuq s LEU 364 N 4.98 4.24 0.00 0.00 1.43 -1.26 -4.96 118.68 123.11 3iuq s LEU 364 Ca 0.78 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3iuq s LEU 364 Cb -0.32 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3iuq s LEU 364 CO 0.32 0.02 0.23 -2.65 0.23 0.00 0.00 176.35 174.50 3iuq n PRO 365 N 0.06 0.00 -1.54 1.29 -0.02 -1.26 -4.87 135.00 128.67 3iuq n PRO 365 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3iuq n PRO 365 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3iuq n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iuq n GLY 366 N -0.70 0.14 3.44 -1.23 0.00 -1.26 -5.07 105.19 100.51 3iuq n GLY 366 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3iuq n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iuq s LEU 367 N 0.00 4.92 0.00 0.99 1.43 -1.26 -4.92 118.68 119.84 3iuq s LEU 367 Ca 0.00 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 3iuq s LEU 367 Cb 0.00 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3iuq s LEU 367 CO 0.00 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.78 3iuq n GLY 368 N 5.10 1.27 3.40 -3.19 0.00 -1.26 -4.81 105.19 105.70 3iuq n GLY 368 Ca -0.11 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3iuq n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iuq s SER 369 N 2.00 3.59 -0.02 1.61 0.01 0.25 -0.80 113.70 120.34 3iuq s SER 369 Ca 0.00 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.00 3iuq s SER 369 Cb 0.00 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 3iuq s SER 369 CO 0.00 0.32 -0.21 0.68 0.41 0.00 0.00 173.24 174.44 3iuq s VAL 370 N -0.62 2.50 0.20 3.43 -7.23 -1.26 -2.07 120.40 115.35 3iuq s VAL 370 Ca 0.09 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 59.37 3iuq s VAL 370 Cb -0.11 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3iuq s VAL 370 CO 0.00 0.55 -0.17 -0.94 -0.31 0.00 0.00 175.10 174.24 3iuq s SER 371 N -0.75 2.75 0.00 4.85 1.04 -0.65 -4.95 113.70 115.99 3iuq s SER 371 Ca 0.11 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3iuq s SER 371 Cb -0.10 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3iuq s SER 371 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3iuq n GLY 372 N -0.18 0.08 2.42 7.32 0.00 -1.26 -0.73 105.19 112.84 3iuq n GLY 372 Ca -0.09 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.87 3iuq n GLY 372 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iuq n PHE 373 N 0.00 -0.57 -4.53 1.61 3.72 -0.34 -4.96 117.46 112.39 3iuq n PHE 373 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 3iuq n PHE 373 Cb 0.00 -3.49 -0.14 0.00 -0.94 0.00 0.00 39.48 34.91 3iuq n PHE 373 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iuq s ASN 374 N -2.39 4.13 0.14 4.37 -0.87 -1.26 -3.94 114.94 115.12 3iuq s ASN 374 Ca 0.00 -0.33 -0.25 0.00 -1.57 0.00 0.00 52.86 50.71 3iuq s ASN 374 Cb 0.00 -1.65 0.07 0.00 -0.02 0.00 0.00 41.25 39.64 3iuq s ASN 374 CO 0.00 0.12 0.95 -0.83 -2.57 0.00 0.00 177.10 174.77 3iuq s GLY 375 N 0.62 -0.26 0.80 0.66 0.00 -0.77 -4.80 107.32 103.58 3iuq s GLY 375 Ca -0.06 0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.75 3iuq s GLY 375 CO 0.03 0.03 1.09 0.54 0.00 0.00 0.00 173.10 174.79 3iuq s LYS 376 N -3.28 2.08 0.37 2.90 1.02 -1.26 -3.89 119.74 117.69 3iuq s LYS 376 Ca 0.11 0.77 0.12 0.00 0.02 0.00 0.00 55.97 56.99 3iuq s LYS 376 Cb -0.01 -1.91 0.91 0.00 -0.52 0.00 0.00 37.83 36.30 3iuq s LYS 376 CO 0.01 -1.66 1.84 0.45 -0.92 0.00 0.00 175.35 175.07 3iuq h HIS 377 N -1.12 0.77 -0.02 3.18 3.86 -1.93 -0.20 115.15 119.68 3iuq h HIS 377 Ca -0.47 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3iuq h HIS 377 Cb 1.26 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.49 3iuq h HIS 377 CO 0.49 0.22 -0.18 -0.40 0.86 0.00 0.00 177.93 178.93 3iuq n ASP 378 N -4.59 2.08 -4.67 2.45 5.75 -1.26 -3.08 116.55 113.23 3iuq n ASP 378 Ca 0.20 -1.57 -0.48 0.00 -0.01 0.00 0.00 54.79 52.92 3iuq n ASP 378 Cb 0.60 0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 3iuq n ASP 378 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3iuq n ASP 379 N 0.38 3.12 0.20 -1.12 8.00 -0.99 -4.85 116.55 121.30 3iuq n ASP 379 Ca 0.13 1.03 0.05 0.00 0.71 0.00 0.00 54.79 56.72 3iuq n ASP 379 Cb 0.47 -1.36 0.40 0.00 -0.02 0.00 0.00 41.12 40.61 3iuq n ASP 379 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3iuq h PRO 380 N 7.51 0.00 -3.93 -0.24 0.13 -1.93 -3.40 132.00 130.14 3iuq h PRO 380 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3iuq h PRO 380 Cb 1.27 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.24 3iuq h PRO 380 CO 0.91 0.35 -0.56 0.00 -0.23 0.00 0.00 178.00 178.48 3iuq s ALA 381 N -3.92 0.08 0.15 -0.56 0.00 -1.26 -4.40 121.76 111.85 3iuq s ALA 381 Ca -0.02 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.31 3iuq s ALA 381 Cb 0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3iuq s ALA 381 CO 0.69 -0.35 -0.25 -0.51 0.00 0.00 0.00 175.76 175.34 3iuq s LEU 382 N -2.41 2.40 0.14 0.00 1.43 -0.23 -4.98 118.68 115.03 3iuq s LEU 382 Ca -0.01 -0.78 0.11 0.00 -1.03 0.00 0.00 54.13 52.42 3iuq s LEU 382 Cb 0.02 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3iuq s LEU 382 CO -0.07 0.16 -0.26 -0.31 0.23 0.00 0.00 176.35 176.10 3iuq s TYR 383 N -1.30 2.32 -0.03 0.29 2.02 -1.26 0.80 117.35 120.19 3iuq s TYR 383 Ca 0.17 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.37 3iuq s TYR 383 Cb -0.09 -1.24 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3iuq s TYR 383 CO 0.08 0.36 0.29 -0.59 -1.57 0.00 0.00 175.55 174.12 3iuq s PHE 384 N -1.13 -0.18 0.11 2.71 -0.12 -0.79 -1.20 117.98 117.37 3iuq s PHE 384 Ca 0.15 0.33 0.05 0.00 -0.05 0.00 0.00 56.93 57.40 3iuq s PHE 384 Cb -0.10 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 3iuq s PHE 384 CO 0.07 -0.34 0.04 0.20 -0.05 0.00 0.00 175.22 175.14 3iuq s GLY 385 N -1.05 1.90 0.01 1.99 0.00 0.09 -0.58 107.32 109.68 3iuq s GLY 385 Ca -0.11 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.52 3iuq s GLY 385 CO 0.03 -1.12 -0.11 -0.12 0.00 0.00 0.00 173.10 171.79 3iuq s PHE 386 N -1.44 0.98 0.12 1.90 5.36 0.09 -1.64 117.98 123.36 3iuq s PHE 386 Ca 0.28 -0.25 -0.26 0.00 -0.96 0.00 0.00 56.93 55.74 3iuq s PHE 386 Cb -0.11 -0.61 0.07 0.00 -0.34 0.00 0.00 43.02 42.03 3iuq s PHE 386 CO 0.20 -0.01 0.97 -1.83 -1.46 0.00 0.00 175.22 173.10 3iuq s GLU 387 N -0.58 1.10 0.14 10.12 -1.05 -0.88 -1.62 118.70 125.92 3iuq s GLU 387 Ca 0.02 -0.59 -0.08 0.00 -0.15 0.00 0.00 54.97 54.17 3iuq s GLU 387 Cb -0.05 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.05 3iuq s GLU 387 CO 0.00 -0.50 0.42 0.27 0.95 0.00 0.00 175.26 176.40 3iuq n ASN 388 N -0.44 -0.94 0.30 0.83 2.04 -0.99 -0.58 115.26 115.48 3iuq n ASN 388 Ca -0.06 -1.58 0.17 0.00 -0.44 0.00 0.00 54.58 52.66 3iuq n ASN 388 Cb 0.61 1.55 0.98 0.00 -2.53 0.00 0.00 39.78 40.39 3iuq n ASN 388 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 3iuq h TYR 389 N 1.46 0.00 -0.01 -2.53 0.05 -1.85 -2.70 116.97 111.39 3iuq h TYR 389 Ca -0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3iuq h TYR 389 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 3iuq h TYR 389 CO 0.00 0.01 -0.09 0.00 -1.05 0.00 0.00 178.16 177.03 3iuq n ALA 390 N -2.26 2.60 -3.95 3.88 0.00 -1.26 -4.68 120.51 114.84 3iuq n ALA 390 Ca -0.03 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.63 3iuq n ALA 390 Cb 0.09 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 3iuq n ALA 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3iuq s GLN 391 N -0.91 1.94 0.68 0.00 2.00 -1.03 -3.92 119.66 118.42 3iuq s GLN 391 Ca 0.07 -1.61 -0.17 0.00 -2.00 0.00 0.00 55.36 51.66 3iuq s GLN 391 Cb 0.06 -3.15 0.01 0.00 0.80 0.00 0.00 33.01 30.73 3iuq s GLN 391 CO 0.15 -0.79 1.24 -1.25 -0.50 0.00 0.00 175.29 174.14 3iuq s PRO 392 N 1.05 2.42 -0.49 1.67 0.04 -1.26 -2.34 135.00 136.09 3iuq s PRO 392 Ca 0.02 1.89 -0.47 0.00 0.04 0.00 0.00 61.00 62.48 3iuq s PRO 392 Cb -0.20 -1.85 -0.20 0.00 0.04 0.00 0.00 34.50 32.29 3iuq s PRO 392 CO -0.05 -1.65 1.59 -2.30 0.04 0.00 0.00 177.00 174.62 3iuq n PRO 393 N -2.24 0.02 -4.98 0.56 -0.02 -1.26 -4.78 135.00 122.30 3iuq n PRO 393 Ca 0.14 0.01 -0.27 0.00 -2.02 0.00 0.00 63.50 61.36 3iuq n PRO 393 Cb 0.49 -1.51 -0.16 0.00 -0.02 0.00 0.00 33.50 32.31 3iuq n PRO 393 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iuq s THR 394 N 2.94 1.61 -0.03 3.45 2.01 -0.64 -4.14 115.64 120.84 3iuq s THR 394 Ca 1.05 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 3iuq s THR 394 Cb -1.49 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3iuq s THR 394 CO 0.81 0.46 0.06 -0.76 -0.69 0.00 0.00 174.62 174.49 3iuq s LEU 395 N -0.24 3.81 0.11 4.42 1.43 -0.74 -0.73 118.68 126.75 3iuq s LEU 395 Ca 0.02 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 3iuq s LEU 395 Cb -0.10 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3iuq s LEU 395 CO 0.01 0.31 -0.10 -0.31 0.23 0.00 0.00 176.35 176.49 3iuq s TYR 396 N -1.09 1.16 -0.15 0.29 2.02 0.25 -1.11 117.35 118.72 3iuq s TYR 396 Ca 0.19 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.20 3iuq s TYR 396 Cb -0.12 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 3iuq s TYR 396 CO 0.10 0.04 -0.10 0.50 -1.57 0.00 0.00 175.55 174.51 3iuq s ARG 397 N -3.10 3.42 -0.27 -0.62 3.52 0.41 -1.88 118.95 120.42 3iuq s ARG 397 Ca 0.09 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 3iuq s ARG 397 Cb -0.01 -2.75 0.04 0.00 -1.56 0.00 0.00 34.95 30.67 3iuq s ARG 397 CO 0.00 0.13 -0.04 0.12 -0.81 0.00 0.00 175.30 174.71 3iuq s PHE 398 N 0.59 3.16 -0.51 5.12 5.36 0.24 -1.44 117.98 130.49 3iuq s PHE 398 Ca -0.06 -1.71 -0.26 0.00 -0.96 0.00 0.00 56.93 53.94 3iuq s PHE 398 Cb -0.15 -2.08 0.03 0.00 -0.34 0.00 0.00 43.02 40.48 3iuq s PHE 398 CO 0.03 -0.76 1.01 -1.21 -1.46 0.00 0.00 175.22 172.83 3iuq s GLU 399 N 1.29 3.50 0.15 10.12 0.41 -0.04 -1.07 118.70 133.07 3iuq s GLU 399 Ca -0.02 0.13 -0.32 0.00 -0.41 0.00 0.00 54.97 54.35 3iuq s GLU 399 Cb -0.18 -3.97 -0.08 0.00 -1.78 0.00 0.00 34.13 28.11 3iuq s GLU 399 CO -0.03 -1.40 1.54 -1.35 -0.49 0.00 0.00 175.26 173.53 3iuq h PRO 400 N 9.25 -0.18 0.20 0.39 0.11 -1.88 0.59 132.00 140.49 3iuq h PRO 400 Ca -0.25 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3iuq h PRO 400 Cb 1.07 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3iuq h PRO 400 CO 1.09 -0.12 -0.10 -0.22 -0.21 0.00 0.00 178.00 178.45 3iuq h LYS 401 N -0.18 -0.26 0.00 1.05 3.64 -1.92 -3.12 116.57 115.78 3iuq h LYS 401 Ca 0.12 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3iuq h LYS 401 Cb 0.50 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3iuq h LYS 401 CO -0.78 -0.13 -0.33 0.66 -2.27 0.00 0.00 179.45 176.60 3iuq h SER 402 N -0.33 0.00 -0.46 4.20 4.64 -1.99 -3.47 113.55 116.14 3iuq h SER 402 Ca -0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 3iuq h SER 402 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3iuq h SER 402 CO 0.05 0.04 -0.13 0.61 -0.87 0.00 0.00 176.83 176.52 3iuq n GLY 403 N 1.13 0.66 3.72 -0.77 0.00 0.20 -4.99 105.19 105.16 3iuq n GLY 403 Ca 0.03 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3iuq n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuq s ALA 404 N -2.26 3.29 -0.08 4.61 0.00 -1.12 -4.80 121.76 121.40 3iuq s ALA 404 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3iuq s ALA 404 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3iuq s ALA 404 CO 0.00 -0.25 -0.11 0.42 0.00 0.00 0.00 175.76 175.82 3iuq s ILE 405 N 0.58 3.35 -0.01 0.00 1.01 -1.26 -0.86 121.20 124.02 3iuq s ILE 405 Ca 0.53 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 3iuq s ILE 405 Cb -0.26 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 3iuq s ILE 405 CO 0.30 0.57 0.06 -0.94 0.00 0.00 0.00 174.94 174.94 3iuq s SER 406 N -0.48 0.05 0.22 3.58 1.04 -0.52 -4.97 113.70 112.62 3iuq s SER 406 Ca 0.07 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 3iuq s SER 406 Cb -0.12 0.16 -0.10 0.00 0.10 0.00 0.00 66.02 66.06 3iuq s SER 406 CO 0.02 -0.21 1.49 -0.22 0.98 0.00 0.00 173.24 175.30 3iuq s LEU 407 N -0.83 4.38 -0.12 2.42 0.20 -1.26 -0.45 118.68 123.02 3iuq s LEU 407 Ca -0.09 2.67 -0.04 0.00 0.69 0.00 0.00 54.13 57.36 3iuq s LEU 407 Cb -0.05 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 42.03 3iuq s LEU 407 CO 0.00 -0.76 -0.14 0.00 -0.29 0.00 0.00 176.35 175.17 3iuq n TYR 408 N 2.86 0.00 -3.48 5.38 9.36 -0.26 -4.80 117.16 126.21 3iuq n TYR 408 Ca 0.09 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.12 3iuq n TYR 408 Cb 0.39 -0.44 -0.13 0.00 -0.63 0.00 0.00 39.34 38.54 3iuq n TYR 408 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3iuq s ARG 409 N -2.23 0.20 0.65 2.98 1.81 -1.03 -5.00 118.95 116.34 3iuq s ARG 409 Ca -0.17 0.13 -0.13 0.00 -1.72 0.00 0.00 55.73 53.84 3iuq s ARG 409 Cb 0.06 -1.15 -0.01 0.00 -0.45 0.00 0.00 34.95 33.39 3iuq s ARG 409 CO 0.23 -0.71 1.06 0.00 -0.68 0.00 0.00 175.30 175.20 3iuq s ALA 410 N 2.32 2.66 0.30 2.13 0.00 -1.26 -1.78 121.76 126.13 3iuq s ALA 410 Ca 0.07 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.04 3iuq s ALA 410 Cb -0.16 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3iuq s ALA 410 CO -0.15 -1.07 1.00 0.45 0.00 0.00 0.00 175.76 175.99 3iuq s SER 411 N -3.19 7.29 0.00 0.00 0.15 -1.26 -4.92 113.70 111.77 3iuq s SER 411 Ca 0.62 2.02 0.23 0.00 0.70 0.00 0.00 55.95 59.52 3iuq s SER 411 Cb -0.16 -2.60 0.49 0.00 -1.71 0.00 0.00 66.02 62.04 3iuq s SER 411 CO 0.45 -0.11 1.43 0.00 1.20 0.00 0.00 173.24 176.21 3iuq n ALA 412 N 0.86 2.45 -1.77 5.45 0.00 -1.26 -4.96 120.51 121.29 3iuq n ALA 412 Ca 0.01 -0.85 -0.40 0.00 0.00 0.00 0.00 53.44 52.20 3iuq n ALA 412 Cb 0.48 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.01 3iuq n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuq s ALA 413 N -1.62 3.25 -1.47 0.00 0.00 -1.26 -4.76 121.76 115.89 3iuq s ALA 413 Ca 0.36 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 3iuq s ALA 413 Cb 0.21 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.82 3iuq s ALA 413 CO 0.30 -1.02 2.47 -0.35 0.00 0.00 0.00 175.76 177.16 3iuq n PRO 414 N -0.05 3.60 -3.67 0.00 -0.04 -1.26 -4.84 135.00 128.74 3iuq n PRO 414 Ca 0.04 -2.76 -0.09 0.00 -0.04 0.00 0.00 63.50 60.65 3iuq n PRO 414 Cb 0.43 -2.93 -0.10 0.00 -0.04 0.00 0.00 33.50 30.86 3iuq n PRO 414 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iuq s PHE 415 N 1.58 -0.75 -0.32 0.54 0.08 -1.26 -5.04 117.98 112.81 3iuq s PHE 415 Ca 0.55 1.49 -0.16 0.00 0.12 0.00 0.00 56.93 58.93 3iuq s PHE 415 Cb 0.16 0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.91 3iuq s PHE 415 CO -0.06 -0.44 0.43 0.15 -0.10 0.00 0.00 175.22 175.20 3iuq s LYS 416 N 2.13 3.74 0.19 0.44 1.02 -1.26 -4.87 119.74 121.13 3iuq s LYS 416 Ca -0.05 -0.14 -0.20 0.00 0.02 0.00 0.00 55.97 55.60 3iuq s LYS 416 Cb -0.10 -3.75 0.14 0.00 -0.52 0.00 0.00 37.83 33.59 3iuq s LYS 416 CO -0.13 -0.49 1.59 -1.35 -0.92 0.00 0.00 175.35 174.05 3iuq h PRO 417 N 8.35 -0.14 0.00 -1.68 0.11 -1.97 -0.60 132.00 136.07 3iuq h PRO 417 Ca -0.29 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3iuq h PRO 417 Cb 1.14 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iuq h PRO 417 CO 0.71 -0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 3iuq n GLU 418 N -5.44 0.07 0.00 1.05 -0.00 -1.26 -0.71 120.64 114.35 3iuq n GLU 418 Ca 0.05 0.03 0.14 0.00 -0.00 0.00 0.00 57.16 57.37 3iuq n GLU 418 Cb 0.36 -1.50 0.46 0.00 -0.00 0.00 0.00 31.44 30.76 3iuq n GLU 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3iuq n ASP 419 N -1.04 1.19 -4.43 -1.84 8.00 -0.23 -4.91 116.55 113.29 3iuq n ASP 419 Ca 0.02 -1.15 -0.21 0.00 0.71 0.00 0.00 54.79 54.16 3iuq n ASP 419 Cb 0.01 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3iuq n ASP 419 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3iuq s TYR 420 N -2.27 1.98 -0.08 1.24 2.02 0.11 -1.81 117.35 118.54 3iuq s TYR 420 Ca 0.31 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 3iuq s TYR 420 Cb 0.20 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 3iuq s TYR 420 CO 0.43 0.34 -0.21 0.08 -1.57 0.00 0.00 175.55 174.62 3iuq s VAL 421 N -2.94 1.81 -0.23 0.71 1.01 0.10 -4.74 120.40 116.12 3iuq s VAL 421 Ca 0.29 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3iuq s VAL 421 Cb 0.02 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.92 3iuq s VAL 421 CO 0.12 0.51 0.08 -0.55 0.00 0.00 0.00 175.10 175.25 3iuq s SER 422 N 0.24 3.11 0.15 3.32 0.15 -1.26 -0.98 113.70 118.44 3iuq s SER 422 Ca -0.13 -1.01 0.11 0.00 0.70 0.00 0.00 55.95 55.62 3iuq s SER 422 Cb -0.16 -0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 63.59 3iuq s SER 422 CO 0.06 -0.36 -0.25 -1.83 1.20 0.00 0.00 173.24 172.06 3iuq s GLU 423 N 1.92 1.49 -0.18 5.44 -1.05 0.28 -4.93 118.70 121.67 3iuq s GLU 423 Ca 0.03 -1.40 -0.07 0.00 -0.15 0.00 0.00 54.97 53.38 3iuq s GLU 423 Cb -0.17 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.58 3iuq s GLU 423 CO -0.17 0.43 0.06 -1.14 0.95 0.00 0.00 175.26 175.39 3iuq s GLN 424 N -2.32 3.93 0.12 -4.83 0.74 -1.26 -0.30 119.66 115.74 3iuq s GLN 424 Ca 0.17 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.28 3iuq s GLN 424 Cb -0.09 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3iuq s GLN 424 CO 0.08 0.30 -0.11 1.03 -0.55 0.00 0.00 175.29 176.04 3iuq s ARG 425 N 0.30 0.94 -0.04 1.67 1.81 0.12 -4.97 118.95 118.79 3iuq s ARG 425 Ca 0.03 -1.25 0.06 0.00 -1.72 0.00 0.00 55.73 52.85 3iuq s ARG 425 Cb -0.12 -0.63 -0.01 0.00 -0.45 0.00 0.00 34.95 33.74 3iuq s ARG 425 CO 0.00 0.10 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.44 3iuq s PHE 426 N -2.63 2.11 0.30 -0.53 0.08 -1.26 0.26 117.98 116.30 3iuq s PHE 426 Ca 0.09 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 56.65 3iuq s PHE 426 Cb -0.02 -1.38 -0.06 0.00 -0.57 0.00 0.00 43.02 40.99 3iuq s PHE 426 CO 0.01 -0.13 0.04 1.52 -0.10 0.00 0.00 175.22 176.55 3iuq s TYR 427 N -0.27 1.85 -0.14 0.36 -0.85 -0.31 -4.93 117.35 113.06 3iuq s TYR 427 Ca 0.01 -0.94 -0.03 0.00 -0.52 0.00 0.00 57.07 55.60 3iuq s TYR 427 Cb -0.11 -1.16 -0.03 0.00 0.38 0.00 0.00 41.96 41.04 3iuq s TYR 427 CO 0.01 0.00 -0.05 -0.65 -1.52 0.00 0.00 175.55 173.35 3iuq s GLN 428 N -3.88 3.55 0.92 -3.49 -0.21 -1.26 -0.26 119.66 115.04 3iuq s GLN 428 Ca 0.34 -0.53 -0.14 0.00 0.02 0.00 0.00 55.36 55.05 3iuq s GLN 428 Cb 0.07 -2.86 0.18 0.00 1.00 0.00 0.00 33.01 31.41 3iuq s GLN 428 CO 0.14 0.29 1.27 0.45 -2.12 0.00 0.00 175.29 175.32 3iuq s SER 429 N 0.22 3.38 0.26 5.90 0.15 0.47 -4.88 113.70 119.21 3iuq s SER 429 Ca -0.03 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 3iuq s SER 429 Cb -0.14 -0.35 0.56 0.00 -1.71 0.00 0.00 66.02 64.37 3iuq s SER 429 CO 0.03 -2.56 1.68 0.50 1.20 0.00 0.00 173.24 174.09 3iuq h LYS 430 N -1.46 0.28 -0.17 5.44 3.64 -1.89 -0.18 116.57 122.24 3iuq h LYS 430 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3iuq h LYS 430 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3iuq h LYS 430 CO 0.41 0.18 0.00 -0.40 -2.27 0.00 0.00 179.45 177.37 3iuq n ASP 431 N -5.15 1.02 0.00 4.20 5.68 -1.26 -4.87 116.55 116.17 3iuq n ASP 431 Ca 0.17 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 3iuq n ASP 431 Cb 0.54 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 3iuq n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iuq n GLY 432 N 0.86 0.72 3.74 6.12 0.00 -0.08 -5.04 105.19 111.51 3iuq n GLY 432 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3iuq n GLY 432 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iuq s THR 433 N -2.32 2.32 -0.11 2.61 2.01 -1.26 -4.60 115.64 114.28 3iuq s THR 433 Ca 0.00 0.26 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 3iuq s THR 433 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3iuq s THR 433 CO 0.00 0.04 0.78 -0.60 -0.69 0.00 0.00 174.62 174.15 3iuq s ARG 434 N -0.15 4.38 -0.05 4.92 3.52 -1.26 -0.39 118.95 129.92 3iuq s ARG 434 Ca 0.64 0.98 0.04 0.00 -0.13 0.00 0.00 55.73 57.25 3iuq s ARG 434 Cb -0.46 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 3iuq s ARG 434 CO 0.43 -0.13 -0.16 0.08 -0.81 0.00 0.00 175.30 174.71 3iuq s VAL 435 N 1.45 1.36 0.46 7.11 1.01 0.64 -4.96 120.40 127.48 3iuq s VAL 435 Ca 0.39 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 3iuq s VAL 435 Cb -0.17 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 3iuq s VAL 435 CO 0.16 0.40 1.00 -2.84 0.00 0.00 0.00 175.10 173.82 3iuq s PRO 436 N 0.17 3.97 -0.12 2.72 0.02 -1.26 -1.16 135.00 139.34 3iuq s PRO 436 Ca -0.06 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.17 3iuq s PRO 436 Cb -0.12 -2.13 0.05 0.00 0.02 0.00 0.00 34.50 32.32 3iuq s PRO 436 CO 0.03 -0.27 0.28 -1.17 -0.33 0.00 0.00 177.00 175.54 3iuq s LEU 437 N -3.36 0.21 -0.22 -5.54 2.96 0.14 -1.95 118.68 110.92 3iuq s LEU 437 Ca 0.65 0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 55.11 3iuq s LEU 437 Cb -0.13 0.85 -0.02 0.00 0.50 0.00 0.00 46.19 47.38 3iuq s LEU 437 CO 0.17 -0.18 0.01 -0.63 -1.32 0.00 0.00 176.35 174.40 3iuq s ILE 438 N 1.47 3.86 -0.16 6.68 1.01 -0.53 0.14 121.20 133.67 3iuq s ILE 438 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3iuq s ILE 438 Cb -0.10 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3iuq s ILE 438 CO -0.09 0.40 -0.08 -0.63 0.00 0.00 0.00 174.94 174.53 3iuq s ILE 439 N 1.33 3.34 0.04 2.92 1.01 0.59 -0.88 121.20 129.55 3iuq s ILE 439 Ca 0.04 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.22 3iuq s ILE 439 Cb -0.15 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 3iuq s ILE 439 CO 0.01 0.49 -0.19 -0.44 0.00 0.00 0.00 174.94 174.80 3iuq s SER 440 N 0.65 2.32 0.05 3.58 0.01 0.49 -0.55 113.70 120.25 3iuq s SER 440 Ca -0.05 -0.50 -0.28 0.00 1.31 0.00 0.00 55.95 56.43 3iuq s SER 440 Cb -0.15 -0.19 0.10 0.00 0.21 0.00 0.00 66.02 65.99 3iuq s SER 440 CO 0.02 0.14 1.12 -0.72 0.41 0.00 0.00 173.24 174.22 3iuq s TYR 441 N -0.78 -0.10 0.21 2.43 -0.85 -0.15 -1.35 117.35 116.76 3iuq s TYR 441 Ca 0.06 -0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.22 3iuq s TYR 441 Cb -0.09 0.59 -0.09 0.00 0.38 0.00 0.00 41.96 42.75 3iuq s TYR 441 CO 0.02 -0.52 1.23 0.50 -1.52 0.00 0.00 175.55 175.26 3iuq s ARG 442 N -2.83 4.46 0.51 -3.49 3.00 -1.26 0.01 118.95 119.35 3iuq s ARG 442 Ca 0.13 1.96 -0.22 0.00 -1.00 0.00 0.00 55.73 56.59 3iuq s ARG 442 Cb 0.02 -3.20 -0.07 0.00 0.00 0.00 0.00 34.95 31.69 3iuq s ARG 442 CO -0.01 -0.12 1.20 1.63 0.00 0.00 0.00 175.30 177.99 3iuq n LYS 443 N 2.25 1.53 0.00 5.12 5.02 -0.75 -3.05 118.16 128.27 3iuq n LYS 443 Ca 0.04 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3iuq n LYS 443 Cb 0.44 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 3iuq n LYS 443 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iuq n GLY 444 N 0.95 0.82 3.76 0.72 0.00 -1.26 -5.02 105.19 105.16 3iuq n GLY 444 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3iuq n GLY 444 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iuq s LEU 445 N 0.00 3.99 -0.08 0.99 0.20 -1.17 -5.01 118.68 117.60 3iuq s LEU 445 Ca 0.00 2.80 0.01 0.00 0.69 0.00 0.00 54.13 57.63 3iuq s LEU 445 Cb 0.00 -4.11 -0.03 0.00 -0.43 0.00 0.00 46.19 41.63 3iuq s LEU 445 CO 0.00 -1.34 -0.09 -0.54 -0.29 0.00 0.00 176.35 174.10 3iuq s LYS 446 N -2.67 2.88 -1.48 1.98 1.02 -1.26 -5.03 119.74 115.19 3iuq s LYS 446 Ca 0.66 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.94 3iuq s LYS 446 Cb -0.41 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3iuq s LYS 446 CO 0.51 0.56 2.39 1.28 -0.92 0.00 0.00 175.35 179.17 3iuq n LEU 447 N 2.53 7.41 -0.87 3.17 4.77 -1.26 -4.41 117.00 128.34 3iuq n LEU 447 Ca -0.18 -4.29 0.08 0.00 -0.03 0.00 0.00 56.01 51.59 3iuq n LEU 447 Cb 0.53 -1.60 0.19 0.00 -2.33 0.00 0.00 43.42 40.21 3iuq n LEU 447 CO 0.28 1.44 0.65 -0.90 -1.33 0.00 0.00 177.39 177.53 3iuq n ASP 448 N 4.97 3.14 -1.36 -1.43 5.68 -1.03 -4.69 116.55 121.84 3iuq n ASP 448 Ca 0.58 -1.94 -0.12 0.00 -0.50 0.00 0.00 54.79 52.81 3iuq n ASP 448 Cb 0.34 -0.27 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 3iuq n ASP 448 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iuq n GLY 449 N 0.95 0.03 0.00 6.12 0.00 0.33 -4.92 105.19 107.70 3iuq n GLY 449 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3iuq n GLY 449 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iuq n SER 450 N -0.32 0.89 -4.72 1.61 3.41 -1.26 -2.18 113.62 111.05 3iuq n SER 450 Ca -0.14 -1.04 -0.42 0.00 -0.26 0.00 0.00 58.87 57.01 3iuq n SER 450 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3iuq n SER 450 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3iuq s ASN 451 N -0.04 7.01 0.18 4.04 0.01 -1.23 -4.92 114.94 120.00 3iuq s ASN 451 Ca 0.00 2.15 -0.32 0.00 -0.71 0.00 0.00 52.86 53.98 3iuq s ASN 451 Cb 0.00 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.97 3iuq s ASN 451 CO 0.00 -0.50 1.63 -2.16 -1.51 0.00 0.00 177.10 174.56 3iuq s PRO 452 N 0.77 4.18 0.02 -0.60 0.04 -1.26 -4.57 135.00 133.57 3iuq s PRO 452 Ca 0.59 2.45 0.04 0.00 0.04 0.00 0.00 61.00 64.12 3iuq s PRO 452 Cb -0.32 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3iuq s PRO 452 CO 0.31 -0.66 -0.12 0.99 0.04 0.00 0.00 177.00 177.56 3iuq s THR 453 N 1.21 0.96 -0.18 1.26 2.01 0.14 -0.80 115.64 120.24 3iuq s THR 453 Ca 0.72 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 3iuq s THR 453 Cb -0.46 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.21 3iuq s THR 453 CO 0.32 0.10 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.57 3iuq s ILE 454 N -0.59 2.55 -0.23 1.82 1.01 -0.56 0.45 121.20 125.65 3iuq s ILE 454 Ca 0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 3iuq s ILE 454 Cb -0.06 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3iuq s ILE 454 CO 0.00 0.50 0.09 -0.22 0.00 0.00 0.00 174.94 175.32 3iuq s LEU 455 N 1.21 3.70 0.06 2.97 2.96 0.13 -1.62 118.68 128.08 3iuq s LEU 455 Ca 0.02 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3iuq s LEU 455 Cb -0.14 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3iuq s LEU 455 CO -0.07 0.03 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.39 3iuq s TYR 456 N 1.23 2.68 0.25 5.38 5.04 0.93 -0.17 117.35 132.69 3iuq s TYR 456 Ca 0.05 -0.18 -0.22 0.00 -2.44 0.00 0.00 57.07 54.29 3iuq s TYR 456 Cb -0.14 -1.47 0.04 0.00 0.35 0.00 0.00 41.96 40.73 3iuq s TYR 456 CO 0.04 0.35 0.81 0.20 -1.34 0.00 0.00 175.55 175.60 3iuq s GLY 457 N -1.75 -0.08 0.00 8.97 0.00 -1.14 -2.10 107.32 111.22 3iuq s GLY 457 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3iuq s GLY 457 CO 0.09 -0.01 0.00 2.98 0.00 0.00 0.00 173.10 176.16 3iuq n TYR 458 N -0.48 0.00 -2.10 1.90 9.36 -1.26 -4.47 117.16 120.11 3iuq n TYR 458 Ca -0.05 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.15 3iuq n TYR 458 Cb 0.60 0.15 0.01 0.00 -0.63 0.00 0.00 39.34 39.46 3iuq n TYR 458 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3iuq n GLY 459 N 1.50 -0.36 0.00 2.98 0.00 -1.26 -4.32 105.19 103.72 3iuq n GLY 459 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3iuq n GLY 459 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iuq n GLY 460 N -1.33 1.49 2.41 -0.02 0.00 -0.90 -4.57 105.19 102.27 3iuq n GLY 460 Ca -0.01 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3iuq n GLY 460 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iuq n PHE 461 N -0.51 -1.15 -1.63 1.61 3.72 -1.09 -1.81 117.46 116.60 3iuq n PHE 461 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3iuq n PHE 461 Cb 0.00 -3.27 -0.08 0.00 -0.94 0.00 0.00 39.48 35.19 3iuq n PHE 461 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3iuq n ASP 462 N -1.81 -5.34 -4.71 4.37 2.03 -0.94 -4.91 116.55 105.24 3iuq n ASP 462 Ca -0.19 0.47 -0.41 0.00 0.52 0.00 0.00 54.79 55.18 3iuq n ASP 462 Cb 0.64 -4.72 -0.04 0.00 -0.72 0.00 0.00 41.12 36.28 3iuq n ASP 462 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iuq s VAL 463 N -2.73 4.88 -0.20 5.18 1.01 -0.75 -3.11 120.40 124.67 3iuq s VAL 463 Ca 0.00 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 63.81 3iuq s VAL 463 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3iuq s VAL 463 CO 0.00 0.20 0.05 -0.44 0.00 0.00 0.00 175.10 174.92 3iuq s SER 464 N 0.83 5.35 -0.83 3.32 0.01 -1.26 -2.13 113.70 118.99 3iuq s SER 464 Ca 0.48 -0.05 -0.20 0.00 1.31 0.00 0.00 55.95 57.49 3iuq s SER 464 Cb -0.20 -1.93 0.10 0.00 0.21 0.00 0.00 66.02 64.20 3iuq s SER 464 CO 0.26 0.10 1.07 -0.76 0.41 0.00 0.00 173.24 174.31 3iuq s LEU 465 N 0.82 4.76 0.24 2.44 1.43 -1.26 -4.99 118.68 122.11 3iuq s LEU 465 Ca 0.03 -1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 3iuq s LEU 465 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 3iuq s LEU 465 CO 0.02 -1.22 0.44 0.42 0.23 0.00 0.00 176.35 176.25 3iuq s THR 466 N 3.28 5.16 0.01 5.49 -4.23 -1.26 -4.94 115.64 119.15 3iuq s THR 466 Ca 0.29 -0.36 -0.38 0.00 -1.18 0.00 0.00 61.69 60.06 3iuq s THR 466 Cb -0.09 -3.76 -0.17 0.00 1.34 0.00 0.00 72.50 69.81 3iuq s THR 466 CO -0.02 -0.27 1.38 -2.65 -0.54 0.00 0.00 174.62 172.51 3iuq n PRO 467 N -0.95 0.98 -3.81 3.99 -0.02 -1.26 -4.95 135.00 128.98 3iuq n PRO 467 Ca -0.05 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3iuq n PRO 467 Cb 0.54 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 3iuq n PRO 467 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iuq s SER 468 N 0.95 -0.00 0.13 2.55 0.15 -1.26 -3.90 113.70 112.33 3iuq s SER 468 Ca 0.88 0.08 -0.27 0.00 0.70 0.00 0.00 55.95 57.34 3iuq s SER 468 Cb -1.02 0.02 -0.07 0.00 -1.71 0.00 0.00 66.02 63.24 3iuq s SER 468 CO 0.52 -0.07 0.82 0.12 1.20 0.00 0.00 173.24 175.83 3iuq s PHE 469 N 0.56 3.86 -0.03 3.44 5.36 -1.16 -4.04 117.98 125.97 3iuq s PHE 469 Ca -0.04 1.66 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 3iuq s PHE 469 Cb -0.06 -2.86 0.02 0.00 -0.34 0.00 0.00 43.02 39.78 3iuq s PHE 469 CO -0.02 0.39 -0.01 0.45 -1.46 0.00 0.00 175.22 174.58 3iuq s SER 470 N -0.68 0.46 0.16 6.13 0.15 -1.26 -4.97 113.70 113.69 3iuq s SER 470 Ca 0.39 -0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.88 3iuq s SER 470 Cb -0.23 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 63.88 3iuq s SER 470 CO 0.27 -0.08 1.62 0.58 1.20 0.00 0.00 173.24 176.83 3iuq h VAL 471 N 6.12 1.26 -0.84 4.45 2.07 -1.98 0.38 116.25 127.71 3iuq h VAL 471 Ca -0.41 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 3iuq h VAL 471 Cb 1.14 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3iuq h VAL 471 CO 0.48 0.37 0.47 0.77 0.02 0.00 0.00 177.57 179.68 3iuq h SER 472 N 0.78 1.04 -0.08 0.57 4.64 -1.96 -0.95 113.55 117.60 3iuq h SER 472 Ca 0.15 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3iuq h SER 472 Cb 0.48 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3iuq h SER 472 CO 0.02 0.83 -0.12 0.58 -0.87 0.00 0.00 176.83 177.27 3iuq h VAL 473 N 1.17 1.40 -0.25 0.95 2.07 -1.91 -2.54 116.25 117.14 3iuq h VAL 473 Ca 0.30 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.52 3iuq h VAL 473 Cb 0.01 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3iuq h VAL 473 CO -0.05 0.38 0.20 0.00 0.02 0.00 0.00 177.57 178.12 3iuq h ALA 474 N 0.52 2.12 0.00 1.67 0.00 -0.68 0.29 119.26 123.18 3iuq h ALA 474 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3iuq h ALA 474 Cb 0.68 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3iuq h ALA 474 CO 0.03 -0.33 -0.67 -0.91 0.00 0.00 0.00 179.25 177.38 3iuq h ASN 475 N 0.00 0.00 0.30 0.00 2.35 -1.03 -2.03 115.58 115.17 3iuq h ASN 475 Ca 0.12 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.68 3iuq h ASN 475 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 3iuq h ASN 475 CO -0.00 0.67 -0.78 -0.25 -1.65 0.00 0.00 177.43 175.42 3iuq h TRP 476 N 0.00 0.53 -0.26 1.19 2.91 -0.07 -2.06 115.95 118.19 3iuq h TRP 476 Ca -0.01 -0.25 -0.10 0.00 1.13 0.00 0.00 58.89 59.66 3iuq h TRP 476 Cb 1.33 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3iuq h TRP 476 CO 0.00 1.02 -0.27 -0.07 -1.03 0.00 0.00 178.44 178.09 3iuq h LEU 477 N 0.25 0.52 -0.65 0.65 3.38 -0.92 -1.07 115.31 117.48 3iuq h LEU 477 Ca -0.04 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 3iuq h LEU 477 Cb 1.36 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3iuq h LEU 477 CO 0.13 0.78 -0.67 0.44 0.09 0.00 0.00 178.44 179.21 3iuq h ASP 478 N 0.45 0.05 0.00 -0.43 3.32 -1.23 -2.57 116.42 116.02 3iuq h ASP 478 Ca 0.06 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3iuq h ASP 478 Cb 0.70 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3iuq h ASP 478 CO 0.05 0.70 0.00 0.18 -1.72 0.00 0.00 179.24 178.45 3iuq n LEU 479 N -3.76 0.00 0.00 1.55 4.77 -0.79 -4.83 117.00 113.95 3iuq n LEU 479 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3iuq n LEU 479 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3iuq n LEU 479 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3iuq n GLY 480 N 0.28 0.54 3.90 -0.72 0.00 -0.97 -3.43 105.19 104.79 3iuq n GLY 480 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3iuq n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iuq s GLY 481 N -1.24 1.62 -0.03 -0.02 0.00 -0.44 -4.57 107.32 102.65 3iuq s GLY 481 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.19 3iuq s GLY 481 CO 0.00 -0.17 -0.08 0.14 0.00 0.00 0.00 173.10 172.99 3iuq s VAL 482 N -3.33 3.56 -0.14 1.40 1.01 0.02 -4.29 120.40 118.63 3iuq s VAL 482 Ca 0.58 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3iuq s VAL 482 Cb -0.11 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3iuq s VAL 482 CO 0.49 0.51 -0.16 -0.47 0.00 0.00 0.00 175.10 175.47 3iuq s TYR 483 N -0.87 2.26 -0.09 5.22 5.04 -0.46 -1.50 117.35 126.95 3iuq s TYR 483 Ca 0.14 -1.22 0.03 0.00 -2.44 0.00 0.00 57.07 53.57 3iuq s TYR 483 Cb -0.11 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.58 3iuq s TYR 483 CO 0.04 -0.64 -0.18 0.00 -1.34 0.00 0.00 175.55 173.43 3iuq s ALA 484 N 1.27 1.74 -0.21 3.97 0.00 -0.64 -0.38 121.76 127.51 3iuq s ALA 484 Ca 0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3iuq s ALA 484 Cb -0.14 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.26 3iuq s ALA 484 CO -0.08 0.12 -0.12 0.08 0.00 0.00 0.00 175.76 175.75 3iuq s VAL 485 N 0.64 2.54 -0.13 0.00 1.01 -0.06 -0.05 120.40 124.36 3iuq s VAL 485 Ca -0.14 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 3iuq s VAL 485 Cb -0.16 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3iuq s VAL 485 CO 0.04 0.38 0.27 0.00 0.00 0.00 0.00 175.10 175.79 3iuq s ALA 486 N 1.32 3.67 -1.22 5.51 0.00 -0.89 -1.45 121.76 128.70 3iuq s ALA 486 Ca 0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3iuq s ALA 486 Cb -0.15 -2.30 0.21 0.00 0.00 0.00 0.00 23.12 20.88 3iuq s ALA 486 CO -0.08 0.26 1.83 0.09 0.00 0.00 0.00 175.76 177.86 3iuq n ASN 487 N 2.97 5.91 -4.51 0.00 3.02 -0.82 -4.62 115.26 117.21 3iuq n ASN 487 Ca -0.14 -3.23 -0.32 0.00 -0.03 0.00 0.00 54.58 50.86 3iuq n ASN 487 Cb 0.52 -1.39 0.15 0.00 -0.61 0.00 0.00 39.78 38.45 3iuq n ASN 487 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3iuq n LEU 488 N 2.72 0.98 -4.78 3.41 4.77 -1.26 -4.59 117.00 118.26 3iuq n LEU 488 Ca 0.39 0.33 -0.31 0.00 -0.03 0.00 0.00 56.01 56.38 3iuq n LEU 488 Cb 0.33 -1.30 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 3iuq n LEU 488 CO 0.77 -3.05 0.71 -0.13 -1.33 0.00 0.00 177.39 174.35 3iuq s ARG 489 N -4.03 2.46 0.00 3.23 0.52 -1.26 -2.87 118.95 116.99 3iuq s ARG 489 Ca 0.61 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.00 3iuq s ARG 489 Cb -0.22 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3iuq s ARG 489 CO 0.64 -1.49 0.00 0.41 0.02 0.00 0.00 175.30 174.88 3iuq n GLY 490 N -1.19 2.43 2.97 -3.53 0.00 -0.30 -4.34 105.19 101.23 3iuq n GLY 490 Ca 0.09 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3iuq n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iuq n GLY 491 N 0.00 -0.91 0.97 -0.02 0.00 -1.14 -2.12 105.19 101.97 3iuq n GLY 491 Ca 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.32 3iuq n GLY 491 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iuq n GLY 492 N -1.49 3.72 0.35 -0.02 0.00 -0.91 -2.49 105.19 104.35 3iuq n GLY 492 Ca 0.13 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3iuq n GLY 492 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iuq h GLU 493 N 2.10 0.37 -0.60 1.61 3.07 -1.87 -2.75 114.58 116.51 3iuq h GLU 493 Ca 0.00 -0.02 -0.44 0.00 -0.50 0.00 0.00 59.36 58.40 3iuq h GLU 493 Cb 1.39 -0.08 -0.37 0.00 -0.84 0.00 0.00 28.75 28.85 3iuq h GLU 493 CO 0.21 0.24 -0.82 0.66 -1.40 0.00 0.00 179.01 177.91 3iuq n TYR 494 N -4.47 2.18 -2.51 4.33 4.01 -1.26 -4.66 117.16 114.78 3iuq n TYR 494 Ca 0.09 -2.08 0.00 0.00 -0.16 0.00 0.00 57.90 55.74 3iuq n TYR 494 Cb 0.34 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 3iuq n TYR 494 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iuq n GLY 495 N -0.73 -2.18 0.37 2.72 0.00 -1.04 -3.86 105.19 100.47 3iuq n GLY 495 Ca 0.36 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 45.01 3iuq n GLY 495 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iuq h GLN 496 N 0.00 0.62 -0.98 1.61 4.15 -1.23 -1.30 115.11 117.98 3iuq h GLN 496 Ca 0.00 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.39 3iuq h GLN 496 Cb 0.00 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 3iuq h GLN 496 CO 0.00 0.41 0.65 0.00 -1.93 0.00 0.00 178.83 177.96 3iuq h ALA 497 N 1.61 1.24 -0.39 3.38 0.00 -1.83 0.17 119.26 123.44 3iuq h ALA 497 Ca 0.41 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3iuq h ALA 497 Cb 0.69 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iuq h ALA 497 CO -0.17 0.63 -0.03 2.35 0.00 0.00 0.00 179.25 182.03 3iuq h TRP 498 N 1.32 0.78 0.67 0.00 2.91 -1.37 -2.47 115.95 117.79 3iuq h TRP 498 Ca 0.36 -0.15 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 3iuq h TRP 498 Cb -0.15 -0.20 0.01 0.00 -0.51 0.00 0.00 29.16 28.30 3iuq h TRP 498 CO -0.00 0.81 -0.32 1.25 -1.03 0.00 0.00 178.44 179.14 3iuq h HIS 499 N 0.52 -0.83 0.00 2.65 2.76 -0.77 -0.79 115.15 118.69 3iuq h HIS 499 Ca 0.11 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3iuq h HIS 499 Cb 0.52 0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.75 3iuq h HIS 499 CO 0.04 -0.49 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.07 3iuq h LEU 500 N -0.99 0.00 0.00 0.26 3.38 -0.71 -0.59 115.31 116.65 3iuq h LEU 500 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iuq h LEU 500 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3iuq h LEU 500 CO 0.15 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3iuq n ALA 501 N -2.33 2.25 -1.28 1.53 0.00 -0.93 -2.60 120.51 117.15 3iuq n ALA 501 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3iuq n ALA 501 Cb 0.13 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.30 3iuq n ALA 501 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuq n GLY 502 N 0.30 2.14 3.70 0.00 0.00 -0.23 -4.62 105.19 106.48 3iuq n GLY 502 Ca 0.15 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3iuq n GLY 502 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iuq s THR 503 N -1.26 3.67 0.00 2.61 -4.23 -1.07 -4.25 115.64 111.11 3iuq s THR 503 Ca 0.13 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3iuq s THR 503 Cb 0.11 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3iuq s THR 503 CO 0.01 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 173.74 3iuq n GLN 504 N -1.00 0.00 0.00 3.99 6.02 0.11 -1.52 117.38 124.98 3iuq n GLN 504 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3iuq n GLN 504 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 3iuq n GLN 504 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iuq n GLN 505 N 13.09 0.93 0.00 -1.09 6.02 -1.26 -1.97 117.38 133.09 3iuq n GLN 505 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3iuq n GLN 505 Cb 0.00 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3iuq n GLN 505 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3iuq n ASN 506 N 0.29 0.46 -0.33 1.08 5.03 -0.57 -4.79 115.26 116.43 3iuq n ASN 506 Ca 0.00 -0.79 0.36 0.00 0.87 0.00 0.00 54.58 55.02 3iuq n ASN 506 Cb 0.35 0.22 0.75 0.00 -1.02 0.00 0.00 39.78 40.08 3iuq n ASN 506 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3iuq h LYS 507 N 0.00 0.00 0.00 3.52 1.63 -1.44 0.28 116.57 120.56 3iuq h LYS 507 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3iuq h LYS 507 Cb 0.11 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3iuq h LYS 507 CO 0.00 0.00 -0.07 0.37 -3.45 0.00 0.00 179.45 176.30 3iuq h GLN 508 N 0.00 0.00 -0.76 1.90 5.75 -1.87 -1.80 115.11 118.34 3iuq h GLN 508 Ca 0.57 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 59.08 3iuq h GLN 508 Cb 2.30 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.81 3iuq h GLN 508 CO -0.01 0.07 0.50 -0.91 -2.65 0.00 0.00 178.83 175.83 3iuq h ASN 509 N 0.00 0.86 -0.32 -0.69 2.35 -0.69 -0.08 115.58 117.01 3iuq h ASN 509 Ca -0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3iuq h ASN 509 Cb 0.18 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3iuq h ASN 509 CO 0.01 0.62 0.13 0.58 -1.65 0.00 0.00 177.43 177.12 3iuq h VAL 510 N 1.01 1.18 -0.45 2.81 2.07 -1.47 -0.36 116.25 121.05 3iuq h VAL 510 Ca 0.28 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3iuq h VAL 510 Cb -0.10 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3iuq h VAL 510 CO -0.06 0.20 -0.07 -0.26 0.02 0.00 0.00 177.57 177.39 3iuq h PHE 511 N 0.38 0.86 -0.56 1.57 0.04 -1.40 -1.91 116.94 115.92 3iuq h PHE 511 Ca 0.11 -0.14 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 3iuq h PHE 511 Cb 0.19 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3iuq h PHE 511 CO -0.00 0.83 -0.08 -0.44 -0.60 0.00 0.00 178.31 178.02 3iuq h ASP 512 N 0.72 1.03 -0.68 2.17 3.32 -0.75 -0.74 116.42 121.48 3iuq h ASP 512 Ca 0.13 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3iuq h ASP 512 Cb 0.55 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3iuq h ASP 512 CO 0.03 1.12 0.38 0.44 -1.72 0.00 0.00 179.24 179.49 3iuq h ASP 513 N 0.92 0.85 -0.39 6.45 3.32 -0.79 -0.91 116.42 125.86 3iuq h ASP 513 Ca 0.15 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3iuq h ASP 513 Cb 0.64 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3iuq h ASP 513 CO 0.04 0.69 0.09 0.15 -1.72 0.00 0.00 179.24 178.50 3iuq h PHE 514 N 0.94 0.67 -0.89 4.55 3.57 -1.09 -1.93 116.94 122.75 3iuq h PHE 514 Ca 0.24 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3iuq h PHE 514 Cb 0.03 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3iuq h PHE 514 CO -0.01 0.65 0.59 0.82 -2.23 0.00 0.00 178.31 178.13 3iuq h ILE 515 N 0.49 1.22 -0.01 1.41 2.04 -0.87 -1.79 117.51 120.00 3iuq h ILE 515 Ca 0.12 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3iuq h ILE 515 Cb 0.32 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3iuq h ILE 515 CO 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 178.15 178.08 3iuq h ALA 516 N 1.33 1.50 -0.40 1.87 0.00 -0.93 -1.78 119.26 120.84 3iuq h ALA 516 Ca 0.33 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3iuq h ALA 516 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iuq h ALA 516 CO -0.07 0.38 -0.36 0.00 0.00 0.00 0.00 179.25 179.19 3iuq h ALA 517 N 1.69 0.60 -0.59 0.00 0.00 -0.54 -0.48 119.26 119.93 3iuq h ALA 517 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.48 3iuq h ALA 517 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3iuq h ALA 517 CO 0.04 0.68 0.37 0.00 0.00 0.00 0.00 179.25 180.34 3iuq h ALA 518 N 0.80 0.76 -0.36 0.00 0.00 -0.88 -1.41 119.26 118.16 3iuq h ALA 518 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3iuq h ALA 518 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3iuq h ALA 518 CO 0.09 0.13 -0.15 0.93 0.00 0.00 0.00 179.25 180.26 3iuq h GLU 519 N 0.75 0.64 -0.16 0.00 5.08 -1.10 -2.84 114.58 116.96 3iuq h GLU 519 Ca 0.23 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3iuq h GLU 519 Cb -0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3iuq h GLU 519 CO -0.08 0.77 0.03 -0.92 -1.00 0.00 0.00 179.01 177.82 3iuq h TYR 520 N 0.58 0.27 -0.87 4.33 3.20 -0.49 -1.32 116.97 122.68 3iuq h TYR 520 Ca 0.10 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.03 3iuq h TYR 520 Cb 0.59 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 3iuq h TYR 520 CO 0.03 0.41 0.56 -0.07 -1.64 0.00 0.00 178.16 177.45 3iuq h LEU 521 N 0.06 0.76 -0.05 2.82 3.38 -1.12 0.58 115.31 121.74 3iuq h LEU 521 Ca 0.05 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3iuq h LEU 521 Cb 0.28 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iuq h LEU 521 CO 0.00 0.44 -0.34 0.11 0.09 0.00 0.00 178.44 178.75 3iuq h LYS 522 N 0.84 0.31 -0.19 1.13 1.57 -1.39 -1.75 116.57 117.09 3iuq h LYS 522 Ca 0.40 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3iuq h LYS 522 Cb 0.43 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3iuq h LYS 522 CO -0.17 0.94 0.05 0.00 -0.57 0.00 0.00 179.45 179.70 3iuq h ALA 523 N 0.38 1.73 -0.03 3.86 0.00 -0.72 -2.18 119.26 122.30 3iuq h ALA 523 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iuq h ALA 523 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3iuq h ALA 523 CO 0.07 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.92 3iuq n GLU 524 N -4.43 1.44 -0.83 0.00 -0.58 0.15 -4.92 120.64 111.47 3iuq n GLU 524 Ca -0.00 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 3iuq n GLU 524 Cb 0.14 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3iuq n GLU 524 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iuq n GLY 525 N 1.09 0.78 0.26 0.62 0.00 -0.82 -4.93 105.19 102.18 3iuq n GLY 525 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3iuq n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iuq h TYR 526 N 0.00 0.94 -2.41 1.61 0.05 -1.54 0.96 116.97 116.58 3iuq h TYR 526 Ca 0.00 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 3iuq h TYR 526 Cb 0.00 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 3iuq h TYR 526 CO 0.00 0.84 0.06 -2.37 -1.05 0.00 0.00 178.16 175.64 3iuq n THR 527 N -4.37 0.00 -4.19 -2.88 5.66 -1.14 -3.50 114.28 103.86 3iuq n THR 527 Ca 0.02 -0.39 -0.11 0.00 -3.05 0.00 0.00 64.05 60.51 3iuq n THR 527 Cb 0.27 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.29 3iuq n THR 527 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iuq s ARG 528 N -2.08 1.15 0.26 1.09 1.70 -0.92 -4.14 118.95 115.99 3iuq s ARG 528 Ca 0.06 -1.58 -0.02 0.00 -0.47 0.00 0.00 55.73 53.72 3iuq s ARG 528 Cb -0.01 0.27 0.55 0.00 -0.57 0.00 0.00 34.95 35.19 3iuq s ARG 528 CO 0.05 -0.37 1.69 1.15 -1.08 0.00 0.00 175.30 176.74 3iuq h THR 529 N 2.67 0.49 0.00 4.99 2.02 -1.89 0.76 112.91 121.94 3iuq h THR 529 Ca -0.36 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3iuq h THR 529 Cb 1.24 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3iuq h THR 529 CO 0.54 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.59 3iuq n ASP 530 N -5.12 0.00 -0.12 4.18 5.68 -1.26 -2.69 116.55 117.22 3iuq n ASP 530 Ca 0.17 -1.02 0.10 0.00 -0.50 0.00 0.00 54.79 53.54 3iuq n ASP 530 Cb 0.53 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.65 3iuq n ASP 530 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iuq n ARG 531 N -0.98 1.36 -4.92 0.11 5.12 0.22 -4.66 116.66 112.92 3iuq n ARG 531 Ca 0.22 -2.60 -0.33 0.00 -1.93 0.00 0.00 57.85 53.22 3iuq n ARG 531 Cb 0.10 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 29.73 3iuq n ARG 531 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iuq s LEU 532 N -2.88 2.38 -0.03 0.55 2.96 -0.99 0.27 118.68 120.94 3iuq s LEU 532 Ca 0.33 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3iuq s LEU 532 Cb 0.28 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 3iuq s LEU 532 CO 0.03 0.14 -0.20 0.00 -1.32 0.00 0.00 176.35 175.00 3iuq s ALA 533 N 0.45 1.75 -0.05 5.97 0.00 0.17 -0.85 121.76 129.20 3iuq s ALA 533 Ca -0.13 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 50.98 3iuq s ALA 533 Cb -0.17 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3iuq s ALA 533 CO 0.06 0.38 -0.08 0.96 0.00 0.00 0.00 175.76 177.08 3iuq s ILE 534 N -0.29 3.63 0.06 0.00 -4.36 -0.41 0.17 121.20 120.01 3iuq s ILE 534 Ca 0.03 -0.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.87 3iuq s ILE 534 Cb -0.10 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 3iuq s ILE 534 CO 0.01 0.56 -0.06 -0.60 0.24 0.00 0.00 174.94 175.08 3iuq s ARG 535 N -0.93 0.61 -0.21 0.37 3.52 0.76 -1.33 118.95 121.74 3iuq s ARG 535 Ca 0.13 -0.99 -0.32 0.00 -0.13 0.00 0.00 55.73 54.42 3iuq s ARG 535 Cb -0.11 -0.14 0.15 0.00 -1.56 0.00 0.00 34.95 33.29 3iuq s ARG 535 CO 0.03 -0.01 1.21 0.20 -0.81 0.00 0.00 175.30 175.92 3iuq s GLY 536 N -2.22 -0.18 -0.08 8.12 0.00 -1.19 -2.90 107.32 108.88 3iuq s GLY 536 Ca -0.01 2.03 0.03 0.00 0.00 0.00 0.00 44.72 46.76 3iuq s GLY 536 CO -0.03 0.79 -0.16 -0.32 0.00 0.00 0.00 173.10 173.38 3iuq s GLY 537 N -1.65 0.97 0.00 0.20 0.00 -1.26 -1.65 107.32 103.93 3iuq s GLY 537 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3iuq s GLY 537 CO -0.04 0.03 0.00 1.44 0.00 0.00 0.00 173.10 174.53 3iuq n SER 538 N 3.82 0.00 0.18 1.64 7.64 0.50 -1.67 113.62 125.74 3iuq n SER 538 Ca -0.21 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.73 3iuq n SER 538 Cb 0.52 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.99 3iuq n SER 538 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3iuq h ASN 539 N 0.00 0.00 1.51 6.43 -0.73 -1.90 -1.44 115.58 119.46 3iuq h ASN 539 Ca 0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 3iuq h ASN 539 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 3iuq h ASN 539 CO 0.00 0.37 -0.08 1.23 -0.37 0.00 0.00 177.43 178.58 3iuq h GLY 540 N 2.51 0.00 1.57 1.57 0.00 -1.51 -1.54 103.07 105.67 3iuq h GLY 540 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3iuq h GLY 540 CO 0.05 0.00 -0.92 -1.33 0.00 0.00 0.00 176.54 174.33 3iuq h GLY 541 N 3.11 0.43 0.94 4.60 0.00 -1.38 -2.20 103.07 108.58 3iuq h GLY 541 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3iuq h GLY 541 CO 0.01 0.67 0.03 -2.00 0.00 0.00 0.00 176.54 175.25 3iuq h LEU 542 N 0.22 0.68 -0.32 3.11 5.85 -0.99 -1.53 115.31 122.33 3iuq h LEU 542 Ca -0.07 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3iuq h LEU 542 Cb 1.56 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 3iuq h LEU 542 CO 0.16 0.80 -0.04 0.25 -0.34 0.00 0.00 178.44 179.27 3iuq h LEU 543 N 0.53 -0.21 -0.31 2.25 5.85 -1.16 0.18 115.31 122.45 3iuq h LEU 543 Ca 0.12 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3iuq h LEU 543 Cb 0.43 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3iuq h LEU 543 CO 0.02 -0.07 0.10 0.58 -0.34 0.00 0.00 178.44 178.73 3iuq h VAL 544 N 0.05 1.20 -0.55 1.05 2.07 -1.29 -1.28 116.25 117.50 3iuq h VAL 544 Ca 0.16 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3iuq h VAL 544 Cb 0.23 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3iuq h VAL 544 CO -0.30 0.21 0.34 1.23 0.02 0.00 0.00 177.57 179.08 3iuq h GLY 545 N 0.34 0.78 0.91 2.17 0.00 -0.81 0.15 103.07 106.61 3iuq h GLY 545 Ca 0.10 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 3iuq h GLY 545 CO -0.00 0.30 -0.61 0.00 0.00 0.00 0.00 176.54 176.23 3iuq h ALA 546 N 1.63 0.17 -0.29 3.60 0.00 -0.47 -2.99 119.26 120.91 3iuq h ALA 546 Ca 0.20 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 3iuq h ALA 546 Cb -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iuq h ALA 546 CO -0.04 0.43 -0.52 0.28 0.00 0.00 0.00 179.25 179.40 3iuq h VAL 547 N 0.12 1.28 0.00 0.00 2.07 -0.92 -2.06 116.25 116.74 3iuq h VAL 547 Ca -0.06 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 3iuq h VAL 547 Cb 1.27 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3iuq h VAL 547 CO 0.12 0.55 -0.12 0.00 0.02 0.00 0.00 177.57 178.15 3iuq h MET 548 N 0.64 0.00 0.00 1.57 -0.00 -1.07 0.29 114.93 116.36 3iuq h MET 548 Ca 0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.51 3iuq h MET 548 Cb 1.11 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.67 3iuq h MET 548 CO 0.11 0.12 -1.44 1.79 -0.00 0.00 0.00 176.91 177.49 3iuq h THR 549 N 0.00 0.71 0.09 -0.10 1.35 -1.45 -2.96 112.91 110.55 3iuq h THR 549 Ca -0.00 -2.34 -0.32 0.00 -0.55 0.00 0.00 66.41 63.20 3iuq h THR 549 Cb 0.63 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 3iuq h THR 549 CO 0.02 0.40 -1.71 1.56 -0.25 0.00 0.00 175.52 175.54 3iuq h GLN 550 N 0.00 0.20 -2.10 4.72 4.20 -1.18 -3.41 115.11 117.54 3iuq h GLN 550 Ca -0.19 -0.34 -0.54 0.00 0.06 0.00 0.00 58.65 57.64 3iuq h GLN 550 Cb 1.73 0.13 -0.41 0.00 0.30 0.00 0.00 27.48 29.23 3iuq h GLN 550 CO 0.06 1.00 -0.96 0.54 -0.67 0.00 0.00 178.83 178.81 3iuq n ARG 551 N -3.37 1.67 0.29 1.46 5.12 0.10 -4.91 116.66 117.02 3iuq n ARG 551 Ca -0.21 -3.88 0.18 0.00 -1.93 0.00 0.00 57.85 52.01 3iuq n ARG 551 Cb 1.05 -1.79 0.94 0.00 -1.16 0.00 0.00 32.46 31.49 3iuq n ARG 551 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3iuq h PRO 552 N 3.42 0.00 0.00 5.56 0.13 -1.68 0.06 132.00 139.49 3iuq h PRO 552 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3iuq h PRO 552 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3iuq h PRO 552 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 3iuq n ASP 553 N -3.25 0.26 0.20 1.44 5.75 -1.26 -4.03 116.55 115.66 3iuq n ASP 553 Ca -0.01 0.53 0.09 0.00 -0.01 0.00 0.00 54.79 55.40 3iuq n ASP 553 Cb 0.28 -0.60 0.16 0.00 -1.03 0.00 0.00 41.12 39.93 3iuq n ASP 553 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3iuq h LEU 554 N 0.00 0.00 -8.41 -2.12 5.85 -1.35 -3.48 115.31 105.80 3iuq h LEU 554 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3iuq h LEU 554 Cb 0.52 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.42 3iuq h LEU 554 CO 0.00 0.15 -0.47 0.00 -0.34 0.00 0.00 178.44 177.78 3iuq s MET 555 N -3.17 1.22 -0.16 1.25 0.23 -1.26 -4.81 119.30 112.59 3iuq s MET 555 Ca 0.06 -1.45 0.12 0.00 -1.03 0.00 0.00 55.69 53.39 3iuq s MET 555 Cb 0.06 0.32 -0.23 0.00 -1.53 0.00 0.00 34.83 33.45 3iuq s MET 555 CO 0.69 -0.42 0.19 -2.13 -2.03 0.00 0.00 175.02 171.31 3iuq n ARG 556 N -0.25 0.67 -4.04 3.16 3.00 -0.03 -4.62 116.66 114.55 3iuq n ARG 556 Ca -0.02 0.12 -0.16 0.00 -0.00 0.00 0.00 57.85 57.79 3iuq n ARG 556 Cb 0.64 -1.61 -0.15 0.00 0.00 0.00 0.00 32.46 31.35 3iuq n ARG 556 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3iuq s VAL 557 N -2.53 0.29 -0.10 5.15 1.01 -1.02 -1.72 120.40 121.48 3iuq s VAL 557 Ca -0.14 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3iuq s VAL 557 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3iuq s VAL 557 CO 0.78 0.13 -0.23 0.00 0.00 0.00 0.00 175.10 175.77 3iuq s ALA 558 N 0.43 2.12 -0.62 5.51 0.00 -0.48 -1.28 121.76 127.44 3iuq s ALA 558 Ca -0.04 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3iuq s ALA 558 Cb -0.08 -0.79 0.20 0.00 0.00 0.00 0.00 23.12 22.45 3iuq s ALA 558 CO -0.01 0.28 0.54 1.28 0.00 0.00 0.00 175.76 177.85 3iuq n LEU 559 N 3.52 2.39 -4.61 0.00 4.77 -0.44 -2.01 117.00 120.61 3iuq n LEU 559 Ca -0.19 -5.09 -0.43 0.00 -0.03 0.00 0.00 56.01 50.27 3iuq n LEU 559 Cb 0.53 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3iuq n LEU 559 CO 0.28 1.88 0.80 -2.16 -1.33 0.00 0.00 177.39 176.86 3iuq s PRO 560 N -1.45 3.89 -0.14 3.23 0.04 -1.26 -3.14 135.00 136.17 3iuq s PRO 560 Ca 0.31 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 3iuq s PRO 560 Cb 0.04 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 3iuq s PRO 560 CO -0.13 -0.94 -0.01 0.00 0.04 0.00 0.00 177.00 175.96 3iuq s ALA 561 N 3.52 3.14 -1.76 8.56 0.00 -0.66 -2.16 121.76 132.40 3iuq s ALA 561 Ca 0.40 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 3iuq s ALA 561 Cb -0.12 -1.59 0.17 0.00 0.00 0.00 0.00 23.12 21.58 3iuq s ALA 561 CO 0.18 0.31 0.43 0.28 0.00 0.00 0.00 175.76 176.96 3iuq n VAL 562 N 3.16 -0.26 -2.36 0.00 0.31 0.39 -0.37 118.33 119.21 3iuq n VAL 562 Ca -0.17 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 3iuq n VAL 562 Cb 0.53 -0.62 -0.01 0.00 -0.91 0.00 0.00 33.84 32.83 3iuq n VAL 562 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iuq s GLY 563 N -3.50 1.76 -0.45 2.92 0.00 -1.26 -3.11 107.32 103.68 3iuq s GLY 563 Ca 0.61 -0.16 -0.22 0.00 0.00 0.00 0.00 44.72 44.95 3iuq s GLY 563 CO 1.00 0.07 0.71 0.14 0.00 0.00 0.00 173.10 175.03 3iuq s VAL 564 N -2.80 4.74 -0.11 1.40 1.01 -1.03 -4.34 120.40 119.28 3iuq s VAL 564 Ca 0.53 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.80 3iuq s VAL 564 Cb -0.10 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3iuq s VAL 564 CO 0.43 -0.66 0.11 0.18 0.00 0.00 0.00 175.10 175.15 3iuq n LEU 565 N 6.49 0.11 -4.11 3.92 4.77 -1.26 -3.99 117.00 122.92 3iuq n LEU 565 Ca 0.00 -0.39 -0.37 0.00 -0.03 0.00 0.00 56.01 55.22 3iuq n LEU 565 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3iuq n LEU 565 CO 0.56 0.03 0.10 -0.62 -1.33 0.00 0.00 177.39 176.12 3iuq s ASP 566 N -1.49 5.39 0.00 -1.43 -1.08 -1.26 -1.22 116.67 115.58 3iuq s ASP 566 Ca 0.01 -2.94 0.16 0.00 -0.52 0.00 0.00 52.55 49.25 3iuq s ASP 566 Cb 0.02 -1.88 0.69 0.00 -1.46 0.00 0.00 42.92 40.29 3iuq s ASP 566 CO 0.12 -0.36 1.49 0.23 0.52 0.00 0.00 175.17 177.17 3iuq n MET 567 N 3.38 0.05 0.07 4.34 2.81 -1.26 -1.42 117.12 125.08 3iuq n MET 567 Ca 0.10 0.21 0.01 0.00 -1.81 0.00 0.00 57.70 56.21 3iuq n MET 567 Cb 0.38 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 3iuq n MET 567 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3iuq h LEU 568 N 0.00 0.00 -0.67 4.03 4.07 -1.92 -3.40 115.31 117.42 3iuq h LEU 568 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3iuq h LEU 568 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3iuq h LEU 568 CO 0.00 0.52 0.00 0.54 -1.08 0.00 0.00 178.44 178.42 3iuq n ARG 569 N -2.96 -0.40 -0.26 1.13 1.74 -1.12 -4.62 116.66 110.17 3iuq n ARG 569 Ca -0.06 -0.34 0.21 0.00 -0.77 0.00 0.00 57.85 56.90 3iuq n ARG 569 Cb 0.79 -0.83 0.54 0.00 -1.02 0.00 0.00 32.46 31.94 3iuq n ARG 569 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iuq h TYR 570 N 0.00 0.51 0.00 -1.55 -0.00 -1.45 -1.67 116.97 112.81 3iuq h TYR 570 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3iuq h TYR 570 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 36.71 3iuq h TYR 570 CO 0.00 0.11 0.00 1.12 -0.00 0.00 0.00 178.16 179.39 3iuq h HIS 571 N 0.36 0.00 -0.00 0.10 2.07 -1.87 -2.99 115.15 112.81 3iuq h HIS 571 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 3iuq h HIS 571 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3iuq h HIS 571 CO -0.00 0.00 -0.08 0.25 -3.07 0.00 0.00 177.93 175.03 3iuq n THR 572 N -2.57 0.00 -3.32 6.12 -2.24 -0.63 -3.58 114.28 108.06 3iuq n THR 572 Ca 0.04 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 3iuq n THR 572 Cb 0.42 -0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3iuq n THR 572 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iuq s PHE 573 N -2.72 1.51 0.00 4.78 0.08 -1.13 -5.01 117.98 115.49 3iuq s PHE 573 Ca 0.22 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.52 3iuq s PHE 573 Cb 0.20 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3iuq s PHE 573 CO 0.51 -0.91 0.00 2.41 -0.10 0.00 0.00 175.22 177.13 3iuq n THR 574 N -2.07 0.00 1.83 0.64 -1.04 -1.26 -2.50 114.28 109.88 3iuq n THR 574 Ca 0.10 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.22 3iuq n THR 574 Cb 0.62 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.79 3iuq n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iuq n ALA 575 N 0.00 2.55 0.27 2.41 0.00 -1.26 -3.64 120.51 120.84 3iuq n ALA 575 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.40 3iuq n ALA 575 Cb 0.00 -1.36 0.73 0.00 0.00 0.00 0.00 19.45 18.82 3iuq n ALA 575 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iuq h GLY 576 N 4.80 0.00 2.00 0.00 0.00 -1.69 -1.69 103.07 106.49 3iuq h GLY 576 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iuq h GLY 576 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.63 3iuq h THR 577 N 0.00 0.00 -0.42 4.70 1.35 -1.60 -2.60 112.91 114.34 3iuq h THR 577 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3iuq h THR 577 Cb 0.04 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 3iuq h THR 577 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3iuq n GLY 578 N -0.89 1.67 0.96 5.82 0.00 -0.63 -4.42 105.19 107.70 3iuq n GLY 578 Ca -0.01 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.38 3iuq n GLY 578 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iuq n TRP 579 N 1.39 0.84 0.08 1.61 8.01 -0.98 -2.24 117.44 126.15 3iuq n TRP 579 Ca 0.20 -0.61 0.12 0.00 -1.31 0.00 0.00 57.50 55.89 3iuq n TRP 579 Cb 0.58 -0.14 0.59 0.00 -2.01 0.00 0.00 31.31 30.33 3iuq n TRP 579 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3iuq h ALA 580 N 2.61 2.10 -0.80 6.99 0.00 -1.77 -1.87 119.26 126.52 3iuq h ALA 580 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3iuq h ALA 580 Cb 1.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3iuq h ALA 580 CO 0.10 -0.18 0.51 -0.92 0.00 0.00 0.00 179.25 178.77 3iuq h TYR 581 N 0.16 0.96 0.07 0.00 3.20 -1.93 0.31 116.97 119.74 3iuq h TYR 581 Ca 0.15 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.76 3iuq h TYR 581 Cb 0.39 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3iuq h TYR 581 CO -0.00 0.55 -1.49 -0.44 -1.64 0.00 0.00 178.16 175.13 3iuq h ASP 582 N 0.99 0.24 0.00 -2.11 3.32 -1.78 -3.40 116.42 113.68 3iuq h ASP 582 Ca 0.32 -0.35 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 3iuq h ASP 582 Cb 0.02 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3iuq h ASP 582 CO -0.12 1.29 -1.64 -1.22 -1.72 0.00 0.00 179.24 175.84 3iuq n TYR 583 N -3.35 0.00 -0.40 4.55 4.01 -0.76 0.07 117.16 121.29 3iuq n TYR 583 Ca -0.14 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.65 3iuq n TYR 583 Cb 1.03 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 39.61 3iuq n TYR 583 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iuq n GLY 584 N 2.24 -1.97 3.26 2.72 0.00 0.11 -4.52 105.19 107.04 3iuq n GLY 584 Ca -0.12 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 3iuq n GLY 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iuq s THR 585 N -2.10 1.30 -1.29 2.61 -4.23 -1.26 -4.77 115.64 105.90 3iuq s THR 585 Ca 0.00 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 3iuq s THR 585 Cb 0.00 -1.82 0.15 0.00 1.34 0.00 0.00 72.50 72.17 3iuq s THR 585 CO 0.00 -0.66 1.25 -1.54 -0.54 0.00 0.00 174.62 173.13 3iuq n SER 586 N -0.09 0.00 -0.00 3.99 3.41 -1.26 -1.77 113.62 117.90 3iuq n SER 586 Ca -0.11 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.86 3iuq n SER 586 Cb 0.60 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 64.07 3iuq n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iuq n ALA 587 N -1.36 4.68 -0.02 7.33 0.00 -1.26 -4.51 120.51 125.36 3iuq n ALA 587 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 3iuq n ALA 587 Cb 0.09 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 3iuq n ALA 587 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iuq h ASP 588 N 0.00 0.17 -5.45 0.00 3.32 -1.76 -3.48 116.42 109.23 3iuq h ASP 588 Ca 0.00 -0.08 0.20 0.00 0.02 0.00 0.00 57.03 57.17 3iuq h ASP 588 Cb 0.51 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3iuq h ASP 588 CO 0.00 0.20 0.59 -0.94 -1.72 0.00 0.00 179.24 177.37 3iuq s SER 589 N -5.42 -0.08 0.21 6.45 1.04 -1.26 -5.01 113.70 109.64 3iuq s SER 589 Ca -0.13 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.85 3iuq s SER 589 Cb 0.07 0.43 0.17 0.00 0.10 0.00 0.00 66.02 66.79 3iuq s SER 589 CO 0.69 -0.83 1.51 -0.08 0.98 0.00 0.00 173.24 175.51 3iuq h GLU 590 N 2.00 0.31 -0.61 4.02 4.81 -1.92 -0.41 114.58 122.79 3iuq h GLU 590 Ca -0.26 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 3iuq h GLU 590 Cb 1.22 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 3iuq h GLU 590 CO 0.30 0.85 0.17 0.00 -0.73 0.00 0.00 179.01 179.60 3iuq h ALA 591 N 1.09 0.80 -0.23 2.92 0.00 -1.98 0.92 119.26 122.78 3iuq h ALA 591 Ca -0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 3iuq h ALA 591 Cb 1.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3iuq h ALA 591 CO 0.11 0.48 -0.64 1.98 0.00 0.00 0.00 179.25 181.18 3iuq h MET 592 N 0.87 0.81 -0.26 0.00 1.85 -1.87 -1.62 114.93 114.71 3iuq h MET 592 Ca 0.19 -0.57 -0.00 0.00 -0.61 0.00 0.00 59.70 58.71 3iuq h MET 592 Cb 0.32 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 3iuq h MET 592 CO -0.00 1.19 0.16 0.35 -0.40 0.00 0.00 176.91 178.21 3iuq h PHE 593 N 0.59 0.34 -0.84 1.39 3.57 -0.86 -0.43 116.94 120.71 3iuq h PHE 593 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3iuq h PHE 593 Cb 1.25 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 3iuq h PHE 593 CO 0.07 0.25 0.47 -0.44 -2.23 0.00 0.00 178.31 176.43 3iuq h ASP 594 N 0.33 1.04 -0.19 0.41 3.32 -0.77 0.14 116.42 120.70 3iuq h ASP 594 Ca 0.09 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3iuq h ASP 594 Cb 0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3iuq h ASP 594 CO -0.02 0.83 0.09 0.22 -1.72 0.00 0.00 179.24 178.64 3iuq h TYR 595 N 1.16 0.28 -0.51 4.55 3.20 -0.94 -0.18 116.97 124.53 3iuq h TYR 595 Ca 0.30 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3iuq h TYR 595 Cb 0.02 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3iuq h TYR 595 CO 0.00 0.31 0.21 -0.07 -1.64 0.00 0.00 178.16 176.98 3iuq h LEU 596 N 0.17 0.69 -1.64 2.82 3.38 -0.74 -1.96 115.31 118.04 3iuq h LEU 596 Ca 0.07 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3iuq h LEU 596 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3iuq h LEU 596 CO -0.01 0.66 -0.20 0.50 0.09 0.00 0.00 178.44 179.49 3iuq h LYS 597 N 0.68 0.00 0.00 1.13 3.64 -0.60 0.13 116.57 121.55 3iuq h LYS 597 Ca 0.17 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3iuq h LYS 597 Cb 0.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3iuq h LYS 597 CO -0.02 0.20 -0.18 0.78 -2.27 0.00 0.00 179.45 177.96 3iuq h GLY 598 N 0.96 0.00 0.00 5.01 0.00 -0.22 -3.33 103.07 105.49 3iuq h GLY 598 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iuq h GLY 598 CO 0.03 0.00 -0.22 1.58 0.00 0.00 0.00 176.54 177.93 3iuq n TYR 599 N -3.77 0.00 -1.51 5.60 0.18 -0.99 -5.02 117.16 111.65 3iuq n TYR 599 Ca -0.02 0.00 -0.58 0.00 1.88 0.00 0.00 57.90 59.19 3iuq n TYR 599 Cb 0.29 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.16 3iuq n TYR 599 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3iuq n SER 600 N -0.78 1.70 -0.12 9.48 2.88 0.41 -4.74 113.62 122.45 3iuq n SER 600 Ca 0.00 0.79 -0.05 0.00 -1.33 0.00 0.00 58.87 58.28 3iuq n SER 600 Cb 0.00 -1.07 0.01 0.00 -0.75 0.00 0.00 64.21 62.40 3iuq n SER 600 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iuq h PRO 601 N 8.88 -0.02 -0.88 -1.46 0.11 -1.83 -1.56 132.00 135.25 3iuq h PRO 601 Ca -0.30 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.94 3iuq h PRO 601 Cb 1.35 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.40 3iuq h PRO 601 CO 1.02 -0.01 0.57 1.25 -0.21 0.00 0.00 178.00 180.61 3iuq h LEU 602 N -0.02 0.67 -1.35 2.35 5.85 -1.48 -1.14 115.31 120.19 3iuq h LEU 602 Ca 0.19 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3iuq h LEU 602 Cb 0.31 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3iuq h LEU 602 CO -0.42 0.35 0.00 1.41 -0.34 0.00 0.00 178.44 179.44 3iuq n HIS 603 N -4.55 0.24 -0.04 1.25 8.25 -0.67 -3.98 115.22 115.72 3iuq n HIS 603 Ca 0.17 -0.12 0.01 0.00 -0.26 0.00 0.00 57.72 57.52 3iuq n HIS 603 Cb 0.44 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.59 3iuq n HIS 603 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3iuq n ASN 604 N 0.56 2.20 -4.71 0.41 3.02 -0.44 -4.95 115.26 111.35 3iuq n ASN 604 Ca 0.17 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.34 3iuq n ASN 604 Cb 0.39 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3iuq n ASN 604 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iuq s VAL 605 N -0.96 4.89 0.01 2.41 1.01 -1.15 -4.87 120.40 121.74 3iuq s VAL 605 Ca 0.06 1.91 0.08 0.00 0.00 0.00 0.00 61.98 64.03 3iuq s VAL 605 Cb 0.03 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3iuq s VAL 605 CO 0.04 0.15 -0.23 -0.13 0.00 0.00 0.00 175.10 174.92 3iuq s ARG 606 N 1.18 2.04 0.14 2.72 0.52 -1.26 -5.08 118.95 119.21 3iuq s ARG 606 Ca 0.48 -0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 3iuq s ARG 606 Cb -0.20 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 3iuq s ARG 606 CO 0.24 0.55 1.55 -2.14 0.02 0.00 0.00 175.30 175.52 3iuq s PRO 607 N -1.00 4.23 0.00 3.54 0.02 -1.26 -2.84 135.00 137.68 3iuq s PRO 607 Ca 0.12 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3iuq s PRO 607 Cb -0.10 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3iuq s PRO 607 CO 0.01 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3iuq n GLY 608 N 3.76 0.55 3.85 0.52 0.00 -0.88 -5.05 105.19 107.93 3iuq n GLY 608 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3iuq n GLY 608 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iuq s VAL 609 N -2.25 4.94 -0.59 1.61 1.01 -1.13 -4.66 120.40 119.33 3iuq s VAL 609 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 3iuq s VAL 609 Cb 0.00 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.80 3iuq s VAL 609 CO 0.00 0.31 0.59 -0.55 0.00 0.00 0.00 175.10 175.45 3iuq s SER 610 N -1.62 6.26 0.52 3.32 0.15 -1.26 -1.04 113.70 120.02 3iuq s SER 610 Ca 0.34 -1.81 -0.10 0.00 0.70 0.00 0.00 55.95 55.08 3iuq s SER 610 Cb -0.15 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 3iuq s SER 610 CO 0.18 -0.89 0.90 -0.31 1.20 0.00 0.00 173.24 174.31 3iuq s TYR 611 N 1.72 3.55 1.06 3.44 2.02 -1.26 -4.75 117.35 123.13 3iuq s TYR 611 Ca 0.07 1.12 -0.15 0.00 -0.37 0.00 0.00 57.07 57.74 3iuq s TYR 611 Cb -0.26 -2.54 0.22 0.00 -0.40 0.00 0.00 41.96 38.98 3iuq s TYR 611 CO 0.02 -0.40 1.11 -1.25 -1.57 0.00 0.00 175.55 173.46 3iuq s PRO 612 N -4.62 -0.11 0.10 -1.71 0.04 -1.26 -4.59 135.00 122.85 3iuq s PRO 612 Ca 0.52 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.51 3iuq s PRO 612 Cb -0.10 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 3iuq s PRO 612 CO 0.43 -3.04 1.51 -1.12 0.04 0.00 0.00 177.00 174.82 3iuq s SER 613 N -3.70 6.71 -0.02 6.66 0.01 -0.70 -4.79 113.70 117.87 3iuq s SER 613 Ca 0.67 2.41 0.08 0.00 1.31 0.00 0.00 55.95 60.42 3iuq s SER 613 Cb -0.15 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 3iuq s SER 613 CO 0.57 -0.77 -0.26 -0.89 0.41 0.00 0.00 173.24 172.30 3iuq s THR 614 N 1.71 2.02 -0.48 1.44 2.01 -0.47 -1.39 115.64 120.48 3iuq s THR 614 Ca 0.68 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 61.62 3iuq s THR 614 Cb -0.39 -1.68 0.14 0.00 0.01 0.00 0.00 72.50 70.59 3iuq s THR 614 CO 0.30 0.57 0.27 -0.32 -0.69 0.00 0.00 174.62 174.75 3iuq s MET 615 N -0.58 1.57 -0.04 4.92 -2.45 -0.85 -0.54 119.30 121.33 3iuq s MET 615 Ca 0.09 -2.30 -0.30 0.00 -1.25 0.00 0.00 55.69 51.93 3iuq s MET 615 Cb -0.10 -2.68 -0.03 0.00 1.25 0.00 0.00 34.83 33.27 3iuq s MET 615 CO -0.01 -1.17 1.12 0.08 1.05 0.00 0.00 175.02 176.10 3iuq s VAL 616 N 0.00 4.44 0.03 10.11 1.01 -0.05 -3.98 120.40 131.95 3iuq s VAL 616 Ca 0.19 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.98 3iuq s VAL 616 Cb -0.22 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3iuq s VAL 616 CO -0.02 0.04 -0.20 0.42 0.00 0.00 0.00 175.10 175.34 3iuq s THR 617 N 1.80 2.62 -0.17 3.92 -4.23 -0.92 -0.47 115.64 118.19 3iuq s THR 617 Ca 0.54 -1.17 -0.33 0.00 -1.18 0.00 0.00 61.69 59.55 3iuq s THR 617 Cb -0.23 -2.06 0.14 0.00 1.34 0.00 0.00 72.50 71.68 3iuq s THR 617 CO 0.23 0.39 1.16 0.28 -0.54 0.00 0.00 174.62 176.14 3iuq s THR 618 N -0.85 0.00 0.59 3.99 -1.32 -1.11 -0.46 115.64 116.48 3iuq s THR 618 Ca 0.13 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.54 3iuq s THR 618 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3iuq s THR 618 CO 0.03 0.00 0.92 0.00 -2.21 0.00 0.00 174.62 173.36 3iuq s ALA 619 N -2.32 3.25 0.29 11.08 0.00 -1.26 -0.41 121.76 132.40 3iuq s ALA 619 Ca 0.08 -0.59 0.17 0.00 0.00 0.00 0.00 51.96 51.62 3iuq s ALA 619 Cb -0.01 -2.68 0.78 0.00 0.00 0.00 0.00 23.12 21.21 3iuq s ALA 619 CO -0.05 -0.77 1.81 0.38 0.00 0.00 0.00 175.76 177.12 3iuq h ASP 620 N -0.19 0.00 -3.52 0.00 3.04 -1.34 -3.43 116.42 110.98 3iuq h ASP 620 Ca -0.45 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.11 3iuq h ASP 620 Cb 1.24 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 39.23 3iuq h ASP 620 CO 0.61 0.36 -0.58 -1.00 -2.04 0.00 0.00 179.24 176.59 3iuq s HIS 621 N -3.92 -0.17 -0.10 4.15 3.76 -1.26 -4.83 115.29 112.92 3iuq s HIS 621 Ca -0.02 0.46 -0.07 0.00 -0.15 0.00 0.00 55.06 55.28 3iuq s HIS 621 Cb 0.13 -0.04 0.04 0.00 1.11 0.00 0.00 32.58 33.81 3iuq s HIS 621 CO 0.69 -0.14 0.26 1.21 -0.85 0.00 0.00 174.74 175.91 3iuq s ASN 622 N 0.88 -0.28 -0.04 1.40 3.04 -1.26 -4.96 114.94 113.71 3iuq s ASN 622 Ca -0.07 0.54 -0.22 0.00 0.04 0.00 0.00 52.86 53.15 3iuq s ASN 622 Cb -0.09 0.49 -0.28 0.00 -1.54 0.00 0.00 41.25 39.83 3iuq s ASN 622 CO -0.04 -0.13 0.95 0.44 -3.04 0.00 0.00 177.10 175.28 3iuq h ASP 623 N 6.45 0.40 0.53 -4.21 3.32 -1.96 -3.36 116.42 117.59 3iuq h ASP 623 Ca -0.33 -0.89 -0.03 0.00 0.02 0.00 0.00 57.03 55.81 3iuq h ASP 623 Cb 1.18 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.60 3iuq h ASP 623 CO 0.36 1.25 -0.25 -0.09 -1.72 0.00 0.00 179.24 178.78 3iuq h ARG 624 N -0.39 -0.68 -4.84 3.56 9.65 -1.97 -3.39 114.38 116.31 3iuq h ARG 624 Ca -0.09 0.05 -0.67 0.00 -1.10 0.00 0.00 59.98 58.16 3iuq h ARG 624 Cb 1.40 0.15 -0.36 0.00 -1.39 0.00 0.00 29.97 29.78 3iuq h ARG 624 CO 0.11 -0.39 -0.78 0.08 2.80 0.00 0.00 179.97 181.80 3iuq s VAL 625 N -4.35 2.34 0.31 0.20 1.01 -1.26 -4.21 120.40 114.43 3iuq s VAL 625 Ca -0.13 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 59.94 3iuq s VAL 625 Cb 0.01 -2.39 -0.11 0.00 0.00 0.00 0.00 36.38 33.90 3iuq s VAL 625 CO 0.42 -0.07 1.46 0.68 0.00 0.00 0.00 175.10 177.59 3iuq s VAL 626 N 1.12 2.39 0.51 2.92 -7.23 -1.26 -4.62 120.40 114.23 3iuq s VAL 626 Ca -0.07 0.36 0.30 0.00 -1.81 0.00 0.00 61.98 60.75 3iuq s VAL 626 Cb -0.20 -3.23 0.49 0.00 0.56 0.00 0.00 36.38 34.00 3iuq s VAL 626 CO -0.04 0.07 1.84 -0.65 -0.31 0.00 0.00 175.10 176.01 3iuq h PRO 627 N 4.16 0.09 -0.96 4.82 0.11 -1.84 -2.45 132.00 135.92 3iuq h PRO 627 Ca -0.48 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 65.92 3iuq h PRO 627 Cb 1.23 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 3iuq h PRO 627 CO 0.72 0.06 0.42 0.00 -0.21 0.00 0.00 178.00 178.99 3iuq h ALA 628 N 1.52 1.69 0.15 -0.75 0.00 -1.83 0.21 119.26 120.24 3iuq h ALA 628 Ca 0.50 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.64 3iuq h ALA 628 Cb 1.82 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 3iuq h ALA 628 CO -0.06 -0.56 -0.33 0.45 0.00 0.00 0.00 179.25 178.75 3iuq h HIS 629 N 0.25 -0.89 -0.56 0.00 3.86 -1.73 -0.62 115.15 115.46 3iuq h HIS 629 Ca 0.67 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.79 3iuq h HIS 629 Cb 1.49 0.37 -0.02 0.00 1.06 0.00 0.00 27.41 30.32 3iuq h HIS 629 CO -0.13 -0.44 -0.07 0.77 0.86 0.00 0.00 177.93 178.92 3iuq h SER 630 N -0.57 1.04 0.21 2.45 0.02 -1.09 -2.01 113.55 113.60 3iuq h SER 630 Ca 0.02 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3iuq h SER 630 Cb 0.59 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3iuq h SER 630 CO -0.17 1.12 -0.17 -0.26 -1.14 0.00 0.00 176.83 176.21 3iuq h PHE 631 N 0.93 -0.44 -0.54 3.45 0.04 -0.52 -0.41 116.94 119.45 3iuq h PHE 631 Ca 0.15 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 3iuq h PHE 631 Cb 0.64 0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 3iuq h PHE 631 CO 0.04 -0.26 -0.07 0.87 -0.60 0.00 0.00 178.31 178.29 3iuq h LYS 632 N -0.39 0.99 -0.15 1.51 1.57 -1.13 -1.90 116.57 117.06 3iuq h LYS 632 Ca -0.01 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3iuq h LYS 632 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3iuq h LYS 632 CO -0.01 1.02 0.06 0.35 -0.57 0.00 0.00 179.45 180.30 3iuq h PHE 633 N 0.89 0.22 -0.66 -1.35 3.57 -1.21 -0.68 116.94 117.73 3iuq h PHE 633 Ca 0.15 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3iuq h PHE 633 Cb 0.62 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3iuq h PHE 633 CO 0.04 0.29 0.43 0.00 -2.23 0.00 0.00 178.31 176.84 3iuq h ALA 634 N 0.91 0.84 -0.58 2.41 0.00 -1.00 -0.44 119.26 121.41 3iuq h ALA 634 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iuq h ALA 634 Cb 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3iuq h ALA 634 CO -0.00 0.25 0.27 0.00 0.00 0.00 0.00 179.25 179.77 3iuq h ALA 635 N 1.25 0.74 -0.61 0.00 0.00 -1.19 -1.46 119.26 117.99 3iuq h ALA 635 Ca 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3iuq h ALA 635 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3iuq h ALA 635 CO -0.06 0.31 0.14 1.15 0.00 0.00 0.00 179.25 180.79 3iuq h THR 636 N 0.78 1.25 -0.74 0.00 2.02 -0.69 -2.59 112.91 112.96 3iuq h THR 636 Ca 0.20 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 3iuq h THR 636 Cb 0.13 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3iuq h THR 636 CO -0.02 0.35 0.28 -0.07 0.37 0.00 0.00 175.52 176.42 3iuq h LEU 637 N 0.90 1.03 -1.45 2.58 3.38 -0.82 -1.60 115.31 119.33 3iuq h LEU 637 Ca 0.19 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3iuq h LEU 637 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3iuq h LEU 637 CO 0.00 0.94 -0.28 1.56 0.09 0.00 0.00 178.44 180.75 3iuq h GLN 638 N 1.07 0.00 0.00 1.13 4.20 -1.06 -0.19 115.11 120.26 3iuq h GLN 638 Ca 0.24 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.71 3iuq h GLN 638 Cb 0.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3iuq h GLN 638 CO -0.02 0.28 -1.29 0.00 -0.67 0.00 0.00 178.83 177.13 3iuq h ALA 639 N 1.72 0.54 0.00 3.87 0.00 -1.21 -3.39 119.26 120.79 3iuq h ALA 639 Ca -0.00 -1.14 -0.35 0.00 0.00 0.00 0.00 54.91 53.42 3iuq h ALA 639 Cb 0.52 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3iuq h ALA 639 CO 0.04 1.38 -2.20 -0.25 0.00 0.00 0.00 179.25 178.22 3iuq n ASP 640 N -3.21 0.44 -4.69 0.00 9.92 -0.62 -4.95 116.55 113.44 3iuq n ASP 640 Ca -0.07 0.11 -0.44 0.00 -0.53 0.00 0.00 54.79 53.86 3iuq n ASP 640 Cb 0.98 0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 41.98 3iuq n ASP 640 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3iuq n ASN 641 N -2.89 3.42 -0.13 -2.24 5.15 -0.10 -2.08 115.26 116.40 3iuq n ASN 641 Ca -0.29 1.09 -0.22 0.00 -0.60 0.00 0.00 54.58 54.56 3iuq n ASN 641 Cb 1.12 -1.49 -0.11 0.00 -0.53 0.00 0.00 39.78 38.76 3iuq n ASN 641 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iuq n ALA 642 N 3.33 1.33 -0.65 5.20 0.00 -0.21 -4.87 120.51 124.66 3iuq n ALA 642 Ca 0.15 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 3iuq n ALA 642 Cb 0.32 -0.07 0.13 0.00 0.00 0.00 0.00 19.45 19.84 3iuq n ALA 642 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuq n GLY 643 N 1.94 -3.66 0.55 0.00 0.00 -1.26 -4.92 105.19 97.84 3iuq n GLY 643 Ca -0.48 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.45 3iuq n GLY 643 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iuq n PRO 644 N -3.58 1.73 -2.85 1.61 -0.04 -1.26 -4.91 135.00 125.70 3iuq n PRO 644 Ca 0.06 -1.10 -0.41 0.00 -0.04 0.00 0.00 63.50 62.02 3iuq n PRO 644 Cb 0.27 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 3iuq n PRO 644 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iuq s HIS 645 N -1.79 3.69 0.18 0.54 3.76 -1.26 -5.02 115.29 115.38 3iuq s HIS 645 Ca 0.32 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.50 3iuq s HIS 645 Cb 0.17 -2.97 -0.08 0.00 1.11 0.00 0.00 32.58 30.82 3iuq s HIS 645 CO 0.26 0.12 1.19 -1.25 -0.85 0.00 0.00 174.74 174.22 3iuq s PRO 646 N 0.52 4.49 -0.55 8.40 0.04 -1.26 -4.80 135.00 141.85 3iuq s PRO 646 Ca 0.45 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 3iuq s PRO 646 Cb -0.21 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.23 3iuq s PRO 646 CO 0.25 -0.08 0.42 -0.65 0.04 0.00 0.00 177.00 176.97 3iuq s GLN 647 N -0.23 2.63 0.28 4.56 -1.52 -1.26 -1.37 119.66 122.76 3iuq s GLN 647 Ca 0.53 -2.02 0.09 0.00 -1.95 0.00 0.00 55.36 52.01 3iuq s GLN 647 Cb -0.32 -3.94 -0.04 0.00 -0.22 0.00 0.00 33.01 28.48 3iuq s GLN 647 CO 0.36 -1.20 0.03 -0.51 -0.25 0.00 0.00 175.29 173.72 3iuq s LEU 648 N 0.90 3.22 -0.03 2.90 1.43 0.30 -4.75 118.68 122.65 3iuq s LEU 648 Ca 0.10 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3iuq s LEU 648 Cb -0.23 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3iuq s LEU 648 CO -0.03 -0.06 0.01 -0.51 0.23 0.00 0.00 176.35 175.99 3iuq s ILE 649 N -2.34 0.15 -0.35 -0.59 2.07 -1.26 -0.87 121.20 118.00 3iuq s ILE 649 Ca 0.33 0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.64 3iuq s ILE 649 Cb -0.05 -0.27 0.06 0.00 0.13 0.00 0.00 42.46 42.32 3iuq s ILE 649 CO 0.21 0.16 0.12 -0.60 -1.91 0.00 0.00 174.94 172.91 3iuq s ARG 650 N 1.22 2.51 -0.34 3.50 3.52 0.38 -4.39 118.95 125.35 3iuq s ARG 650 Ca -0.07 -1.32 -0.15 0.00 -0.13 0.00 0.00 55.73 54.07 3iuq s ARG 650 Cb -0.13 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 3iuq s ARG 650 CO -0.02 -0.75 0.33 0.42 -0.81 0.00 0.00 175.30 174.46 3iuq s ILE 651 N 1.35 5.20 0.25 4.11 1.09 -1.26 -2.76 121.20 129.19 3iuq s ILE 651 Ca -0.00 -0.03 -0.30 0.00 -1.10 0.00 0.00 60.65 59.22 3iuq s ILE 651 Cb -0.21 -3.79 -0.09 0.00 -1.06 0.00 0.00 42.46 37.31 3iuq s ILE 651 CO 0.01 -0.07 1.23 -0.70 -0.10 0.00 0.00 174.94 175.31 3iuq s GLU 652 N 1.93 4.47 0.00 2.79 2.56 0.45 -4.80 118.70 126.10 3iuq s GLU 652 Ca 0.10 1.99 0.00 0.00 0.00 0.00 0.00 54.97 57.06 3iuq s GLU 652 Cb -0.17 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.79 3iuq s GLU 652 CO 0.11 -0.07 0.02 0.25 -0.56 0.00 0.00 175.26 175.01 3iuq n THR 653 N 1.72 0.00 0.00 -1.70 -2.24 -1.26 -0.93 114.28 109.87 3iuq n THR 653 Ca 0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3iuq n THR 653 Cb 0.43 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3iuq n THR 653 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3iuq n THR 661 N -0.50 0.00 -0.03 4.28 -1.04 -1.26 -4.98 114.28 110.75 3iuq n THR 661 Ca 0.00 0.65 -0.07 0.00 -2.04 0.00 0.00 64.05 62.58 3iuq n THR 661 Cb 0.01 -1.29 -0.02 0.00 -1.82 0.00 0.00 70.33 67.21 3iuq n THR 661 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3iuq n PRO 662 N -0.76 0.18 0.19 -2.82 -0.02 -1.26 -4.03 135.00 126.48 3iuq n PRO 662 Ca 0.00 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 3iuq n PRO 662 Cb 0.00 -0.80 0.39 0.00 -0.02 0.00 0.00 33.50 33.07 3iuq n PRO 662 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3iuq h VAL 663 N -0.31 1.09 0.00 -1.45 -1.51 -1.97 0.67 116.25 112.77 3iuq h VAL 663 Ca -0.16 -1.31 -0.09 0.00 -1.23 0.00 0.00 66.70 63.91 3iuq h VAL 663 Cb 0.94 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 3iuq h VAL 663 CO -0.10 0.35 -0.44 0.00 -1.23 0.00 0.00 177.57 176.16 3iuq h ALA 664 N 1.64 0.78 0.00 5.19 0.00 -2.00 -1.51 119.26 123.37 3iuq h ALA 664 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 3iuq h ALA 664 Cb 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3iuq h ALA 664 CO 0.05 0.55 -1.25 0.87 0.00 0.00 0.00 179.25 179.47 3iuq h LYS 665 N 0.00 0.00 -0.00 0.00 1.57 -1.37 -3.02 116.57 113.75 3iuq h LYS 665 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iuq h LYS 665 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3iuq h LYS 665 CO 0.06 0.53 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.38 3iuq h LEU 666 N 0.00 0.02 -0.96 2.94 3.38 0.41 -1.54 115.31 119.56 3iuq h LEU 666 Ca -0.14 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.34 3iuq h LEU 666 Cb 1.71 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 3iuq h LEU 666 CO 0.08 0.61 0.60 0.40 0.09 0.00 0.00 178.44 180.21 3iuq h ILE 667 N -0.58 0.95 -0.37 1.22 2.04 -1.41 0.53 117.51 119.90 3iuq h ILE 667 Ca -0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3iuq h ILE 667 Cb 0.61 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3iuq h ILE 667 CO 0.00 0.18 0.22 -0.08 0.00 0.00 0.00 178.15 178.47 3iuq h GLU 668 N 0.98 0.50 -0.23 2.37 4.57 -1.46 -0.42 114.58 120.89 3iuq h GLU 668 Ca 0.46 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.41 3iuq h GLU 668 Cb 0.39 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3iuq h GLU 668 CO -0.24 0.38 -0.58 0.37 -1.18 0.00 0.00 179.01 177.75 3iuq h GLN 669 N 0.48 0.75 -0.65 1.92 4.15 -0.09 -1.55 115.11 120.11 3iuq h GLN 669 Ca 0.13 -0.49 -0.05 0.00 0.77 0.00 0.00 58.65 59.01 3iuq h GLN 669 Cb 0.01 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3iuq h GLN 669 CO -0.02 1.12 0.19 1.03 -1.93 0.00 0.00 178.83 179.21 3iuq h SER 670 N 0.56 0.94 -0.45 -0.69 0.87 0.17 -1.45 113.55 113.50 3iuq h SER 670 Ca 0.00 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.25 3iuq h SER 670 Cb 1.17 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3iuq h SER 670 CO 0.12 0.88 -0.27 0.00 -0.53 0.00 0.00 176.83 177.04 3iuq h ALA 671 N 1.24 0.64 -0.76 6.23 0.00 -0.96 -2.49 119.26 123.15 3iuq h ALA 671 Ca 0.21 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3iuq h ALA 671 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3iuq h ALA 671 CO -0.01 0.66 0.29 -0.44 0.00 0.00 0.00 179.25 179.75 3iuq h ASP 672 N 0.81 1.05 -0.05 0.00 5.19 -0.88 -1.06 116.42 121.48 3iuq h ASP 672 Ca 0.09 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 3iuq h ASP 672 Cb 0.85 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 3iuq h ASP 672 CO 0.08 0.94 -0.01 0.40 -3.12 0.00 0.00 179.24 177.53 3iuq h ILE 673 N 1.11 1.28 -0.50 0.35 2.04 -1.20 -1.68 117.51 118.91 3iuq h ILE 673 Ca 0.25 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 3iuq h ILE 673 Cb 0.23 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3iuq h ILE 673 CO -0.02 0.23 -0.01 1.88 0.00 0.00 0.00 178.15 180.23 3iuq h TYR 674 N -0.23 0.90 -0.25 1.37 0.05 -1.40 -0.02 116.97 117.40 3iuq h TYR 674 Ca 0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.62 3iuq h TYR 674 Cb 0.38 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3iuq h TYR 674 CO 0.05 0.83 -0.01 0.00 -1.05 0.00 0.00 178.16 177.98 3iuq h ALA 675 N 1.21 0.33 -0.05 3.88 0.00 -1.20 -1.83 119.26 121.60 3iuq h ALA 675 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iuq h ALA 675 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iuq h ALA 675 CO 0.02 0.08 0.03 0.35 0.00 0.00 0.00 179.25 179.73 3iuq h PHE 676 N 0.21 0.07 0.29 0.00 3.57 -1.15 -1.31 116.94 118.63 3iuq h PHE 676 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3iuq h PHE 676 Cb 0.43 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3iuq h PHE 676 CO 0.04 0.07 -0.37 1.15 -2.23 0.00 0.00 178.31 176.97 3iuq h THR 677 N 0.05 0.24 -0.87 4.41 2.02 -0.88 -0.02 112.91 117.86 3iuq h THR 677 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3iuq h THR 677 Cb 0.02 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 3iuq h THR 677 CO -0.00 0.00 0.49 -0.07 0.37 0.00 0.00 175.52 176.30 3iuq h LEU 678 N -0.71 1.07 -0.39 2.58 3.38 -1.35 -2.06 115.31 117.83 3iuq h LEU 678 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3iuq h LEU 678 Cb 0.66 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3iuq h LEU 678 CO -0.11 0.85 0.17 0.22 0.09 0.00 0.00 178.44 179.66 3iuq h TYR 679 N 1.21 0.59 0.00 1.13 3.20 -0.96 -1.76 116.97 120.39 3iuq h TYR 679 Ca 0.31 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3iuq h TYR 679 Cb 0.01 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3iuq h TYR 679 CO 0.01 0.52 0.00 0.93 -1.64 0.00 0.00 178.16 177.98 3iuq h GLU 680 N 0.49 0.00 -0.02 1.82 4.39 -0.69 -1.72 114.58 118.85 3iuq h GLU 680 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3iuq h GLU 680 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3iuq h GLU 680 CO -0.01 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.51 3iuq n MET 681 N -2.93 1.44 0.00 2.33 2.81 -0.80 -4.90 117.12 115.07 3iuq n MET 681 Ca 0.00 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 3iuq n MET 681 Cb 0.24 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3iuq n MET 681 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iuq n GLY 682 N 1.11 0.58 3.77 3.03 0.00 -0.65 -4.89 105.19 108.14 3iuq n GLY 682 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3iuq n GLY 682 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iuq s TYR 683 N -2.00 3.77 0.00 1.61 2.02 -0.71 -4.92 117.35 117.13 3iuq s TYR 683 Ca 0.00 1.81 0.00 0.00 -0.37 0.00 0.00 57.07 58.51 3iuq s TYR 683 Cb 0.00 -2.93 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 3iuq s TYR 683 CO 0.00 0.28 0.56 0.54 -1.57 0.00 0.00 175.55 175.36 3iuq n ARG 684 N 0.82 0.71 -3.67 -0.62 3.00 -1.26 -4.26 116.66 111.38 3iuq n ARG 684 Ca 0.01 -0.69 -0.11 0.00 -0.01 0.00 0.00 57.85 57.05 3iuq n ARG 684 Cb 0.49 -0.66 -0.08 0.00 0.00 0.00 0.00 32.46 32.21 3iuq n ARG 684 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3iuq s GLU 685 N -0.26 0.64 0.17 5.56 -1.05 -1.26 -4.86 118.70 117.65 3iuq s GLU 685 Ca 0.00 0.94 -0.32 0.00 -0.15 0.00 0.00 54.97 55.44 3iuq s GLU 685 Cb 0.00 0.21 -0.16 0.00 -0.44 0.00 0.00 34.13 33.74 3iuq s GLU 685 CO 0.00 -0.12 0.95 1.28 0.95 0.00 0.00 175.26 178.32 3iuq n LEU 686 N 3.48 0.55 -0.25 1.83 4.77 -1.26 -4.79 117.00 121.34 3iuq n LEU 686 Ca -0.17 1.15 0.24 0.00 -0.03 0.00 0.00 56.01 57.20 3iuq n LEU 686 Cb 0.57 -1.10 0.60 0.00 -2.33 0.00 0.00 43.42 41.15 3iuq n LEU 686 CO 0.05 -1.88 1.24 -0.65 -1.33 0.00 0.00 177.39 174.82 3iuq h PRO 687 N 2.45 0.24 0.00 3.23 0.11 -1.99 -3.52 132.00 132.52 3iuq h PRO 687 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3iuq h PRO 687 Cb 1.38 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3iuq h PRO 687 CO 0.64 0.16 0.00 2.89 -0.21 0.00 0.00 178.00 181.48