#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iul n HIS 8 N 0.00 3.43 -1.97 -1.77 -0.00 -1.26 -5.08 115.22 108.57 3iul n HIS 8 Ca 0.00 -3.87 -0.36 0.00 -0.00 0.00 0.00 57.72 53.49 3iul n HIS 8 Cb 0.00 -0.79 0.04 0.00 -0.00 0.00 0.00 29.99 29.24 3iul n HIS 8 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3iul s TYR 9 N -2.27 2.35 0.73 -1.40 2.02 -1.26 -4.96 117.35 112.55 3iul s TYR 9 Ca 0.35 1.50 -0.14 0.00 -0.37 0.00 0.00 57.07 58.41 3iul s TYR 9 Cb 0.07 -3.53 0.04 0.00 -0.40 0.00 0.00 41.96 38.14 3iul s TYR 9 CO -0.02 -2.34 1.14 -2.14 -1.57 0.00 0.00 175.55 170.61 3iul s PRO 10 N -3.30 2.32 0.29 -1.71 0.02 -1.26 -4.94 135.00 126.41 3iul s PRO 10 Ca 0.78 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 3iul s PRO 10 Cb -0.32 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 3iul s PRO 10 CO 0.35 -1.63 1.26 0.08 -0.33 0.00 0.00 177.00 176.72 3iul s VAL 11 N -2.39 3.01 -0.24 3.83 1.01 -1.26 -5.00 120.40 119.36 3iul s VAL 11 Ca 0.68 0.96 0.02 0.00 0.00 0.00 0.00 61.98 63.64 3iul s VAL 11 Cb -0.22 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.60 3iul s VAL 11 CO 0.47 0.21 -0.11 -0.89 0.00 0.00 0.00 175.10 174.78 3iul s THR 12 N -0.83 2.00 0.38 3.92 2.01 -1.26 -5.05 115.64 116.81 3iul s THR 12 Ca 0.50 -1.42 -0.28 0.00 0.31 0.00 0.00 61.69 60.80 3iul s THR 12 Cb -0.37 -2.09 -0.11 0.00 0.01 0.00 0.00 72.50 69.94 3iul s THR 12 CO 0.47 0.05 1.50 -1.14 -0.69 0.00 0.00 174.62 174.81 3iul n ARG 13 N 4.52 2.68 -4.15 4.92 0.63 -1.26 -5.00 116.66 119.00 3iul n ARG 13 Ca -0.15 0.94 -0.35 0.00 -0.92 0.00 0.00 57.85 57.38 3iul n ARG 13 Cb 0.44 -2.69 -0.13 0.00 0.45 0.00 0.00 32.46 30.53 3iul n ARG 13 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3iul s GLN 14 N -2.14 3.54 0.44 -0.14 -0.21 -1.26 -4.70 119.66 115.20 3iul s GLN 14 Ca 0.53 -0.56 0.05 0.00 0.02 0.00 0.00 55.36 55.40 3iul s GLN 14 Cb -0.47 -2.99 0.08 0.00 1.00 0.00 0.00 33.01 30.63 3iul s GLN 14 CO 0.64 0.01 0.61 0.41 -2.12 0.00 0.00 175.29 174.84 3iul n GLY 15 N 4.21 1.64 1.07 3.09 0.00 0.42 -5.04 105.19 110.59 3iul n GLY 15 Ca -0.18 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 43.77 3iul n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iul n GLU 16 N -2.01 3.30 -1.74 1.61 1.02 -1.26 -4.37 120.64 117.19 3iul n GLU 16 Ca 0.12 -2.78 -0.42 0.00 -0.02 0.00 0.00 57.16 54.06 3iul n GLU 16 Cb 0.43 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 3iul n GLU 16 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3iul n GLN 17 N -0.03 2.74 -4.00 3.49 -0.06 -1.26 -4.93 117.38 113.33 3iul n GLN 17 Ca 0.21 0.98 -0.22 0.00 -2.00 0.00 0.00 57.00 55.97 3iul n GLN 17 Cb 0.87 -2.78 -0.17 0.00 -4.06 0.00 0.00 30.24 24.10 3iul n GLN 17 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3iul s VAL 18 N 0.22 0.58 0.15 1.69 1.01 -1.26 -1.12 120.40 121.67 3iul s VAL 18 Ca 0.66 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.60 3iul s VAL 18 Cb -0.49 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3iul s VAL 18 CO 0.45 0.27 0.25 -1.81 0.00 0.00 0.00 175.10 174.26 3iul s ASP 19 N 1.41 6.13 -0.07 3.32 1.01 0.86 -4.88 116.67 124.45 3iul s ASP 19 Ca -0.03 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.36 3iul s ASP 19 Cb -0.13 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.01 3iul s ASP 19 CO -0.03 0.06 -0.16 -1.00 0.21 0.00 0.00 175.17 174.25 3iul s HIS 20 N -1.74 1.72 -0.10 4.23 3.76 -1.26 0.75 115.29 122.65 3iul s HIS 20 Ca 0.34 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.62 3iul s HIS 20 Cb -0.11 -1.21 0.03 0.00 1.11 0.00 0.00 32.58 32.41 3iul s HIS 20 CO 0.27 -0.27 -0.02 0.71 -0.85 0.00 0.00 174.74 174.58 3iul s TYR 21 N 0.43 1.01 -1.55 1.40 2.02 0.23 -4.83 117.35 116.06 3iul s TYR 21 Ca -0.12 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 3iul s TYR 21 Cb -0.15 -0.98 0.05 0.00 -0.40 0.00 0.00 41.96 40.48 3iul s TYR 21 CO 0.04 -0.43 0.41 1.19 -1.57 0.00 0.00 175.55 175.19 3iul n PHE 22 N 5.06 -1.53 0.00 2.71 3.72 -1.26 -0.01 117.46 126.15 3iul n PHE 22 Ca -0.09 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 3iul n PHE 22 Cb 0.50 -3.19 0.00 0.00 -0.94 0.00 0.00 39.48 35.85 3iul n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iul n GLY 23 N -1.94 2.83 3.70 1.37 0.00 -1.26 -5.01 105.19 104.88 3iul n GLY 23 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3iul n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iul s GLN 24 N -0.07 4.25 0.06 1.61 0.74 0.99 -5.06 119.66 122.18 3iul s GLN 24 Ca 0.00 0.33 -0.19 0.00 0.05 0.00 0.00 55.36 55.55 3iul s GLN 24 Cb 0.00 -3.49 -0.06 0.00 1.10 0.00 0.00 33.01 30.56 3iul s GLN 24 CO 0.00 0.05 0.55 0.00 -0.55 0.00 0.00 175.29 175.34 3iul s ALA 25 N 1.01 3.59 -0.09 1.58 0.00 -1.26 -0.60 121.76 125.99 3iul s ALA 25 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 3iul s ALA 25 Cb -0.15 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.38 3iul s ALA 25 CO 0.09 0.38 -0.00 0.08 0.00 0.00 0.00 175.76 176.31 3iul s VAL 26 N -1.01 0.47 0.30 0.00 1.01 0.23 -4.95 120.40 116.44 3iul s VAL 26 Ca 0.29 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3iul s VAL 26 Cb -0.19 -0.65 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 3iul s VAL 26 CO 0.18 0.22 1.16 0.00 0.00 0.00 0.00 175.10 176.66 3iul s ALA 27 N 1.93 3.43 -0.51 5.51 0.00 -1.26 -0.10 121.76 130.76 3iul s ALA 27 Ca 0.04 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.06 3iul s ALA 27 Cb -0.13 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.84 3iul s ALA 27 CO -0.06 -0.30 0.53 -3.47 0.00 0.00 0.00 175.76 172.46 3iul n ASP 28 N 1.05 1.32 0.32 0.00 2.03 -0.27 -4.90 116.55 116.09 3iul n ASP 28 Ca -0.01 -2.87 0.19 0.00 0.52 0.00 0.00 54.79 52.62 3iul n ASP 28 Cb 0.44 -0.64 1.06 0.00 -0.72 0.00 0.00 41.12 41.26 3iul n ASP 28 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iul h PRO 29 N 4.67 0.00 -0.58 -0.67 0.13 -1.76 -2.47 132.00 131.32 3iul h PRO 29 Ca 0.16 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.03 3iul h PRO 29 Cb 0.81 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.79 3iul h PRO 29 CO 0.57 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 179.19 3iul n TYR 30 N -3.48 1.83 -0.29 1.56 4.01 -1.26 -0.44 117.16 119.10 3iul n TYR 30 Ca -0.03 -1.53 0.11 0.00 -0.16 0.00 0.00 57.90 56.29 3iul n TYR 30 Cb 0.08 -0.63 0.35 0.00 -0.31 0.00 0.00 39.34 38.84 3iul n TYR 30 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3iul h ARG 31 N 1.34 0.73 0.00 -0.72 9.65 -1.82 -0.72 114.38 122.83 3iul h ARG 31 Ca 0.32 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 3iul h ARG 31 Cb 2.08 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 30.49 3iul h ARG 31 CO 0.63 0.48 -0.06 0.11 2.80 0.00 0.00 179.97 183.93 3iul h TRP 32 N 0.75 0.00 0.00 2.20 5.08 -1.86 -1.00 115.95 121.12 3iul h TRP 32 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 3iul h TRP 32 Cb 0.69 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 3iul h TRP 32 CO -0.00 0.06 0.00 1.28 -1.28 0.00 0.00 178.44 178.49 3iul n LEU 33 N -3.81 0.00 0.24 0.11 4.77 -0.28 -2.49 117.00 115.54 3iul n LEU 33 Ca -0.03 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.48 3iul n LEU 33 Cb 0.15 -0.41 0.58 0.00 -2.33 0.00 0.00 43.42 41.41 3iul n LEU 33 CO 0.29 -0.17 0.88 -0.33 -1.33 0.00 0.00 177.39 176.72 3iul h GLU 34 N 0.00 0.00 -4.94 3.23 5.08 -1.30 -3.37 114.58 113.28 3iul h GLU 34 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 3iul h GLU 34 Cb 0.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.30 3iul h GLU 34 CO 0.00 0.18 0.53 0.34 -1.00 0.00 0.00 179.01 179.07 3iul s ASP 35 N -6.15 6.43 0.00 1.42 2.15 -1.04 -4.66 116.67 114.82 3iul s ASP 35 Ca -0.01 -1.71 0.18 0.00 0.43 0.00 0.00 52.55 51.44 3iul s ASP 35 Cb 0.11 -2.36 1.00 0.00 -0.30 0.00 0.00 42.92 41.37 3iul s ASP 35 CO 0.61 -1.12 1.53 -0.90 -0.17 0.00 0.00 175.17 175.12 3iul n ASP 36 N 6.55 0.00 -0.50 -0.34 5.75 -1.26 -2.72 116.55 124.03 3iul n ASP 36 Ca 0.09 -0.23 0.06 0.00 -0.01 0.00 0.00 54.79 54.69 3iul n ASP 36 Cb 0.46 -0.16 0.07 0.00 -1.03 0.00 0.00 41.12 40.46 3iul n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iul n ARG 37 N -1.16 1.04 -2.34 0.11 1.74 -1.26 -4.58 116.66 110.21 3iul n ARG 37 Ca 0.11 -1.36 -0.33 0.00 -0.77 0.00 0.00 57.85 55.49 3iul n ARG 37 Cb 0.11 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3iul n ARG 37 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3iul s SER 38 N -0.97 6.12 0.32 0.55 1.04 -1.10 -4.88 113.70 114.77 3iul s SER 38 Ca 0.16 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.47 3iul s SER 38 Cb 0.10 -2.55 0.53 0.00 0.10 0.00 0.00 66.02 64.21 3iul s SER 38 CO 0.15 -0.93 1.97 -0.65 0.98 0.00 0.00 173.24 174.75 3iul h PRO 39 N 1.10 0.98 -0.49 4.02 0.11 -1.94 -1.31 132.00 134.46 3iul h PRO 39 Ca -0.48 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3iul h PRO 39 Cb 1.22 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3iul h PRO 39 CO 0.58 0.65 0.14 1.49 -0.21 0.00 0.00 178.00 180.65 3iul h GLU 40 N 1.01 0.77 -0.45 1.05 4.81 -1.94 -1.36 114.58 118.46 3iul h GLU 40 Ca 0.30 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3iul h GLU 40 Cb -0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3iul h GLU 40 CO -0.08 0.74 -0.10 1.15 -0.73 0.00 0.00 179.01 179.99 3iul h THR 41 N 0.66 1.27 -0.36 0.32 2.02 -1.73 -1.67 112.91 113.43 3iul h THR 41 Ca 0.16 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 3iul h THR 41 Cb 0.30 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3iul h THR 41 CO -0.00 0.41 0.03 -0.33 0.37 0.00 0.00 175.52 176.00 3iul h GLU 42 N 0.70 0.55 -0.36 6.66 5.08 -1.10 0.67 114.58 126.78 3iul h GLU 42 Ca 0.12 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3iul h GLU 42 Cb 0.63 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3iul h GLU 42 CO 0.04 0.55 -0.19 0.00 -1.00 0.00 0.00 179.01 178.41 3iul h ALA 43 N 1.51 0.50 -0.60 3.43 0.00 -1.06 -2.23 119.26 120.81 3iul h ALA 43 Ca 0.12 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3iul h ALA 43 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iul h ALA 43 CO 0.01 0.45 0.39 2.35 0.00 0.00 0.00 179.25 182.44 3iul h TRP 44 N 0.54 0.74 -0.59 0.00 7.01 -0.57 -0.93 115.95 122.15 3iul h TRP 44 Ca 0.08 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.15 3iul h TRP 44 Cb 0.74 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 3iul h TRP 44 CO 0.06 0.46 0.31 0.28 -2.79 0.00 0.00 178.44 176.76 3iul h VAL 45 N 0.80 0.96 -0.54 2.65 2.07 -0.77 0.12 116.25 121.53 3iul h VAL 45 Ca 0.23 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3iul h VAL 45 Cb -0.07 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3iul h VAL 45 CO -0.06 0.11 0.17 0.50 0.02 0.00 0.00 177.57 178.30 3iul h LYS 46 N 0.59 0.85 -0.44 1.57 3.64 -0.94 -1.43 116.57 120.41 3iul h LYS 46 Ca 0.26 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3iul h LYS 46 Cb 0.16 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3iul h LYS 46 CO -0.17 0.78 0.12 0.00 -2.27 0.00 0.00 179.45 177.90 3iul h ALA 47 N 1.03 0.57 -0.51 5.00 0.00 -0.56 -1.96 119.26 122.83 3iul h ALA 47 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3iul h ALA 47 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3iul h ALA 47 CO -0.00 0.24 0.24 1.96 0.00 0.00 0.00 179.25 181.69 3iul h GLN 48 N 0.57 0.74 -0.40 0.00 1.08 -0.61 -2.37 115.11 114.12 3iul h GLN 48 Ca 0.14 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3iul h GLN 48 Cb 0.30 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3iul h GLN 48 CO -0.00 0.62 0.06 -0.91 -0.95 0.00 0.00 178.83 177.65 3iul h ASN 49 N 0.69 0.56 -0.51 1.46 -0.26 -1.17 -0.49 115.58 115.85 3iul h ASN 49 Ca 0.18 -0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3iul h ASN 49 Cb 0.13 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 3iul h ASN 49 CO -0.02 0.59 0.17 0.00 -1.06 0.00 0.00 177.43 177.12 3iul h ALA 50 N 1.48 0.67 -0.43 -0.83 0.00 -1.02 0.27 119.26 119.40 3iul h ALA 50 Ca 0.13 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3iul h ALA 50 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iul h ALA 50 CO 0.00 0.31 -0.21 0.28 0.00 0.00 0.00 179.25 179.63 3iul h VAL 51 N 0.69 1.28 -0.40 0.00 2.07 -1.03 -1.74 116.25 117.11 3iul h VAL 51 Ca 0.17 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3iul h VAL 51 Cb 0.25 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3iul h VAL 51 CO -0.01 0.46 0.13 0.74 0.02 0.00 0.00 177.57 178.92 3iul h THR 52 N 0.72 1.21 -0.52 2.57 2.02 -0.87 -2.20 112.91 115.85 3iul h THR 52 Ca 0.09 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 3iul h THR 52 Cb 0.78 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3iul h THR 52 CO 0.06 0.24 0.05 1.56 0.37 0.00 0.00 175.52 177.80 3iul h GLN 53 N 0.50 0.84 -0.60 6.66 1.08 -0.91 -1.16 115.11 121.52 3iul h GLN 53 Ca 0.13 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 3iul h GLN 53 Cb 0.24 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 3iul h GLN 53 CO -0.01 0.81 0.09 0.22 -0.95 0.00 0.00 178.83 179.00 3iul h ASP 54 N 0.79 0.94 -0.33 1.46 3.58 -1.17 0.39 116.42 122.08 3iul h ASP 54 Ca 0.16 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 3iul h ASP 54 Cb 0.41 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 3iul h ASP 54 CO 0.01 0.95 0.04 0.22 -2.88 0.00 0.00 179.24 177.58 3iul h TYR 55 N 0.92 0.59 -0.15 0.28 3.20 -1.02 -2.92 116.97 117.89 3iul h TYR 55 Ca 0.19 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3iul h TYR 55 Cb 0.42 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3iul h TYR 55 CO 0.03 0.64 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.83 3iul h LEU 56 N 0.38 0.27 -1.78 2.82 3.38 -0.97 -2.62 115.31 116.79 3iul h LEU 56 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iul h LEU 56 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3iul h LEU 56 CO 0.01 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.10 3iul h ALA 57 N 1.46 1.00 -0.00 1.53 0.00 -0.72 -1.81 119.26 120.72 3iul h ALA 57 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iul h ALA 57 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3iul h ALA 57 CO 0.05 0.00 -0.19 1.04 0.00 0.00 0.00 179.25 180.15 3iul n GLN 58 N -2.59 0.22 -2.64 0.00 1.13 -0.99 -4.83 117.38 107.67 3iul n GLN 58 Ca -0.01 -0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.55 3iul n GLN 58 Cb 0.11 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.94 3iul n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3iul s ILE 59 N -2.83 4.44 0.24 5.09 1.01 -0.68 -4.94 121.20 123.52 3iul s ILE 59 Ca 0.18 1.56 -0.05 0.00 0.00 0.00 0.00 60.65 62.33 3iul s ILE 59 Cb 0.19 -4.46 0.21 0.00 0.01 0.00 0.00 42.46 38.41 3iul s ILE 59 CO 0.57 -0.62 1.72 -0.65 0.00 0.00 0.00 174.94 175.95 3iul h PRO 60 N 8.42 0.38 -0.66 2.79 0.11 -1.88 -2.87 132.00 138.28 3iul h PRO 60 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3iul h PRO 60 Cb 1.06 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3iul h PRO 60 CO 1.05 0.25 0.00 2.48 -0.21 0.00 0.00 178.00 181.57 3iul n TYR 61 N -5.04 1.23 -0.13 0.65 0.18 -1.26 -4.48 117.16 108.30 3iul n TYR 61 Ca 0.13 -0.52 -0.09 0.00 1.88 0.00 0.00 57.90 59.31 3iul n TYR 61 Cb 0.41 -0.16 -0.01 0.00 -0.38 0.00 0.00 39.34 39.20 3iul n TYR 61 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3iul h ARG 62 N 3.83 0.58 -0.74 -3.48 2.43 -1.86 -1.76 114.38 113.37 3iul h ARG 62 Ca 0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3iul h ARG 62 Cb 1.21 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3iul h ARG 62 CO 0.15 0.52 0.40 0.00 -1.51 0.00 0.00 179.97 179.53 3iul h ALA 63 N 1.02 1.30 -0.50 2.80 0.00 -1.81 -1.30 119.26 120.77 3iul h ALA 63 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3iul h ALA 63 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3iul h ALA 63 CO -0.01 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.87 3iul h ALA 64 N 1.40 0.67 -0.48 0.00 0.00 -1.78 -1.02 119.26 118.06 3iul h ALA 64 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3iul h ALA 64 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3iul h ALA 64 CO -0.04 0.42 0.19 0.82 0.00 0.00 0.00 179.25 180.64 3iul h ILE 65 N 0.72 1.21 -0.63 0.00 2.04 -0.90 -2.10 117.51 117.84 3iul h ILE 65 Ca 0.15 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3iul h ILE 65 Cb 0.42 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3iul h ILE 65 CO 0.01 0.24 0.16 0.50 0.00 0.00 0.00 178.15 179.07 3iul h LYS 66 N 0.63 0.99 -0.43 2.37 3.64 -1.11 -1.84 116.57 120.83 3iul h LYS 66 Ca 0.16 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3iul h LYS 66 Cb 0.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3iul h LYS 66 CO -0.01 0.87 0.25 1.49 -2.27 0.00 0.00 179.45 179.78 3iul h GLU 67 N 0.95 0.59 -0.48 1.90 4.81 -0.89 0.89 114.58 122.34 3iul h GLU 67 Ca 0.20 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3iul h GLU 67 Cb 0.32 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3iul h GLU 67 CO -0.00 0.46 0.09 -0.22 -0.73 0.00 0.00 179.01 178.60 3iul h LYS 68 N 0.56 0.79 -0.43 1.92 3.64 -1.14 -1.97 116.57 119.95 3iul h LYS 68 Ca 0.15 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3iul h LYS 68 Cb 0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3iul h LYS 68 CO -0.03 0.79 0.23 -0.07 -2.27 0.00 0.00 179.45 178.10 3iul h LEU 69 N 0.67 0.54 -0.67 5.20 3.38 -1.10 -2.47 115.31 120.85 3iul h LEU 69 Ca 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iul h LEU 69 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3iul h LEU 69 CO 0.01 0.48 0.40 0.00 0.09 0.00 0.00 178.44 179.41 3iul h ALA 70 N 1.08 0.86 0.00 1.53 0.00 -0.65 -1.08 119.26 121.00 3iul h ALA 70 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iul h ALA 70 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3iul h ALA 70 CO -0.02 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3iul h ALA 71 N 1.20 1.00 -0.01 0.00 0.00 -1.23 -3.21 119.26 117.01 3iul h ALA 71 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3iul h ALA 71 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iul h ALA 71 CO -0.04 0.00 -0.05 -1.13 0.00 0.00 0.00 179.25 178.03 3iul n SER 72 N -3.06 1.91 -0.09 0.00 3.41 -0.94 -4.71 113.62 110.14 3iul n SER 72 Ca 0.02 -1.46 -0.12 0.00 -0.26 0.00 0.00 58.87 57.05 3iul n SER 72 Cb 0.36 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3iul n SER 72 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3iul h TRP 73 N 2.25 0.58 -3.18 7.33 2.91 -1.20 -3.44 115.95 121.20 3iul h TRP 73 Ca 0.00 -0.14 -0.65 0.00 1.13 0.00 0.00 58.89 59.24 3iul h TRP 73 Cb 0.50 -0.14 -0.14 0.00 -0.51 0.00 0.00 29.16 28.87 3iul h TRP 73 CO 0.00 0.75 -0.57 -0.80 -1.03 0.00 0.00 178.44 176.79 3iul s ASN 74 N -6.16 5.59 0.02 2.65 0.01 -1.26 -4.99 114.94 110.81 3iul s ASN 74 Ca -0.13 0.16 -0.23 0.00 -0.71 0.00 0.00 52.86 51.95 3iul s ASN 74 Cb 0.07 -1.81 0.05 0.00 0.41 0.00 0.00 41.25 39.97 3iul s ASN 74 CO 0.77 0.28 0.52 -0.72 -1.51 0.00 0.00 177.10 176.44 3iul s TYR 75 N -0.30 -0.43 0.55 2.20 -0.85 -1.26 -4.99 117.35 112.26 3iul s TYR 75 Ca 0.08 0.55 -0.21 0.00 -0.52 0.00 0.00 57.07 56.97 3iul s TYR 75 Cb -0.12 0.32 -0.05 0.00 0.38 0.00 0.00 41.96 42.49 3iul s TYR 75 CO 0.02 -0.61 1.24 0.00 -1.52 0.00 0.00 175.55 174.69 3iul s ALA 76 N -2.11 2.73 0.07 9.51 0.00 -1.25 -3.86 121.76 126.86 3iul s ALA 76 Ca -0.07 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.01 3iul s ALA 76 Cb -0.01 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3iul s ALA 76 CO 0.01 -1.10 -0.09 0.15 0.00 0.00 0.00 175.76 174.73 3iul s LYS 77 N -3.04 0.72 -0.05 0.00 1.02 -0.02 -4.20 119.74 114.17 3iul s LYS 77 Ca 0.72 -1.02 -0.05 0.00 0.02 0.00 0.00 55.97 55.64 3iul s LYS 77 Cb -0.33 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 3iul s LYS 77 CO 0.38 0.06 0.13 -2.00 -0.92 0.00 0.00 175.35 173.00 3iul s GLU 78 N -2.45 0.18 0.47 1.68 2.12 -1.26 -1.90 118.70 117.54 3iul s GLU 78 Ca 0.00 0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.55 3iul s GLU 78 Cb -0.05 0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.46 3iul s GLU 78 CO -0.01 -0.03 0.62 0.20 -0.54 0.00 0.00 175.26 175.51 3iul s GLY 79 N -0.06 1.90 0.53 -1.50 0.00 -0.32 -4.95 107.32 102.91 3iul s GLY 79 Ca -0.01 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.69 3iul s GLY 79 CO 0.00 -1.56 1.19 0.00 0.00 0.00 0.00 173.10 172.73 3iul s ALA 80 N -2.45 2.75 0.30 3.20 0.00 -1.26 -4.58 121.76 119.72 3iul s ALA 80 Ca 0.56 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.29 3iul s ALA 80 Cb -0.08 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3iul s ALA 80 CO 0.34 -0.91 0.82 -1.25 0.00 0.00 0.00 175.76 174.77 3iul s PRO 81 N -3.07 4.30 0.00 0.00 0.04 -1.26 -4.59 135.00 130.42 3iul s PRO 81 Ca 0.71 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.77 3iul s PRO 81 Cb -0.29 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 3iul s PRO 81 CO 0.33 0.25 -0.05 -0.59 0.04 0.00 0.00 177.00 176.99 3iul s PHE 82 N -1.73 0.43 -0.01 0.56 -0.71 0.61 -4.92 117.98 112.20 3iul s PHE 82 Ca 0.50 -0.11 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 3iul s PHE 82 Cb -0.15 -0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.34 3iul s PHE 82 CO 0.20 -0.01 0.68 0.50 -1.34 0.00 0.00 175.22 175.24 3iul s ARG 83 N -0.23 4.41 -0.16 1.99 6.06 -1.26 0.29 118.95 130.05 3iul s ARG 83 Ca 0.01 0.87 -0.04 0.00 -2.50 0.00 0.00 55.73 54.07 3iul s ARG 83 Cb -0.02 -3.39 0.07 0.00 0.06 0.00 0.00 34.95 31.67 3iul s ARG 83 CO -0.00 0.24 0.18 -1.21 -2.50 0.00 0.00 175.30 172.00 3iul s GLU 84 N 0.20 0.11 7.50 5.12 0.41 -0.61 -4.97 118.70 126.45 3iul s GLU 84 Ca 0.35 0.27 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 3iul s GLU 84 Cb -0.19 -1.03 0.00 0.00 -1.78 0.00 0.00 34.13 31.14 3iul s GLU 84 CO 0.19 -0.54 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 3iul n GLY 85 N 5.31 2.79 1.61 -1.39 0.00 -1.24 -2.41 105.19 109.86 3iul n GLY 85 Ca -0.05 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.80 3iul n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iul n ARG 86 N 13.31 4.30 -4.30 1.61 1.85 -1.26 -4.97 116.66 127.20 3iul n ARG 86 Ca 0.00 -3.05 -0.16 0.00 -1.00 0.00 0.00 57.85 53.64 3iul n ARG 86 Cb 0.00 -2.12 -0.10 0.00 -1.05 0.00 0.00 32.46 29.19 3iul n ARG 86 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3iul s TYR 87 N -2.67 1.47 -0.10 2.89 2.02 -1.01 -4.41 117.35 115.54 3iul s TYR 87 Ca 0.51 -0.80 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3iul s TYR 87 Cb 0.39 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 3iul s TYR 87 CO 0.15 0.07 -0.17 -1.01 -1.57 0.00 0.00 175.55 173.03 3iul s HIS 88 N -3.31 2.70 0.18 2.71 3.76 -0.96 -1.58 115.29 118.80 3iul s HIS 88 Ca 0.23 -0.63 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 3iul s HIS 88 Cb 0.04 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 3iul s HIS 88 CO 0.05 -0.17 -0.07 0.71 -0.85 0.00 0.00 174.74 174.41 3iul s TYR 89 N 0.08 2.69 -0.19 1.40 2.02 0.15 -1.56 117.35 121.93 3iul s TYR 89 Ca -0.07 -0.20 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 3iul s TYR 89 Cb -0.15 -1.31 0.10 0.00 -0.40 0.00 0.00 41.96 40.20 3iul s TYR 89 CO 0.05 0.52 0.86 -0.59 -1.57 0.00 0.00 175.55 174.82 3iul s PHE 90 N -1.73 -0.57 0.24 2.71 -0.12 -0.86 -0.28 117.98 117.36 3iul s PHE 90 Ca 0.26 1.22 -0.15 0.00 -0.05 0.00 0.00 56.93 58.21 3iul s PHE 90 Cb -0.09 0.37 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 3iul s PHE 90 CO 0.16 -0.38 0.65 -0.06 -0.05 0.00 0.00 175.22 175.54 3iul s PHE 91 N -0.38 3.49 0.01 3.49 0.08 -1.26 -0.27 117.98 123.13 3iul s PHE 91 Ca -0.02 1.14 -0.11 0.00 0.12 0.00 0.00 56.93 58.06 3iul s PHE 91 Cb -0.03 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 39.98 3iul s PHE 91 CO 0.01 0.25 0.21 0.15 -0.10 0.00 0.00 175.22 175.75 3iul s LYS 92 N -2.53 0.60 -0.04 0.44 1.02 0.62 -1.18 119.74 118.68 3iul s LYS 92 Ca 0.47 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 3iul s LYS 92 Cb -0.13 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.47 3iul s LYS 92 CO 0.19 -0.16 0.06 1.21 -0.92 0.00 0.00 175.35 175.74 3iul s ASN 93 N -1.55 0.61 0.00 2.83 3.84 -0.80 0.20 114.94 120.07 3iul s ASN 93 Ca -0.12 0.11 0.21 0.00 0.21 0.00 0.00 52.86 53.26 3iul s ASN 93 Cb -0.05 -0.05 1.21 0.00 -0.55 0.00 0.00 41.25 41.81 3iul s ASN 93 CO 0.01 -0.20 1.61 -0.90 -2.79 0.00 0.00 177.10 174.84 3iul n ASP 94 N 4.80 0.00 0.00 -4.21 5.68 -1.26 -0.84 116.55 120.72 3iul n ASP 94 Ca -0.14 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 3iul n ASP 94 Cb 0.50 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3iul n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iul n GLY 95 N 0.30 3.20 0.05 6.12 0.00 -1.25 -3.92 105.19 109.68 3iul n GLY 95 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3iul n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iul n LEU 96 N 0.00 1.04 -4.70 0.99 4.77 -1.26 -4.38 117.00 113.45 3iul n LEU 96 Ca 0.00 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 3iul n LEU 96 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3iul n LEU 96 CO 0.00 0.38 0.92 0.00 -1.33 0.00 0.00 177.39 177.36 3iul n GLN 97 N -2.49 2.16 0.08 3.23 6.02 -1.26 -4.92 117.38 120.21 3iul n GLN 97 Ca -0.16 0.76 -0.05 0.00 -0.01 0.00 0.00 57.00 57.54 3iul n GLN 97 Cb 0.75 -2.35 -0.04 0.00 1.02 0.00 0.00 30.24 29.62 3iul n GLN 97 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3iul h ASN 98 N 2.67 0.00 -4.45 1.08 -0.73 -1.98 -3.45 115.58 108.71 3iul h ASN 98 Ca -0.46 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.07 3iul h ASN 98 Cb 1.28 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 39.58 3iul h ASN 98 CO 0.63 0.88 -0.87 -1.10 -0.37 0.00 0.00 177.43 176.60 3iul s GLN 99 N -2.94 1.78 0.54 6.67 -0.21 -1.26 -5.11 119.66 119.13 3iul s GLN 99 Ca 0.01 -0.85 -0.21 0.00 0.02 0.00 0.00 55.36 54.32 3iul s GLN 99 Cb 0.10 -1.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.30 3iul s GLN 99 CO 0.80 0.48 1.24 -0.80 -2.12 0.00 0.00 175.29 174.88 3iul s ASN 100 N -0.67 5.53 -0.11 5.90 0.01 -1.26 -4.75 114.94 119.58 3iul s ASN 100 Ca 0.09 2.47 -0.03 0.00 -0.71 0.00 0.00 52.86 54.67 3iul s ASN 100 Cb -0.09 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 3iul s ASN 100 CO -0.00 -1.37 0.03 -0.69 -1.51 0.00 0.00 177.10 173.55 3iul s VAL 101 N -1.50 4.50 -0.24 1.60 1.01 0.13 -4.51 120.40 121.40 3iul s VAL 101 Ca 0.71 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 3iul s VAL 101 Cb -0.33 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3iul s VAL 101 CO 0.38 0.58 0.62 -0.22 0.00 0.00 0.00 175.10 176.45 3iul s LEU 102 N -0.61 4.08 0.33 3.92 2.96 -0.16 -0.27 118.68 128.93 3iul s LEU 102 Ca 0.10 0.72 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3iul s LEU 102 Cb -0.12 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 3iul s LEU 102 CO 0.02 -0.34 0.26 0.26 -1.32 0.00 0.00 176.35 175.24 3iul s TRP 103 N 2.34 2.90 0.01 5.38 0.52 0.62 -0.14 118.94 130.56 3iul s TRP 103 Ca 0.26 -0.29 -0.02 0.00 0.02 0.00 0.00 56.10 56.07 3iul s TRP 103 Cb -0.16 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 3iul s TRP 103 CO 0.09 0.24 0.02 0.50 0.02 0.00 0.00 176.95 177.81 3iul s ARG 104 N -3.96 0.25 -0.17 4.98 3.52 0.80 -2.03 118.95 122.35 3iul s ARG 104 Ca 0.40 -0.37 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 3iul s ARG 104 Cb -0.06 0.10 0.07 0.00 -1.56 0.00 0.00 34.95 33.50 3iul s ARG 104 CO 0.26 -0.05 0.37 -1.14 -0.81 0.00 0.00 175.30 173.93 3iul s GLN 105 N -0.98 0.30 0.53 5.12 0.74 -0.60 0.44 119.66 125.21 3iul s GLN 105 Ca -0.11 0.85 0.08 0.00 0.05 0.00 0.00 55.36 56.23 3iul s GLN 105 Cb -0.07 0.10 0.08 0.00 1.10 0.00 0.00 33.01 34.22 3iul s GLN 105 CO -0.00 -0.22 0.63 0.00 -0.55 0.00 0.00 175.29 175.15 3iul n GLN 106 N 4.91 0.66 0.00 1.67 10.64 -1.26 -2.26 117.38 131.74 3iul n GLN 106 Ca -0.15 -3.02 0.00 0.00 -1.83 0.00 0.00 57.00 52.00 3iul n GLN 106 Cb 0.52 -0.04 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 3iul n GLN 106 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3iul n GLU 107 N -2.02 0.00 -2.67 2.61 4.71 -1.26 -2.84 120.64 119.16 3iul n GLU 107 Ca 0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.18 3iul n GLU 107 Cb 0.57 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 31.04 3iul n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3iul n GLY 108 N -0.28 2.48 3.58 0.62 0.00 -1.26 -5.09 105.19 105.24 3iul n GLY 108 Ca 0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 3iul n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iul s LYS 109 N -3.57 1.89 0.44 1.61 1.02 -1.13 -5.13 119.74 114.87 3iul s LYS 109 Ca 0.31 -2.06 -0.21 0.00 0.02 0.00 0.00 55.97 54.03 3iul s LYS 109 Cb 0.38 -1.52 -0.10 0.00 -0.52 0.00 0.00 37.83 36.06 3iul s LYS 109 CO -0.02 -0.05 0.97 -1.25 -0.92 0.00 0.00 175.35 174.08 3iul s PRO 110 N -3.73 4.15 0.62 -1.68 0.04 -1.26 -4.55 135.00 128.59 3iul s PRO 110 Ca 0.35 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 3iul s PRO 110 Cb 0.09 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3iul s PRO 110 CO 0.17 -0.11 1.03 0.00 0.04 0.00 0.00 177.00 178.13 3iul n ALA 111 N -0.65 0.34 -2.45 8.56 0.00 -1.26 -4.78 120.51 120.27 3iul n ALA 111 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 3iul n ALA 111 Cb 0.53 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 3iul n ALA 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3iul s GLU 112 N -2.94 0.82 0.15 0.00 -1.05 0.17 -4.95 118.70 110.90 3iul s GLU 112 Ca 0.78 -1.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.13 3iul s GLU 112 Cb -0.40 -0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 32.76 3iul s GLU 112 CO 0.45 0.06 1.21 0.08 0.95 0.00 0.00 175.26 178.01 3iul s VAL 113 N -2.60 3.69 -0.15 1.83 1.01 -1.26 -0.14 120.40 122.79 3iul s VAL 113 Ca 0.06 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 3iul s VAL 113 Cb -0.02 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3iul s VAL 113 CO -0.01 0.18 -0.16 0.33 0.00 0.00 0.00 175.10 175.44 3iul n PHE 114 N 2.98 0.00 -3.58 5.22 7.35 0.80 -4.81 117.46 125.42 3iul n PHE 114 Ca 0.06 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.63 3iul n PHE 114 Cb 0.45 -0.54 -0.11 0.00 0.35 0.00 0.00 39.48 39.63 3iul n PHE 114 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iul s LEU 115 N -6.33 -0.45 -0.39 -2.13 2.96 -0.68 -5.01 118.68 106.65 3iul s LEU 115 Ca -0.20 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3iul s LEU 115 Cb 0.07 0.94 0.11 0.00 0.50 0.00 0.00 46.19 47.80 3iul s LEU 115 CO 0.29 -0.26 0.15 -0.62 -1.32 0.00 0.00 176.35 174.60 3iul s ASP 116 N 2.49 5.11 0.58 3.68 -1.08 -1.26 -0.98 116.67 125.20 3iul s ASP 116 Ca 0.03 -2.04 0.27 0.00 -0.52 0.00 0.00 52.55 50.29 3iul s ASP 116 Cb -0.13 -1.77 1.67 0.00 -1.46 0.00 0.00 42.92 41.23 3iul s ASP 116 CO -0.12 -0.49 2.19 -0.65 0.52 0.00 0.00 175.17 176.62 3iul h PRO 117 N 7.93 0.00 -0.83 4.34 0.11 -1.90 -2.56 132.00 139.09 3iul h PRO 117 Ca -0.11 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.01 3iul h PRO 117 Cb 1.04 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3iul h PRO 117 CO 0.64 0.00 0.55 -0.91 -0.21 0.00 0.00 178.00 178.07 3iul h ASN 118 N 0.00 0.94 0.05 -2.05 2.35 -1.86 -1.94 115.58 113.07 3iul h ASN 118 Ca 0.03 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3iul h ASN 118 Cb 0.17 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3iul h ASN 118 CO -0.00 0.68 0.00 0.35 -1.65 0.00 0.00 177.43 176.81 3iul n THR 119 N -4.52 0.05 1.10 2.81 -2.24 -0.96 -3.53 114.28 106.99 3iul n THR 119 Ca 0.09 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 3iul n THR 119 Cb 0.03 -0.68 0.61 0.00 -2.10 0.00 0.00 70.33 68.19 3iul n THR 119 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3iul n LEU 120 N -1.04 0.00 -3.56 3.22 4.77 -0.73 -4.89 117.00 114.77 3iul n LEU 120 Ca 0.15 0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 3iul n LEU 120 Cb 0.08 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3iul n LEU 120 CO 0.13 -0.05 0.83 -0.94 -1.33 0.00 0.00 177.39 176.02 3iul s SER 121 N -2.70 -0.25 0.00 -1.43 1.04 -1.23 -4.84 113.70 104.29 3iul s SER 121 Ca 0.20 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3iul s SER 121 Cb 0.17 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3iul s SER 121 CO 0.41 -0.48 0.46 -2.65 0.98 0.00 0.00 173.24 171.95 3iul n PRO 122 N -0.22 0.00 0.00 4.02 -0.02 -1.26 -1.88 135.00 135.64 3iul n PRO 122 Ca -0.05 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3iul n PRO 122 Cb 0.60 -0.96 0.71 0.00 -0.02 0.00 0.00 33.50 33.83 3iul n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3iul n ASP 123 N -0.82 0.00 -2.60 2.55 5.68 -1.26 -4.87 116.55 115.24 3iul n ASP 123 Ca 0.00 -0.92 -0.12 0.00 -0.50 0.00 0.00 54.79 53.25 3iul n ASP 123 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.04 3iul n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iul n GLY 124 N 0.63 -0.08 1.08 6.12 0.00 -0.78 -4.92 105.19 107.23 3iul n GLY 124 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3iul n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iul n THR 125 N -3.35 0.68 -3.63 2.61 -2.24 -1.26 -4.73 114.28 102.36 3iul n THR 125 Ca -0.14 -0.75 -0.39 0.00 -2.27 0.00 0.00 64.05 60.50 3iul n THR 125 Cb 0.59 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 3iul n THR 125 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iul s THR 126 N -1.32 4.84 0.12 4.28 2.01 -1.26 -3.45 115.64 120.87 3iul s THR 126 Ca 0.39 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.25 3iul s THR 126 Cb 0.21 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3iul s THR 126 CO 0.28 0.13 -0.14 0.00 -0.69 0.00 0.00 174.62 174.20 3iul s ALA 127 N 1.67 2.83 -0.12 7.40 0.00 -1.13 -4.79 121.76 127.62 3iul s ALA 127 Ca 0.06 -1.33 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 3iul s ALA 127 Cb -0.17 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3iul s ALA 127 CO 0.08 0.59 0.78 -1.17 0.00 0.00 0.00 175.76 176.04 3iul s LEU 128 N -2.28 4.24 0.00 0.00 0.20 -1.26 -0.98 118.68 118.59 3iul s LEU 128 Ca 0.20 1.20 0.00 0.00 0.69 0.00 0.00 54.13 56.22 3iul s LEU 128 Cb -0.10 -3.18 0.00 0.00 -0.43 0.00 0.00 46.19 42.47 3iul s LEU 128 CO 0.12 -0.28 0.00 -0.67 -0.29 0.00 0.00 176.35 175.24 3iul n ASP 129 N 4.59 0.00 -4.89 3.68 -0.08 0.36 -4.95 116.55 115.26 3iul n ASP 129 Ca 0.02 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.00 3iul n ASP 129 Cb 0.50 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.92 3iul n ASP 129 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3iul s GLN 130 N 0.03 3.72 -0.11 -0.67 -1.52 -1.24 -4.89 119.66 114.98 3iul s GLN 130 Ca 0.00 0.17 -0.07 0.00 -1.95 0.00 0.00 55.36 53.52 3iul s GLN 130 Cb 0.00 -2.61 0.04 0.00 -0.22 0.00 0.00 33.01 30.22 3iul s GLN 130 CO 0.00 0.22 0.26 -1.17 -0.25 0.00 0.00 175.29 174.35 3iul s LEU 131 N -3.29 0.56 -0.20 2.90 0.20 -1.26 -0.58 118.68 117.01 3iul s LEU 131 Ca 0.46 0.55 -0.09 0.00 0.69 0.00 0.00 54.13 55.74 3iul s LEU 131 Cb -0.11 0.82 0.08 0.00 -0.43 0.00 0.00 46.19 46.55 3iul s LEU 131 CO 0.27 -0.14 0.44 -0.55 -0.29 0.00 0.00 176.35 176.07 3iul s SER 132 N 0.93 -0.44 0.23 3.68 0.15 0.31 -5.01 113.70 113.55 3iul s SER 132 Ca -0.07 1.01 -0.14 0.00 0.70 0.00 0.00 55.95 57.46 3iul s SER 132 Cb -0.08 1.15 -0.08 0.00 -1.71 0.00 0.00 66.02 65.31 3iul s SER 132 CO -0.06 -0.22 0.63 -0.36 1.20 0.00 0.00 173.24 174.43 3iul s PHE 133 N 2.07 3.49 0.99 3.44 0.08 -1.26 -1.08 117.98 125.71 3iul s PHE 133 Ca -0.06 1.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.97 3iul s PHE 133 Cb -0.10 -2.42 0.19 0.00 -0.57 0.00 0.00 43.02 40.12 3iul s PHE 133 CO -0.13 0.27 1.09 -1.54 -0.10 0.00 0.00 175.22 174.81 3iul s SER 134 N -2.06 2.47 0.30 1.36 1.04 -0.04 -4.82 113.70 111.95 3iul s SER 134 Ca 0.46 1.74 0.05 0.00 0.48 0.00 0.00 55.95 58.68 3iul s SER 134 Cb -0.13 -2.36 0.71 0.00 0.10 0.00 0.00 66.02 64.35 3iul s SER 134 CO 0.20 -3.31 1.78 -0.09 0.98 0.00 0.00 173.24 172.79 3iul h ARG 135 N -2.01 0.74 -0.00 4.02 9.65 -1.72 0.22 114.38 125.29 3iul h ARG 135 Ca -0.51 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 3iul h ARG 135 Cb 1.29 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3iul h ARG 135 CO 0.49 0.49 -0.02 -0.40 2.80 0.00 0.00 179.97 183.33 3iul n ASP 136 N -4.77 0.25 0.00 -3.80 5.68 -1.26 -4.81 116.55 107.83 3iul n ASP 136 Ca 0.23 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 3iul n ASP 136 Cb 0.55 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3iul n ASP 136 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iul n GLY 137 N 1.12 0.42 0.14 6.12 0.00 0.07 -3.70 105.19 109.35 3iul n GLY 137 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3iul n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iul h ARG 138 N 1.07 0.00 -5.55 1.61 3.08 -1.91 -3.41 114.38 109.26 3iul h ARG 138 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3iul h ARG 138 Cb 0.24 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.99 3iul h ARG 138 CO 0.00 0.00 -0.84 0.42 -1.07 0.00 0.00 179.97 178.48 3iul s ILE 139 N -3.29 1.40 -0.15 2.04 -1.09 -1.26 -1.54 121.20 117.31 3iul s ILE 139 Ca 0.03 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 57.71 3iul s ILE 139 Cb 0.09 -1.18 -0.00 0.00 -1.58 0.00 0.00 42.46 39.78 3iul s ILE 139 CO 0.74 0.40 -0.16 -0.22 -1.23 0.00 0.00 174.94 174.48 3iul s LEU 140 N -0.25 2.46 -0.14 2.97 2.96 -1.26 -0.86 118.68 124.55 3iul s LEU 140 Ca 0.03 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3iul s LEU 140 Cb -0.08 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3iul s LEU 140 CO 0.00 0.10 0.01 0.00 -1.32 0.00 0.00 176.35 175.14 3iul s ALA 141 N 0.73 3.22 -0.04 5.97 0.00 -0.24 -4.24 121.76 127.16 3iul s ALA 141 Ca -0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 3iul s ALA 141 Cb -0.16 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.33 3iul s ALA 141 CO 0.01 0.32 0.18 1.52 0.00 0.00 0.00 175.76 177.79 3iul s TYR 142 N -0.01 -0.13 -0.06 0.00 -0.85 -0.24 -0.53 117.35 115.53 3iul s TYR 142 Ca 0.03 0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 56.83 3iul s TYR 142 Cb -0.13 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.21 3iul s TYR 142 CO 0.02 -0.18 0.14 -1.54 -1.52 0.00 0.00 175.55 172.47 3iul s SER 143 N -0.49 6.24 0.03 -0.18 1.04 0.25 0.21 113.70 120.80 3iul s SER 143 Ca -0.06 0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.81 3iul s SER 143 Cb -0.04 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 3iul s SER 143 CO 0.01 0.33 -0.21 -0.76 0.98 0.00 0.00 173.24 173.59 3iul s LEU 144 N -1.47 2.14 0.55 2.42 1.43 -0.35 -0.49 118.68 122.90 3iul s LEU 144 Ca 0.21 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3iul s LEU 144 Cb -0.12 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.11 3iul s LEU 144 CO 0.11 0.19 0.30 -0.94 0.23 0.00 0.00 176.35 176.24 3iul s SER 145 N -1.02 4.49 0.00 2.29 1.04 -0.16 -2.26 113.70 118.08 3iul s SER 145 Ca 0.08 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.12 3iul s SER 145 Cb -0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3iul s SER 145 CO 0.01 -1.08 0.00 -0.11 0.98 0.00 0.00 173.24 173.05 3iul n LEU 146 N -1.65 0.00 0.00 2.42 0.00 -1.26 -2.82 117.00 113.69 3iul n LEU 146 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.94 3iul n LEU 146 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.07 3iul n LEU 146 CO 0.38 0.00 0.06 0.00 0.00 0.00 0.00 177.39 177.83 3iul n ALA 147 N -3.00 -0.04 -0.07 1.96 0.00 -1.22 -4.36 120.51 113.77 3iul n ALA 147 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3iul n ALA 147 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3iul n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iul n GLY 148 N 1.73 -0.22 0.00 0.00 0.00 -1.26 -5.06 105.19 100.39 3iul n GLY 148 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3iul n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iul n SER 149 N -3.30 0.00 -0.02 1.61 2.88 -1.26 -4.81 113.62 108.72 3iul n SER 149 Ca -0.27 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.41 3iul n SER 149 Cb 0.74 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.82 3iul n SER 149 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3iul n ASP 150 N 0.00 0.15 -4.78 -3.46 10.43 -1.26 -4.33 116.55 113.30 3iul n ASP 150 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 3iul n ASP 150 Cb 0.00 -0.27 -0.01 0.00 1.84 0.00 0.00 41.12 42.68 3iul n ASP 150 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3iul s TRP 151 N -2.76 2.86 0.14 1.24 0.52 -1.26 -4.39 118.94 115.29 3iul s TRP 151 Ca 0.21 1.56 0.03 0.00 0.02 0.00 0.00 56.10 57.92 3iul s TRP 151 Cb 0.19 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 3iul s TRP 151 CO 0.52 -1.33 -0.06 1.03 0.02 0.00 0.00 176.95 177.13 3iul s ARG 152 N -2.96 1.00 0.02 4.98 1.81 0.15 -4.43 118.95 119.52 3iul s ARG 152 Ca 0.67 -1.44 0.06 0.00 -1.72 0.00 0.00 55.73 53.30 3iul s ARG 152 Cb -0.24 -0.38 -0.02 0.00 -0.45 0.00 0.00 34.95 33.86 3iul s ARG 152 CO 0.29 -0.02 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.49 3iul s GLU 153 N -3.83 1.42 -0.26 3.54 2.02 -0.96 -2.29 118.70 118.34 3iul s GLU 153 Ca 0.17 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 3iul s GLU 153 Cb 0.05 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 3iul s GLU 153 CO -0.00 0.38 0.05 0.42 0.02 0.00 0.00 175.26 176.13 3iul s ILE 154 N -0.63 3.91 0.15 -1.63 1.01 0.11 -1.22 121.20 122.90 3iul s ILE 154 Ca 0.07 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3iul s ILE 154 Cb -0.08 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.42 3iul s ILE 154 CO 0.01 0.24 0.42 -1.00 0.00 0.00 0.00 174.94 174.60 3iul s HIS 155 N 1.53 3.48 0.36 3.97 3.76 0.13 -0.59 115.29 127.93 3iul s HIS 155 Ca 0.04 0.67 0.06 0.00 -0.15 0.00 0.00 55.06 55.69 3iul s HIS 155 Cb -0.16 -2.09 -0.07 0.00 1.11 0.00 0.00 32.58 31.37 3iul s HIS 155 CO 0.01 0.41 0.01 -0.51 -0.85 0.00 0.00 174.74 173.81 3iul s LEU 156 N -2.56 2.59 -0.15 0.89 1.43 -1.26 -1.08 118.68 118.54 3iul s LEU 156 Ca 0.41 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3iul s LEU 156 Cb -0.12 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.42 3iul s LEU 156 CO 0.23 -0.46 -0.04 -0.62 0.23 0.00 0.00 176.35 175.68 3iul s ASP 158 N -3.60 2.64 0.22 2.29 2.15 0.83 -0.32 116.67 120.88 3iul s ASP 158 Ca 0.35 -0.57 -0.09 0.00 0.43 0.00 0.00 52.55 52.66 3iul s ASP 158 Cb 0.08 -0.84 0.19 0.00 -0.30 0.00 0.00 42.92 42.05 3iul s ASP 158 CO 0.16 -0.19 1.89 0.58 -0.17 0.00 0.00 175.17 177.45 3iul h VAL 159 N 6.36 1.19 -0.60 1.11 2.07 -1.59 0.48 116.25 125.27 3iul h VAL 159 Ca -0.24 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3iul h VAL 159 Cb 1.12 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3iul h VAL 159 CO 0.38 0.20 0.08 -0.08 0.02 0.00 0.00 177.57 178.17 3iul h GLU 160 N 1.08 0.99 0.00 1.57 4.57 -1.93 -3.19 114.58 117.66 3iul h GLU 160 Ca 0.30 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3iul h GLU 160 Cb -0.10 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 3iul h GLU 160 CO -0.07 0.93 -1.74 -1.13 -1.18 0.00 0.00 179.01 175.82 3iul n SER 161 N -4.22 0.22 -0.48 1.04 3.41 -1.16 -4.97 113.62 107.46 3iul n SER 161 Ca 0.04 -0.02 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 3iul n SER 161 Cb 0.29 1.64 -0.03 0.00 -0.26 0.00 0.00 64.21 65.85 3iul n SER 161 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iul n LYS 162 N -2.26 -0.83 -3.91 4.33 5.02 0.17 -5.01 118.16 115.67 3iul n LYS 162 Ca -0.03 0.62 -0.24 0.00 -2.02 0.00 0.00 58.31 56.65 3iul n LYS 162 Cb 0.55 -4.48 -0.02 0.00 -0.02 0.00 0.00 35.03 31.05 3iul n LYS 162 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iul s GLN 163 N -2.14 3.45 0.13 1.97 -1.52 -1.21 -4.83 119.66 115.51 3iul s GLN 163 Ca 0.00 -0.64 -0.31 0.00 -1.95 0.00 0.00 55.36 52.46 3iul s GLN 163 Cb 0.00 -2.91 -0.09 0.00 -0.22 0.00 0.00 33.01 29.80 3iul s GLN 163 CO 0.00 0.45 1.48 -2.14 -0.25 0.00 0.00 175.29 174.83 3iul s PRO 164 N -3.62 4.27 -0.03 2.91 0.02 -1.26 -0.12 135.00 137.17 3iul s PRO 164 Ca 0.35 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 3iul s PRO 164 Cb -0.10 -3.24 -0.32 0.00 0.02 0.00 0.00 34.50 30.85 3iul s PRO 164 CO 0.29 -0.53 0.83 1.25 -0.33 0.00 0.00 177.00 178.51 3iul h LEU 165 N 6.97 0.65 -8.54 -5.54 5.85 -1.06 -3.45 115.31 110.19 3iul h LEU 165 Ca -0.42 -0.92 -0.23 0.00 0.84 0.00 0.00 57.88 57.15 3iul h LEU 165 Cb 1.21 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 3iul h LEU 165 CO 0.89 1.65 -0.43 -1.61 -0.34 0.00 0.00 178.44 178.60 3iul s GLU 166 N -2.54 1.43 0.47 1.25 2.02 -1.25 -5.06 118.70 115.01 3iul s GLU 166 Ca -0.13 -1.60 -0.23 0.00 0.02 0.00 0.00 54.97 53.03 3iul s GLU 166 Cb 0.04 0.35 -0.07 0.00 0.10 0.00 0.00 34.13 34.54 3iul s GLU 166 CO 0.87 -0.53 1.20 -0.08 0.02 0.00 0.00 175.26 176.74 3iul s THR 167 N -3.91 2.96 0.51 3.63 -1.32 -1.26 -4.55 115.64 111.69 3iul s THR 167 Ca 0.34 0.73 -0.21 0.00 -1.21 0.00 0.00 61.69 61.33 3iul s THR 167 Cb 0.04 -3.37 -0.06 0.00 -1.51 0.00 0.00 72.50 67.60 3iul s THR 167 CO 0.14 -0.00 1.20 -2.16 -2.21 0.00 0.00 174.62 171.59 3iul s PRO 168 N -2.69 3.43 0.17 7.08 0.04 -1.26 -4.85 135.00 136.91 3iul s PRO 168 Ca 0.64 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 3iul s PRO 168 Cb -0.31 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 3iul s PRO 168 CO 0.37 -0.84 1.05 -0.51 0.04 0.00 0.00 177.00 177.12 3iul s LEU 169 N -3.43 4.50 0.40 -3.56 1.02 0.25 -4.84 118.68 113.02 3iul s LEU 169 Ca 0.69 2.01 0.08 0.00 0.02 0.00 0.00 54.13 56.92 3iul s LEU 169 Cb -0.30 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 3iul s LEU 169 CO 0.36 -0.16 0.24 -0.54 0.02 0.00 0.00 176.35 176.27 3iul s LYS 170 N -0.34 2.36 -1.40 1.70 1.02 -1.26 -0.71 119.74 121.10 3iul s LYS 170 Ca 0.48 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.78 3iul s LYS 170 Cb -0.28 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3iul s LYS 170 CO 0.33 -0.11 0.00 -0.25 -0.92 0.00 0.00 175.35 174.40 3iul n ASP 171 N -1.33 -4.83 -4.80 2.83 9.92 -1.24 -4.97 116.55 112.13 3iul n ASP 171 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.88 3iul n ASP 171 Cb 0.63 -3.93 -0.06 0.00 -0.64 0.00 0.00 41.12 37.12 3iul n ASP 171 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3iul s VAL 172 N -2.80 4.76 -0.18 2.53 1.01 -0.97 -4.42 120.40 120.33 3iul s VAL 172 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 3iul s VAL 172 Cb 0.00 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.51 3iul s VAL 172 CO 0.00 0.52 0.48 -0.75 0.00 0.00 0.00 175.10 175.36 3iul s LYS 173 N -0.91 0.56 -1.39 2.72 2.20 -1.17 0.33 119.74 122.08 3iul s LYS 173 Ca 0.30 0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 56.52 3iul s LYS 173 Cb -0.19 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 3iul s LYS 173 CO 0.19 -0.07 0.40 1.19 -0.36 0.00 0.00 175.35 176.70 3iul n PHE 174 N 2.84 -1.58 -4.53 4.03 3.72 -1.26 -4.46 117.46 116.21 3iul n PHE 174 Ca -0.13 0.63 -0.26 0.00 -0.05 0.00 0.00 57.45 57.64 3iul n PHE 174 Cb 0.57 -3.46 -0.14 0.00 -0.94 0.00 0.00 39.48 35.52 3iul n PHE 174 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3iul s SER 175 N -4.20 2.62 0.33 4.37 0.15 -1.26 -4.85 113.70 110.87 3iul s SER 175 Ca 0.10 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.18 3iul s SER 175 Cb -0.04 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.12 3iul s SER 175 CO 0.91 0.14 0.37 0.61 1.20 0.00 0.00 173.24 176.47 3iul n GLY 176 N 1.51 1.60 2.67 9.45 0.00 -1.26 -4.94 105.19 114.23 3iul n GLY 176 Ca -0.18 -2.12 -0.20 0.00 0.00 0.00 0.00 46.02 43.52 3iul n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iul s ILE 177 N -0.73 -0.09 -0.06 -0.61 1.01 -1.26 -4.43 121.20 115.03 3iul s ILE 177 Ca 0.27 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.30 3iul s ILE 177 Cb -0.02 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.30 3iul s ILE 177 CO 0.17 0.16 0.02 -0.55 0.00 0.00 0.00 174.94 174.74 3iul s SER 178 N 2.16 1.29 0.31 3.58 0.15 -0.91 -4.84 113.70 115.44 3iul s SER 178 Ca 0.05 -0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.43 3iul s SER 178 Cb -0.12 -0.33 -0.10 0.00 -1.71 0.00 0.00 66.02 63.76 3iul s SER 178 CO -0.03 -0.19 0.88 0.26 1.20 0.00 0.00 173.24 175.35 3iul s TRP 179 N 1.87 3.62 -0.50 3.44 0.52 -1.26 -0.40 118.94 126.23 3iul s TRP 179 Ca 0.03 1.63 -0.08 0.00 0.02 0.00 0.00 56.10 57.69 3iul s TRP 179 Cb -0.12 -2.81 0.13 0.00 -1.15 0.00 0.00 33.47 29.51 3iul s TRP 179 CO -0.04 0.20 0.36 -1.17 0.02 0.00 0.00 176.95 176.32 3iul s LEU 180 N -2.22 5.68 0.00 2.99 2.96 0.29 -4.70 118.68 123.68 3iul s LEU 180 Ca 0.50 -2.05 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 3iul s LEU 180 Cb -0.16 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3iul s LEU 180 CO 0.21 -0.65 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 3iul n GLY 181 N 4.71 3.56 0.12 7.98 0.00 -1.26 -1.98 105.19 118.32 3iul n GLY 181 Ca -0.05 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 3iul n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iul n ASN 182 N 5.15 2.35 0.09 1.61 3.02 -1.26 -1.82 115.26 124.40 3iul n ASN 182 Ca 0.00 -2.68 -0.20 0.00 -0.03 0.00 0.00 54.58 51.66 3iul n ASN 182 Cb 0.00 -0.29 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 3iul n ASN 182 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3iul h GLU 183 N 0.18 0.37 0.00 3.52 5.08 -1.81 -3.47 114.58 118.45 3iul h GLU 183 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3iul h GLU 183 Cb 0.85 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3iul h GLU 183 CO 0.01 1.27 0.00 0.41 -1.00 0.00 0.00 179.01 179.70 3iul n GLY 184 N 1.71 -1.14 3.19 -3.84 0.00 -1.24 -1.09 105.19 102.78 3iul n GLY 184 Ca -0.18 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 3iul n GLY 184 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iul s PHE 185 N -3.00 0.16 -0.01 1.61 -0.12 -0.72 -0.55 117.98 115.35 3iul s PHE 185 Ca 0.00 -0.54 -0.10 0.00 -0.05 0.00 0.00 56.93 56.23 3iul s PHE 185 Cb 0.00 -0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 3iul s PHE 185 CO 0.00 -0.50 0.32 -0.06 -0.05 0.00 0.00 175.22 174.93 3iul s PHE 186 N -3.51 3.64 0.26 3.49 0.08 0.47 -0.72 117.98 121.69 3iul s PHE 186 Ca 0.02 0.76 -0.09 0.00 0.12 0.00 0.00 56.93 57.74 3iul s PHE 186 Cb 0.03 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 3iul s PHE 186 CO -0.09 0.64 0.44 1.52 -0.10 0.00 0.00 175.22 177.62 3iul s TYR 187 N -1.18 0.62 0.10 0.36 -0.85 -0.77 -2.15 117.35 113.48 3iul s TYR 187 Ca 0.24 -0.94 0.10 0.00 -0.52 0.00 0.00 57.07 55.95 3iul s TYR 187 Cb -0.14 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3iul s TYR 187 CO 0.13 -0.99 -0.25 -1.12 -1.52 0.00 0.00 175.55 171.80 3iul s SER 188 N -3.09 3.38 -0.06 -0.18 0.01 -1.26 -1.20 113.70 111.30 3iul s SER 188 Ca 0.26 -0.67 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 3iul s SER 188 Cb 0.00 -0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.00 3iul s SER 188 CO 0.12 0.20 0.68 -0.55 0.41 0.00 0.00 173.24 174.10 3iul s SER 189 N -1.83 -0.66 0.30 2.44 0.15 -0.23 -3.03 113.70 110.84 3iul s SER 189 Ca 0.14 0.76 0.24 0.00 0.70 0.00 0.00 55.95 57.79 3iul s SER 189 Cb -0.10 0.60 0.37 0.00 -1.71 0.00 0.00 66.02 65.17 3iul s SER 189 CO 0.05 -0.58 1.48 1.88 1.20 0.00 0.00 173.24 177.27 3iul h TYR 190 N 3.15 0.00 -4.24 3.44 0.05 -1.80 0.19 116.97 117.76 3iul h TYR 190 Ca -0.27 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 57.97 3iul h TYR 190 Cb 1.14 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.60 3iul h TYR 190 CO 0.38 0.00 -0.83 -0.51 -1.05 0.00 0.00 178.16 176.15 3iul s ASP 191 N -5.39 2.06 0.21 3.88 1.01 -1.26 -4.61 116.67 112.57 3iul s ASP 191 Ca 0.06 -0.38 -0.32 0.00 0.71 0.00 0.00 52.55 52.63 3iul s ASP 191 Cb 0.09 -0.20 -0.15 0.00 1.01 0.00 0.00 42.92 43.67 3iul s ASP 191 CO 0.69 0.17 1.18 0.29 0.21 0.00 0.00 175.17 177.71 3iul n LYS 192 N 2.36 1.37 0.00 8.23 5.02 -1.26 -4.92 118.16 128.96 3iul n LYS 192 Ca -0.16 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3iul n LYS 192 Cb 0.54 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3iul n LYS 192 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3iul n PRO 193 N 1.61 0.00 -0.19 1.97 -0.02 -1.26 -5.09 135.00 132.02 3iul n PRO 193 Ca 0.13 0.78 -0.05 0.00 -2.02 0.00 0.00 63.50 62.34 3iul n PRO 193 Cb 0.27 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 3iul n PRO 193 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3iul n ASP 194 N -2.24 -0.47 -4.76 2.55 5.68 -1.26 -4.73 116.55 111.32 3iul n ASP 194 Ca 0.00 0.99 -0.38 0.00 -0.50 0.00 0.00 54.79 54.90 3iul n ASP 194 Cb 0.00 -0.20 0.01 0.00 -1.14 0.00 0.00 41.12 39.79 3iul n ASP 194 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iul s ALA 200 N -4.80 2.97 0.50 2.12 0.00 -1.26 -5.06 121.76 116.24 3iul s ALA 200 Ca -0.05 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 3iul s ALA 200 Cb 0.05 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 3iul s ALA 200 CO 0.27 -1.02 1.29 1.03 0.00 0.00 0.00 175.76 177.34 3iul s ARG 201 N -2.69 3.46 0.37 0.00 3.00 -1.26 -5.05 118.95 116.77 3iul s ARG 201 Ca 0.66 2.08 0.04 0.00 0.00 0.00 0.00 55.73 58.51 3iul s ARG 201 Cb -0.36 -2.37 -0.03 0.00 0.00 0.00 0.00 34.95 32.19 3iul s ARG 201 CO 0.44 -0.89 0.17 0.95 0.00 0.00 0.00 175.30 175.97 3iul s THR 202 N -1.38 0.40 -0.25 0.02 -4.23 -1.26 -5.04 115.64 103.91 3iul s THR 202 Ca 0.67 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.31 3iul s THR 202 Cb -0.36 -2.42 0.66 0.00 1.34 0.00 0.00 72.50 71.72 3iul s THR 202 CO 0.44 0.00 1.62 -0.90 -0.54 0.00 0.00 174.62 175.24 3iul n ASP 203 N -1.28 4.47 -4.37 3.99 5.75 -1.26 -4.86 116.55 118.99 3iul n ASP 203 Ca -0.01 -3.14 -0.45 0.00 -0.01 0.00 0.00 54.79 51.18 3iul n ASP 203 Cb 0.64 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3iul n ASP 203 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3iul s GLN 204 N -2.91 3.30 0.23 0.11 -0.21 -1.26 -3.88 119.66 115.03 3iul s GLN 204 Ca 0.49 -1.76 -0.30 0.00 0.02 0.00 0.00 55.36 53.81 3iul s GLN 204 Cb 0.40 -4.44 -0.09 0.00 1.00 0.00 0.00 33.01 29.88 3iul s GLN 204 CO 0.11 -1.49 1.22 -1.58 -2.12 0.00 0.00 175.29 171.42 3iul s HIS 205 N 1.87 3.37 0.10 0.91 2.46 -0.21 -4.56 115.29 119.23 3iul s HIS 205 Ca 0.16 1.44 0.06 0.00 0.47 0.00 0.00 55.06 57.19 3iul s HIS 205 Cb -0.17 -3.47 -0.03 0.00 -0.13 0.00 0.00 32.58 28.77 3iul s HIS 205 CO -0.01 -1.30 -0.16 0.15 -2.47 0.00 0.00 174.74 170.94 3iul s LYS 206 N -0.66 1.01 -0.17 2.88 1.02 0.05 -4.59 119.74 119.29 3iul s LYS 206 Ca 0.51 -1.15 -0.09 0.00 0.02 0.00 0.00 55.97 55.27 3iul s LYS 206 Cb -0.34 -1.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.88 3iul s LYS 206 CO 0.40 0.22 0.13 0.08 -0.92 0.00 0.00 175.35 175.26 3iul s VAL 207 N -1.60 5.40 0.18 3.17 1.01 -0.13 -1.06 120.40 127.37 3iul s VAL 207 Ca 0.05 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.29 3iul s VAL 207 Cb -0.08 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3iul s VAL 207 CO 0.03 0.52 -0.15 -0.31 0.00 0.00 0.00 175.10 175.19 3iul s TYR 208 N -0.22 1.66 -0.16 5.22 2.02 -0.34 -0.20 117.35 125.34 3iul s TYR 208 Ca 0.11 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3iul s TYR 208 Cb -0.11 -0.79 0.01 0.00 -0.40 0.00 0.00 41.96 40.67 3iul s TYR 208 CO 0.01 0.31 -0.21 0.12 -1.57 0.00 0.00 175.55 174.21 3iul s PHE 209 N -2.75 2.68 -0.27 2.71 5.36 -0.42 -1.85 117.98 123.44 3iul s PHE 209 Ca 0.19 -1.46 -0.12 0.00 -0.96 0.00 0.00 56.93 54.59 3iul s PHE 209 Cb -0.02 -1.84 -0.05 0.00 -0.34 0.00 0.00 43.02 40.77 3iul s PHE 209 CO 0.06 -0.69 0.23 -1.58 -1.46 0.00 0.00 175.22 171.77 3iul s HIS 210 N 1.03 3.23 -0.18 10.12 5.65 0.10 -2.53 115.29 132.71 3iul s HIS 210 Ca -0.02 0.19 -0.18 0.00 0.25 0.00 0.00 55.06 55.30 3iul s HIS 210 Cb -0.14 -2.41 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 3iul s HIS 210 CO -0.07 -0.16 0.48 0.50 -0.65 0.00 0.00 174.74 174.85 3iul s ARG 211 N 1.77 4.22 0.39 2.88 3.52 -1.26 -1.75 118.95 128.72 3iul s ARG 211 Ca 0.09 0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 55.79 3iul s ARG 211 Cb -0.16 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.60 3iul s ARG 211 CO 0.10 -0.05 1.38 1.28 -0.81 0.00 0.00 175.30 177.21 3iul n LEU 212 N 4.43 4.34 0.00 -0.88 4.77 -0.25 -2.62 117.00 126.79 3iul n LEU 212 Ca -0.06 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 3iul n LEU 212 Cb 0.51 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 3iul n LEU 212 CO 0.42 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3iul n GLY 213 N 0.63 0.79 3.30 -0.72 0.00 -1.26 -4.99 105.19 102.94 3iul n GLY 213 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3iul n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iul s THR 214 N -2.00 0.75 0.32 2.61 -4.23 -1.08 -5.15 115.64 106.86 3iul s THR 214 Ca 0.00 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.35 3iul s THR 214 Cb 0.00 -2.40 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 3iul s THR 214 CO 0.00 -0.24 0.75 0.00 -0.54 0.00 0.00 174.62 174.59 3iul s ALA 215 N -3.62 3.31 0.47 3.99 0.00 -1.26 -4.91 121.76 119.74 3iul s ALA 215 Ca 0.31 0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.48 3iul s ALA 215 Cb 0.07 -2.80 1.10 0.00 0.00 0.00 0.00 23.12 21.48 3iul s ALA 215 CO 0.09 0.32 2.07 0.37 0.00 0.00 0.00 175.76 178.61 3iul h GLN 216 N 2.34 0.26 -0.01 0.00 4.15 -1.95 -0.12 115.11 119.78 3iul h GLN 216 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3iul h GLN 216 Cb 1.18 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3iul h GLN 216 CO 0.65 0.17 0.04 1.05 -1.93 0.00 0.00 178.83 178.82 3iul h GLU 217 N 0.27 0.00 -0.67 1.69 4.11 -1.93 0.29 114.58 118.34 3iul h GLU 217 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3iul h GLU 217 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3iul h GLU 217 CO -0.03 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.80 3iul n ASP 218 N -3.20 3.62 -4.76 3.06 8.00 -0.06 -4.10 116.55 119.11 3iul n ASP 218 Ca -0.03 -2.00 -0.41 0.00 0.71 0.00 0.00 54.79 53.06 3iul n ASP 218 Cb 0.11 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 3iul n ASP 218 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3iul s ASP 219 N -1.03 6.45 0.11 -2.24 1.11 0.09 -4.96 116.67 116.21 3iul s ASP 219 Ca 0.45 2.90 -0.28 0.00 0.18 0.00 0.00 52.55 55.80 3iul s ASP 219 Cb 0.24 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.52 3iul s ASP 219 CO 0.31 -0.83 0.89 -0.60 1.18 0.00 0.00 175.17 176.13 3iul s ARG 220 N -1.06 4.65 0.08 8.23 3.52 -1.05 -4.83 118.95 128.48 3iul s ARG 220 Ca 0.58 1.33 -0.31 0.00 -0.13 0.00 0.00 55.73 57.20 3iul s ARG 220 Cb -0.46 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.52 3iul s ARG 220 CO 0.52 0.28 1.21 -1.17 -0.81 0.00 0.00 175.30 175.33 3iul s LEU 221 N -0.18 4.38 -0.13 -0.88 1.98 -1.26 -1.30 118.68 121.29 3iul s LEU 221 Ca 0.43 2.07 0.05 0.00 -2.89 0.00 0.00 54.13 53.79 3iul s LEU 221 Cb -0.23 -3.58 -0.11 0.00 0.66 0.00 0.00 46.19 42.93 3iul s LEU 221 CO 0.28 -0.47 -0.06 0.52 -1.89 0.00 0.00 176.35 174.74 3iul n VAL 222 N 3.72 0.80 -3.54 1.68 0.31 0.72 -4.93 118.33 117.09 3iul n VAL 222 Ca 0.08 -0.39 -0.15 0.00 -0.01 0.00 0.00 64.34 63.88 3iul n VAL 222 Cb 0.46 -0.88 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 3iul n VAL 222 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3iul s PHE 223 N -2.28 -0.55 0.00 3.52 5.36 -1.11 -4.96 117.98 117.96 3iul s PHE 223 Ca -0.13 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 3iul s PHE 223 Cb 0.04 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 3iul s PHE 223 CO 0.39 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 3iul n GLY 224 N 0.82 0.48 0.13 13.12 0.00 -1.26 -0.95 105.19 117.52 3iul n GLY 224 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3iul n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iul h ALA 225 N 0.00 0.31 -2.47 4.61 0.00 -1.87 -3.37 119.26 116.46 3iul h ALA 225 Ca 0.00 -1.25 -0.49 0.00 0.00 0.00 0.00 54.91 53.17 3iul h ALA 225 Cb 0.00 0.64 0.05 0.00 0.00 0.00 0.00 17.79 18.48 3iul h ALA 225 CO 0.00 1.02 0.41 0.96 0.00 0.00 0.00 179.25 181.63 3iul s ILE 226 N -2.49 3.46 0.31 0.00 -4.36 -1.26 -4.87 121.20 112.00 3iul s ILE 226 Ca -0.23 0.89 0.08 0.00 -0.26 0.00 0.00 60.65 61.13 3iul s ILE 226 Cb 0.06 -3.35 0.32 0.00 1.25 0.00 0.00 42.46 40.73 3iul s ILE 226 CO 0.73 -0.22 1.66 -0.65 0.24 0.00 0.00 174.94 176.70 3iul h PRO 227 N 1.25 0.28 0.00 0.37 0.11 -1.99 0.74 132.00 132.76 3iul h PRO 227 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iul h PRO 227 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iul h PRO 227 CO 0.58 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 3iul n ALA 228 N -2.49 1.45 -0.01 -0.75 0.00 -1.26 -2.06 120.51 115.40 3iul n ALA 228 Ca 0.27 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.76 3iul n ALA 228 Cb 0.83 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 19.14 3iul n ALA 228 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iul n GLN 229 N -1.74 2.18 -1.97 0.00 6.02 0.24 -5.01 117.38 117.09 3iul n GLN 229 Ca 0.02 -1.65 -0.42 0.00 -0.01 0.00 0.00 57.00 54.93 3iul n GLN 229 Cb 0.13 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 3iul n GLN 229 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3iul s HIS 230 N -0.91 2.00 0.03 1.08 3.76 -0.87 -4.19 115.29 116.19 3iul s HIS 230 Ca 0.15 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 55.14 3iul s HIS 230 Cb 0.08 -3.94 0.00 0.00 1.11 0.00 0.00 32.58 29.83 3iul s HIS 230 CO 0.11 -3.96 0.17 -1.01 -0.85 0.00 0.00 174.74 169.20 3iul s HIS 231 N 3.84 0.07 0.25 1.40 3.76 -1.26 -5.05 115.29 118.29 3iul s HIS 231 Ca 0.74 -0.26 0.10 0.00 -0.15 0.00 0.00 55.06 55.49 3iul s HIS 231 Cb -0.35 -0.05 0.29 0.00 1.11 0.00 0.00 32.58 33.58 3iul s HIS 231 CO 0.31 -0.39 1.57 -0.09 -0.85 0.00 0.00 174.74 175.29 3iul h ARG 232 N 3.67 0.00 -3.65 1.40 2.43 -1.61 -0.55 114.38 116.08 3iul h ARG 232 Ca -0.32 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.49 3iul h ARG 232 Cb 1.19 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.39 3iul h ARG 232 CO 0.47 0.66 -0.75 0.71 -1.51 0.00 0.00 179.97 179.55 3iul s TYR 233 N -3.50 0.32 0.04 2.20 2.02 -0.04 -4.17 117.35 114.22 3iul s TYR 233 Ca -0.01 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.75 3iul s TYR 233 Cb 0.12 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 41.19 3iul s TYR 233 CO 0.77 -0.17 -0.12 0.14 -1.57 0.00 0.00 175.55 174.60 3iul s VAL 234 N 1.34 0.93 0.04 0.71 -7.23 -1.26 -0.38 120.40 114.56 3iul s VAL 234 Ca -0.05 -1.00 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3iul s VAL 234 Cb -0.13 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3iul s VAL 234 CO -0.02 -0.10 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.80 3iul s GLY 235 N -1.24 0.42 -0.02 2.32 0.00 -0.34 -4.81 107.32 103.65 3iul s GLY 235 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3iul s GLY 235 CO 0.01 -1.12 0.02 0.00 0.00 0.00 0.00 173.10 172.01 3iul s ALA 236 N -3.10 0.10 -0.03 3.20 0.00 -1.26 -1.23 121.76 119.44 3iul s ALA 236 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.24 3iul s ALA 236 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3iul s ALA 236 CO -0.07 -0.09 -0.13 0.99 0.00 0.00 0.00 175.76 176.47 3iul s THR 237 N 0.92 1.07 -0.14 0.00 2.01 -0.30 -4.49 115.64 114.71 3iul s THR 237 Ca -0.08 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 3iul s THR 237 Cb -0.11 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 3iul s THR 237 CO -0.02 0.32 0.03 -0.69 -0.69 0.00 0.00 174.62 173.57 3iul s VAL 238 N 0.12 4.55 0.79 3.82 1.01 -1.26 -0.27 120.40 129.16 3iul s VAL 238 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 3iul s VAL 238 Cb -0.10 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.36 3iul s VAL 238 CO 0.01 0.53 1.14 0.42 0.00 0.00 0.00 175.10 177.20 3iul s THR 239 N -0.21 2.72 0.43 3.92 -4.23 0.16 -4.87 115.64 113.55 3iul s THR 239 Ca 0.07 0.27 0.19 0.00 -1.18 0.00 0.00 61.69 61.04 3iul s THR 239 Cb -0.12 -2.64 0.39 0.00 1.34 0.00 0.00 72.50 71.46 3iul s THR 239 CO 0.02 -0.27 1.87 -0.08 -0.54 0.00 0.00 174.62 175.62 3iul h GLU 240 N -0.98 0.36 -0.35 3.99 4.81 -1.96 0.13 114.58 120.58 3iul h GLU 240 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3iul h GLU 240 Cb 1.26 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3iul h GLU 240 CO 0.48 0.23 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 3iul n ASP 241 N -4.49 1.99 -0.77 1.04 5.75 -1.26 -4.91 116.55 113.89 3iul n ASP 241 Ca 0.18 -1.96 -0.10 0.00 -0.01 0.00 0.00 54.79 52.90 3iul n ASP 241 Cb 0.70 -0.23 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 3iul n ASP 241 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3iul n ASP 242 N 0.58 -5.35 0.05 -1.12 8.00 0.46 -4.89 116.55 114.29 3iul n ASP 242 Ca 0.13 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.72 3iul n ASP 242 Cb 0.32 -3.74 -0.14 0.00 -0.02 0.00 0.00 41.12 37.54 3iul n ASP 242 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3iul h ARG 243 N 0.06 0.21 -5.66 -1.24 2.43 -1.91 -3.44 114.38 104.84 3iul h ARG 243 Ca -0.21 -0.36 -0.52 0.00 -0.81 0.00 0.00 59.98 58.08 3iul h ARG 243 Cb 1.04 0.14 -0.27 0.00 -0.42 0.00 0.00 29.97 30.45 3iul h ARG 243 CO 0.30 1.05 -0.82 -0.06 -1.51 0.00 0.00 179.97 178.93 3iul s PHE 244 N -2.62 1.51 -0.20 2.20 0.08 -1.26 0.11 117.98 117.80 3iul s PHE 244 Ca -0.09 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.58 3iul s PHE 244 Cb 0.07 -0.92 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3iul s PHE 244 CO 0.84 0.03 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.82 3iul s LEU 245 N -0.87 3.26 -0.17 -0.37 2.96 -0.77 -0.67 118.68 122.04 3iul s LEU 245 Ca 0.05 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3iul s LEU 245 Cb -0.08 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3iul s LEU 245 CO 0.01 0.06 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.23 3iul s LEU 246 N 1.00 2.67 -0.21 -0.68 2.01 0.63 -1.34 118.68 122.75 3iul s LEU 246 Ca 0.02 -0.42 -0.03 0.00 0.01 0.00 0.00 54.13 53.71 3iul s LEU 246 Cb -0.14 -1.63 -0.00 0.00 0.01 0.00 0.00 46.19 44.42 3iul s LEU 246 CO 0.02 0.06 -0.07 -0.63 1.01 0.00 0.00 176.35 176.74 3iul s ILE 247 N 0.96 3.09 0.03 -0.59 1.01 -0.14 -1.15 121.20 124.41 3iul s ILE 247 Ca -0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3iul s ILE 247 Cb -0.15 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3iul s ILE 247 CO -0.01 0.43 0.26 -0.94 0.00 0.00 0.00 174.94 174.68 3iul s SER 248 N 1.43 6.45 -0.05 3.58 1.04 -0.36 -0.96 113.70 124.83 3iul s SER 248 Ca 0.05 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 3iul s SER 248 Cb -0.14 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 63.96 3iul s SER 248 CO -0.05 0.22 0.12 0.00 0.98 0.00 0.00 173.24 174.50 3iul s ALA 249 N -1.38 -0.18 0.14 5.32 0.00 -0.64 -1.20 121.76 123.81 3iul s ALA 249 Ca 0.30 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 3iul s ALA 249 Cb -0.13 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.63 3iul s ALA 249 CO 0.19 -0.14 0.40 0.00 0.00 0.00 0.00 175.76 176.21 3iul s ALA 250 N 1.08 -0.78 -0.59 0.00 0.00 0.49 0.11 121.76 122.08 3iul s ALA 250 Ca -0.09 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 51.75 3iul s ALA 250 Cb -0.11 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 3iul s ALA 250 CO -0.05 -0.67 0.47 0.09 0.00 0.00 0.00 175.76 175.61 3iul n ASN 251 N -0.24 0.67 -1.54 0.00 5.03 -1.26 -0.86 115.26 117.06 3iul n ASN 251 Ca -0.14 -0.83 -0.03 0.00 0.87 0.00 0.00 54.58 54.45 3iul n ASN 251 Cb 0.63 0.86 0.01 0.00 -1.02 0.00 0.00 39.78 40.26 3iul n ASN 251 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3iul n SER 252 N -0.96 -0.68 0.00 6.41 3.41 -1.26 -4.82 113.62 115.71 3iul n SER 252 Ca 0.02 -1.49 0.13 0.00 -0.26 0.00 0.00 58.87 57.28 3iul n SER 252 Cb 0.17 1.14 0.67 0.00 -0.26 0.00 0.00 64.21 65.93 3iul n SER 252 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iul n THR 253 N -0.16 0.13 -3.67 6.66 -2.24 -1.26 -4.61 114.28 109.12 3iul n THR 253 Ca -0.03 0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 3iul n THR 253 Cb 0.18 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 67.72 3iul n THR 253 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iul s SER 254 N -2.60 5.49 0.00 3.42 0.15 -1.26 -5.00 113.70 113.90 3iul s SER 254 Ca 0.25 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.36 3iul s SER 254 Cb 0.18 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 3iul s SER 254 CO 0.42 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3iul n GLY 255 N 4.83 -1.84 3.47 9.45 0.00 -1.26 -4.89 105.19 114.95 3iul n GLY 255 Ca -0.09 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 3iul n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iul s ASN 256 N -2.22 -0.58 0.59 1.61 4.22 -0.69 -4.57 114.94 113.30 3iul s ASN 256 Ca 0.00 0.74 -0.07 0.00 -2.14 0.00 0.00 52.86 51.39 3iul s ASN 256 Cb 0.00 0.69 -0.01 0.00 1.28 0.00 0.00 41.25 43.21 3iul s ASN 256 CO 0.00 -0.48 0.92 -0.13 -2.04 0.00 0.00 177.10 175.37 3iul s ARG 257 N -0.84 3.12 -0.13 3.55 0.52 0.12 -4.56 118.95 120.73 3iul s ARG 257 Ca -0.09 0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 55.24 3iul s ARG 257 Cb -0.02 -2.23 0.05 0.00 0.52 0.00 0.00 34.95 33.26 3iul s ARG 257 CO 0.07 -0.63 0.32 -1.17 0.02 0.00 0.00 175.30 173.90 3iul s LEU 258 N -5.02 0.37 0.11 2.53 2.96 -0.42 -1.62 118.68 117.58 3iul s LEU 258 Ca 0.53 0.67 0.08 0.00 -0.22 0.00 0.00 54.13 55.20 3iul s LEU 258 Cb -0.11 1.03 -0.04 0.00 0.50 0.00 0.00 46.19 47.58 3iul s LEU 258 CO 0.47 -0.16 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.82 3iul s TYR 259 N 0.98 1.81 0.01 5.38 2.02 -0.13 -0.07 117.35 127.35 3iul s TYR 259 Ca -0.07 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 3iul s TYR 259 Cb -0.07 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 3iul s TYR 259 CO -0.07 0.22 -0.16 0.54 -1.57 0.00 0.00 175.55 174.50 3iul s VAL 260 N -1.20 1.28 -0.07 0.71 0.11 0.29 -0.97 120.40 120.56 3iul s VAL 260 Ca 0.07 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 3iul s VAL 260 Cb -0.10 -1.09 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 3iul s VAL 260 CO 0.04 0.27 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.21 3iul s LYS 261 N -0.63 1.69 -0.59 1.54 2.20 -0.45 -0.45 119.74 123.05 3iul s LYS 261 Ca 0.05 -0.40 -0.24 0.00 -0.36 0.00 0.00 55.97 55.02 3iul s LYS 261 Cb -0.07 -1.42 0.05 0.00 -1.51 0.00 0.00 37.83 34.88 3iul s LYS 261 CO 0.00 0.01 1.00 0.34 -0.36 0.00 0.00 175.35 176.33 3iul s ASP 262 N 0.74 6.30 0.14 1.43 -1.08 -1.26 -1.84 116.67 121.09 3iul s ASP 262 Ca -0.13 -0.46 0.21 0.00 -0.52 0.00 0.00 52.55 51.65 3iul s ASP 262 Cb -0.16 -2.45 0.85 0.00 -1.46 0.00 0.00 42.92 39.70 3iul s ASP 262 CO 0.03 -1.35 1.64 0.18 0.52 0.00 0.00 175.17 176.19 3iul n LEU 263 N 7.77 0.38 0.05 -1.34 4.77 0.12 -2.29 117.00 126.46 3iul n LEU 263 Ca 0.01 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 3iul n LEU 263 Cb 0.47 -0.52 0.51 0.00 -2.33 0.00 0.00 43.42 41.56 3iul n LEU 263 CO 0.65 -0.37 0.92 -1.54 -1.33 0.00 0.00 177.39 175.72 3iul n SER 264 N -1.91 0.37 -4.60 -1.43 3.41 -1.23 -4.77 113.62 103.46 3iul n SER 264 Ca 0.03 0.54 -0.32 0.00 -0.26 0.00 0.00 58.87 58.86 3iul n SER 264 Cb 0.23 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 3iul n SER 264 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3iul s GLN 265 N -3.05 2.58 0.01 4.33 -0.21 -0.97 -5.09 119.66 117.26 3iul s GLN 265 Ca 0.12 -0.70 -0.30 0.00 0.02 0.00 0.00 55.36 54.49 3iul s GLN 265 Cb 0.15 -2.52 -0.05 0.00 1.00 0.00 0.00 33.01 31.59 3iul s GLN 265 CO 0.55 0.61 1.23 -1.21 -2.12 0.00 0.00 175.29 174.34 3iul s GLU 266 N -1.41 4.38 -1.54 2.91 2.02 -1.26 -3.65 118.70 120.15 3iul s GLU 266 Ca 0.17 1.76 -0.13 0.00 0.02 0.00 0.00 54.97 56.79 3iul s GLU 266 Cb -0.11 -3.45 0.09 0.00 0.10 0.00 0.00 34.13 30.75 3iul s GLU 266 CO 0.08 -0.37 0.96 0.09 0.02 0.00 0.00 175.26 176.03 3iul n ASN 267 N 4.57 -4.51 -4.77 -0.19 5.03 -1.26 -4.93 115.26 109.21 3iul n ASN 267 Ca 0.10 -0.80 -0.39 0.00 0.87 0.00 0.00 54.58 54.36 3iul n ASN 267 Cb 0.46 -3.81 -0.03 0.00 -1.02 0.00 0.00 39.78 35.38 3iul n ASN 267 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iul s ALA 268 N -3.32 3.26 0.72 5.41 0.00 -1.24 -5.03 121.76 121.56 3iul s ALA 268 Ca 0.63 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 3iul s ALA 268 Cb -0.32 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3iul s ALA 268 CO 0.84 -0.39 1.10 -1.25 0.00 0.00 0.00 175.76 176.06 3iul s PRO 269 N -2.01 2.67 0.12 0.00 0.04 -1.26 -4.83 135.00 129.74 3iul s PRO 269 Ca 0.52 0.35 -0.28 0.00 0.04 0.00 0.00 61.00 61.63 3iul s PRO 269 Cb -0.31 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 3iul s PRO 269 CO 0.39 -1.13 0.88 -0.51 0.04 0.00 0.00 177.00 176.67 3iul s LEU 270 N -5.38 4.53 0.07 -3.56 1.43 -1.26 -4.52 118.68 109.99 3iul s LEU 270 Ca 0.59 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 55.44 3iul s LEU 270 Cb -0.11 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 3iul s LEU 270 CO 0.51 0.04 -0.04 -0.76 0.23 0.00 0.00 176.35 176.32 3iul s LEU 271 N -0.39 3.30 -0.37 1.79 1.02 0.41 -4.91 118.68 119.53 3iul s LEU 271 Ca 0.42 -0.22 -0.22 0.00 0.02 0.00 0.00 54.13 54.13 3iul s LEU 271 Cb -0.23 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 43.97 3iul s LEU 271 CO 0.28 0.20 0.72 -0.89 0.02 0.00 0.00 176.35 176.68 3iul s THR 272 N -1.22 4.79 0.01 5.49 2.01 -1.26 -0.54 115.64 124.91 3iul s THR 272 Ca 0.23 0.70 -0.10 0.00 0.31 0.00 0.00 61.69 62.83 3iul s THR 272 Cb -0.11 -4.16 -0.32 0.00 0.01 0.00 0.00 72.50 67.91 3iul s THR 272 CO 0.15 -0.41 0.89 0.58 -0.69 0.00 0.00 174.62 175.13 3iul h VAL 273 N 5.74 1.18 -2.63 3.82 2.07 -0.71 -3.28 116.25 122.44 3iul h VAL 273 Ca -0.25 -2.71 -0.15 0.00 0.82 0.00 0.00 66.70 64.41 3iul h VAL 273 Cb 1.10 2.89 -0.30 0.00 -1.52 0.00 0.00 31.29 33.46 3iul h VAL 273 CO 0.88 0.84 -0.44 -1.58 0.02 0.00 0.00 177.57 177.29 3iul s GLN 274 N -2.60 0.25 0.00 1.57 0.74 -0.77 -3.47 119.66 115.37 3iul s GLN 274 Ca -0.10 0.88 0.24 0.00 0.05 0.00 0.00 55.36 56.43 3iul s GLN 274 Cb 0.05 0.13 0.49 0.00 1.10 0.00 0.00 33.01 34.78 3iul s GLN 274 CO 0.89 -0.29 1.43 0.41 -0.55 0.00 0.00 175.29 177.18 3iul n GLY 275 N 5.37 0.94 3.57 2.59 0.00 -1.26 -1.31 105.19 115.10 3iul n GLY 275 Ca -0.07 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3iul n GLY 275 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iul s ASP 276 N -1.78 3.25 -0.29 1.61 1.47 -1.26 -4.97 116.67 114.69 3iul s ASP 276 Ca 0.34 -1.48 0.11 0.00 1.18 0.00 0.00 52.55 52.70 3iul s ASP 276 Cb 0.21 0.04 0.69 0.00 -0.34 0.00 0.00 42.92 43.52 3iul s ASP 276 CO 0.31 -0.66 1.71 0.18 0.68 0.00 0.00 175.17 177.38 3iul n LEU 277 N -0.93 5.51 0.00 2.11 4.77 -1.26 -3.83 117.00 123.38 3iul n LEU 277 Ca -0.07 -3.25 0.13 0.00 -0.03 0.00 0.00 56.01 52.79 3iul n LEU 277 Cb 0.67 -0.70 0.66 0.00 -2.33 0.00 0.00 43.42 41.72 3iul n LEU 277 CO 0.42 0.83 0.94 0.47 -1.33 0.00 0.00 177.39 178.72 3iul n ASP 278 N -0.30 0.00 -3.60 -1.43 8.00 -1.26 -4.32 116.55 113.64 3iul n ASP 278 Ca 0.37 -0.15 -0.09 0.00 0.71 0.00 0.00 54.79 55.63 3iul n ASP 278 Cb 1.27 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 42.08 3iul n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iul s ALA 279 N -2.52 -1.53 -0.06 2.24 0.00 -1.26 -4.92 121.76 113.71 3iul s ALA 279 Ca 0.26 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 3iul s ALA 279 Cb 0.17 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 3iul s ALA 279 CO 0.39 -0.87 0.36 -0.51 0.00 0.00 0.00 175.76 175.13 3iul s ASP 280 N -2.78 6.67 -0.12 0.00 1.01 -1.26 -1.70 116.67 118.48 3iul s ASP 280 Ca 0.06 0.80 -0.07 0.00 0.71 0.00 0.00 52.55 54.04 3iul s ASP 280 Cb -0.02 -2.22 0.05 0.00 1.01 0.00 0.00 42.92 41.73 3iul s ASP 280 CO -0.05 0.26 0.30 0.54 0.21 0.00 0.00 175.17 176.43 3iul s VAL 281 N -0.59 -0.03 0.03 -1.27 0.11 -1.26 -2.29 120.40 115.10 3iul s VAL 281 Ca 0.21 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 3iul s VAL 281 Cb -0.15 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3iul s VAL 281 CO 0.10 0.05 -0.01 -0.94 -3.33 0.00 0.00 175.10 170.97 3iul s SER 282 N 1.14 0.32 0.12 3.54 1.04 -0.40 -4.92 113.70 114.53 3iul s SER 282 Ca -0.08 -0.69 -0.30 0.00 0.48 0.00 0.00 55.95 55.36 3iul s SER 282 Cb -0.09 0.16 -0.07 0.00 0.10 0.00 0.00 66.02 66.13 3iul s SER 282 CO -0.08 -0.45 1.17 -0.22 0.98 0.00 0.00 173.24 174.63 3iul s LEU 283 N -2.11 4.42 -0.25 2.42 2.96 -1.26 -1.10 118.68 123.76 3iul s LEU 283 Ca -0.06 2.07 -0.13 0.00 -0.22 0.00 0.00 54.13 55.80 3iul s LEU 283 Cb -0.02 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 3iul s LEU 283 CO -0.05 -0.38 -0.32 0.52 -1.32 0.00 0.00 176.35 174.81 3iul n VAL 284 N 3.20 1.36 -3.98 1.68 0.31 0.18 -4.89 118.33 116.19 3iul n VAL 284 Ca 0.06 -0.33 0.02 0.00 -0.01 0.00 0.00 64.34 64.08 3iul n VAL 284 Cb 0.46 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.55 3iul n VAL 284 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3iul n ASP 285 N -4.12 -0.97 -4.14 4.52 2.03 -1.17 -4.95 116.55 107.75 3iul n ASP 285 Ca -0.48 -1.19 -0.11 0.00 0.52 0.00 0.00 54.79 53.53 3iul n ASP 285 Cb 0.84 1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 42.63 3iul n ASP 285 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3iul s ASN 286 N -3.32 1.07 -0.17 1.67 4.22 -1.26 -0.94 114.94 116.21 3iul s ASN 286 Ca 0.25 -0.90 -0.04 0.00 -2.14 0.00 0.00 52.86 50.03 3iul s ASN 286 Cb -0.01 0.08 0.06 0.00 1.28 0.00 0.00 41.25 42.66 3iul s ASN 286 CO -0.01 -0.41 0.06 -0.75 -2.04 0.00 0.00 177.10 173.96 3iul s LYS 287 N -3.31 0.31 6.44 3.55 2.20 0.03 -4.99 119.74 123.98 3iul s LYS 287 Ca 0.07 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3iul s LYS 287 Cb 0.02 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 3iul s LYS 287 CO -0.04 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 3iul n GLY 288 N 5.18 2.71 0.50 5.54 0.00 -1.26 -1.43 105.19 116.43 3iul n GLY 288 Ca -0.08 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3iul n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iul n SER 289 N 3.13 1.47 -4.69 1.61 3.41 -1.26 -4.85 113.62 112.43 3iul n SER 289 Ca 0.00 -1.82 -0.39 0.00 -0.26 0.00 0.00 58.87 56.40 3iul n SER 289 Cb 0.00 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 3iul n SER 289 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3iul s THR 290 N -1.72 5.13 -0.07 6.66 2.01 -0.51 -0.66 115.64 126.48 3iul s THR 290 Ca 0.26 1.02 -0.10 0.00 0.31 0.00 0.00 61.69 63.18 3iul s THR 290 Cb 0.14 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 3iul s THR 290 CO 0.20 0.25 0.24 -0.76 -0.69 0.00 0.00 174.62 173.86 3iul s LEU 291 N 1.11 4.42 -0.22 4.42 1.43 0.34 -0.79 118.68 129.39 3iul s LEU 291 Ca 0.27 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 3iul s LEU 291 Cb -0.15 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3iul s LEU 291 CO 0.11 0.37 -0.06 -0.31 0.23 0.00 0.00 176.35 176.69 3iul s TYR 292 N -1.03 2.96 -0.01 0.29 2.02 -0.11 -1.79 117.35 119.67 3iul s TYR 292 Ca 0.18 -1.16 0.06 0.00 -0.37 0.00 0.00 57.07 55.78 3iul s TYR 292 Cb -0.14 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 3iul s TYR 292 CO 0.08 -0.62 -0.20 -0.51 -1.57 0.00 0.00 175.55 172.72 3iul s LEU 293 N 1.42 2.04 -0.20 -1.29 1.43 0.34 -0.65 118.68 121.78 3iul s LEU 293 Ca 0.05 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3iul s LEU 293 Cb -0.15 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 3iul s LEU 293 CO -0.05 0.24 0.12 -0.22 0.23 0.00 0.00 176.35 176.67 3iul s LEU 294 N -0.50 4.15 0.09 1.79 2.96 -0.26 -0.44 118.68 126.48 3iul s LEU 294 Ca 0.08 0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.07 3iul s LEU 294 Cb -0.08 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3iul s LEU 294 CO -0.01 0.18 0.29 0.28 -1.32 0.00 0.00 176.35 175.77 3iul s THR 295 N 0.37 0.10 -0.63 3.68 -1.32 -0.69 -1.28 115.64 115.87 3iul s THR 295 Ca 0.07 -0.85 0.10 0.00 -1.21 0.00 0.00 61.69 59.80 3iul s THR 295 Cb -0.11 -1.20 0.29 0.00 -1.51 0.00 0.00 72.50 69.98 3iul s THR 295 CO -0.02 -0.47 1.24 -0.46 -2.21 0.00 0.00 174.62 172.70 3iul n ASN 296 N -0.00 2.92 -4.66 8.08 6.94 -0.97 -1.31 115.26 126.26 3iul n ASN 296 Ca -0.16 -2.21 -0.42 0.00 -0.02 0.00 0.00 54.58 51.77 3iul n ASN 296 Cb 0.62 -0.25 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 3iul n ASN 296 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3iul s ARG 297 N -1.37 4.16 -1.75 -3.83 3.52 -1.26 -0.90 118.95 117.51 3iul s ARG 297 Ca 0.23 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 3iul s ARG 297 Cb 0.14 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 3iul s ARG 297 CO 0.12 -0.91 0.00 -0.25 -0.81 0.00 0.00 175.30 173.45 3iul n ASP 298 N 7.35 -4.71 -3.14 -2.12 8.00 -1.26 -4.89 116.55 115.77 3iul n ASP 298 Ca 0.19 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.93 3iul n ASP 298 Cb 0.42 -4.16 -0.03 0.00 -0.02 0.00 0.00 41.12 37.32 3iul n ASP 298 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iul s ALA 299 N -2.58 -1.30 0.33 2.24 0.00 -0.08 -5.03 121.76 115.34 3iul s ALA 299 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.41 3iul s ALA 299 Cb 0.00 -2.41 0.83 0.00 0.00 0.00 0.00 23.12 21.55 3iul s ALA 299 CO 0.00 -2.18 1.77 -1.35 0.00 0.00 0.00 175.76 174.01 3iul h PRO 300 N 6.25 0.64 -0.12 0.00 0.11 -1.91 0.29 132.00 137.26 3iul h PRO 300 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3iul h PRO 300 Cb 1.09 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3iul h PRO 300 CO 0.13 0.43 0.00 0.09 -0.21 0.00 0.00 178.00 178.44 3iul n ASN 301 N -4.75 1.06 -0.54 -2.05 3.02 -1.26 -4.97 115.26 105.77 3iul n ASN 301 Ca 0.24 -1.66 0.02 0.00 -0.03 0.00 0.00 54.58 53.15 3iul n ASN 301 Cb 0.65 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 3iul n ASN 301 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3iul n ARG 302 N -0.06 -1.35 -3.76 3.52 1.74 0.10 -0.87 116.66 115.98 3iul n ARG 302 Ca 0.14 1.07 -0.10 0.00 -0.77 0.00 0.00 57.85 58.19 3iul n ARG 302 Cb 0.22 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 3iul n ARG 302 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3iul s ARG 303 N -4.14 0.92 -0.21 5.56 1.70 -0.42 -4.14 118.95 118.22 3iul s ARG 303 Ca 0.00 -0.80 -0.05 0.00 -0.47 0.00 0.00 55.73 54.41 3iul s ARG 303 Cb 0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3iul s ARG 303 CO 0.00 -0.32 0.00 -1.17 -1.08 0.00 0.00 175.30 172.73 3iul s LEU 304 N -2.72 3.22 0.31 -1.89 2.96 -0.48 -1.70 118.68 118.37 3iul s LEU 304 Ca 0.03 -0.23 0.11 0.00 -0.22 0.00 0.00 54.13 53.82 3iul s LEU 304 Cb 0.03 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 3iul s LEU 304 CO -0.10 0.04 -0.15 0.68 -1.32 0.00 0.00 176.35 175.50 3iul s VAL 305 N 1.13 2.36 0.13 1.68 -7.23 0.41 -0.15 120.40 118.72 3iul s VAL 305 Ca 0.03 -2.32 0.09 0.00 -1.81 0.00 0.00 61.98 57.97 3iul s VAL 305 Cb -0.14 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3iul s VAL 305 CO 0.01 -0.32 -0.21 0.42 -0.31 0.00 0.00 175.10 174.69 3iul s THR 306 N -2.56 1.85 -0.08 5.32 -4.23 -0.02 -0.50 115.64 115.42 3iul s THR 306 Ca 0.31 -1.69 -0.26 0.00 -1.18 0.00 0.00 61.69 58.86 3iul s THR 306 Cb -0.02 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.16 3iul s THR 306 CO 0.15 -0.11 0.60 0.54 -0.54 0.00 0.00 174.62 175.27 3iul s VAL 307 N -1.39 0.01 0.23 2.29 0.11 -0.74 -1.55 120.40 119.36 3iul s VAL 307 Ca 0.11 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 3iul s VAL 307 Cb -0.09 -0.90 -0.09 0.00 -1.53 0.00 0.00 36.38 33.77 3iul s VAL 307 CO 0.05 -0.05 1.06 -0.62 -3.33 0.00 0.00 175.10 172.21 3iul s ASP 308 N -0.95 7.36 0.62 3.54 2.15 -1.26 -0.51 116.67 127.61 3iul s ASP 308 Ca -0.10 2.13 0.40 0.00 0.43 0.00 0.00 52.55 55.42 3iul s ASP 308 Cb -0.02 -2.62 2.07 0.00 -0.30 0.00 0.00 42.92 42.05 3iul s ASP 308 CO 0.07 -0.10 2.23 0.00 -0.17 0.00 0.00 175.17 177.20 3iul h ALA 309 N 4.34 1.00 0.00 3.66 0.00 -1.25 -2.30 119.26 124.71 3iul h ALA 309 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3iul h ALA 309 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3iul h ALA 309 CO 0.69 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3iul h ALA 310 N 2.00 1.00 -0.43 0.00 0.00 -1.91 -3.36 119.26 116.56 3iul h ALA 310 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3iul h ALA 310 Cb 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.76 3iul h ALA 310 CO 0.00 0.00 -0.58 -1.71 0.00 0.00 0.00 179.25 176.96 3iul n ASN 311 N -2.70 -2.55 -0.04 0.00 5.15 -0.89 -5.06 115.26 109.17 3iul n ASN 311 Ca 0.03 -3.16 0.05 0.00 -0.60 0.00 0.00 54.58 50.90 3iul n ASN 311 Cb 0.38 1.47 0.29 0.00 -0.53 0.00 0.00 39.78 41.39 3iul n ASN 311 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3iul n PRO 312 N 1.82 1.05 -1.32 1.20 -0.04 -1.03 -4.56 135.00 132.11 3iul n PRO 312 Ca 0.12 -0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 3iul n PRO 312 Cb 0.61 -1.16 0.11 0.00 -0.04 0.00 0.00 33.50 33.01 3iul n PRO 312 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3iul s GLY 313 N -1.30 2.30 0.41 0.55 0.00 -1.24 -4.50 107.32 103.54 3iul s GLY 313 Ca 0.15 0.88 0.20 0.00 0.00 0.00 0.00 44.72 45.96 3iul s GLY 313 CO 0.12 1.30 1.79 -2.55 0.00 0.00 0.00 173.10 173.76 3iul h PRO 314 N -0.50 0.36 0.00 2.90 0.11 -1.88 0.10 132.00 133.09 3iul h PRO 314 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iul h PRO 314 Cb 1.30 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iul h PRO 314 CO 0.48 0.24 -0.00 0.00 -0.21 0.00 0.00 178.00 178.51 3iul h ALA 315 N 1.60 1.01 -0.02 -0.75 0.00 -1.93 -2.35 119.26 116.82 3iul h ALA 315 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3iul h ALA 315 Cb 1.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3iul h ALA 315 CO -0.25 0.00 -0.09 0.72 0.00 0.00 0.00 179.25 179.64 3iul n HIS 316 N -3.11 0.00 -2.11 0.00 8.25 0.35 -4.97 115.22 113.63 3iul n HIS 316 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3iul n HIS 316 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3iul n HIS 316 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3iul s TRP 317 N -1.84 3.12 -0.09 4.41 0.51 -0.89 -4.75 118.94 119.41 3iul s TRP 317 Ca 0.23 1.19 0.03 0.00 -2.12 0.00 0.00 56.10 55.43 3iul s TRP 317 Cb 0.17 -3.70 0.01 0.00 -0.81 0.00 0.00 33.47 29.13 3iul s TRP 317 CO 0.31 -2.18 -0.20 0.50 -0.51 0.00 0.00 176.95 174.87 3iul s ARG 318 N -0.60 2.55 0.32 4.98 3.52 -0.60 -4.95 118.95 124.17 3iul s ARG 318 Ca 0.56 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 55.16 3iul s ARG 318 Cb -0.39 -1.98 -0.11 0.00 -1.56 0.00 0.00 34.95 30.91 3iul s ARG 318 CO 0.43 0.11 1.57 -0.51 -0.81 0.00 0.00 175.30 176.10 3iul s ASP 319 N 0.48 6.34 -0.13 -2.12 1.01 -1.26 -0.84 116.67 120.15 3iul s ASP 319 Ca -0.17 3.00 -0.05 0.00 0.71 0.00 0.00 52.55 56.04 3iul s ASP 319 Cb -0.17 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.05 3iul s ASP 319 CO 0.07 -0.92 -0.16 -0.11 0.21 0.00 0.00 175.17 174.25 3iul n LEU 320 N 1.60 1.33 -3.92 1.23 7.94 0.79 -4.82 117.00 121.15 3iul n LEU 320 Ca 0.06 0.12 -0.31 0.00 -1.11 0.00 0.00 56.01 54.78 3iul n LEU 320 Cb 0.38 -0.41 -0.15 0.00 0.53 0.00 0.00 43.42 43.77 3iul n LEU 320 CO 0.64 0.36 -0.32 -0.63 -1.11 0.00 0.00 177.39 176.33 3iul s ILE 321 N -2.25 1.83 0.79 1.96 1.01 -0.54 -4.84 121.20 119.16 3iul s ILE 321 Ca -0.19 -2.11 -0.14 0.00 0.00 0.00 0.00 60.65 58.22 3iul s ILE 321 Cb 0.07 -2.35 0.07 0.00 0.01 0.00 0.00 42.46 40.26 3iul s ILE 321 CO 0.25 -0.64 1.20 -2.65 0.00 0.00 0.00 174.94 173.10 3iul n PRO 322 N 4.36 0.27 -1.83 2.79 -0.02 -1.26 -1.38 135.00 137.93 3iul n PRO 322 Ca 0.02 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.27 3iul n PRO 322 Cb 0.41 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.47 3iul n PRO 322 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3iul s GLU 323 N -4.02 3.73 0.31 -0.52 2.12 -1.26 -4.83 118.70 114.23 3iul s GLU 323 Ca 0.74 2.39 0.01 0.00 0.36 0.00 0.00 54.97 58.46 3iul s GLU 323 Cb -0.30 -2.67 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 3iul s GLU 323 CO 0.50 -0.77 0.02 0.54 -0.54 0.00 0.00 175.26 175.01 3iul n ARG 324 N -0.15 1.09 0.12 4.30 1.74 -1.26 -5.01 116.66 117.50 3iul n ARG 324 Ca 0.05 -2.30 0.12 0.00 -0.77 0.00 0.00 57.85 54.95 3iul n ARG 324 Cb 0.42 0.77 0.47 0.00 -1.02 0.00 0.00 32.46 33.10 3iul n ARG 324 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3iul n GLN 325 N -0.75 0.22 -4.21 5.56 1.13 -1.26 -4.72 117.38 113.36 3iul n GLN 325 Ca -0.11 0.36 -0.32 0.00 -1.94 0.00 0.00 57.00 54.99 3iul n GLN 325 Cb 0.40 -1.86 -0.08 0.00 0.11 0.00 0.00 30.24 28.81 3iul n GLN 325 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3iul s GLN 326 N -3.25 2.77 0.16 -1.09 1.11 -1.26 -4.82 119.66 113.28 3iul s GLN 326 Ca 0.06 -0.66 -0.31 0.00 0.01 0.00 0.00 55.36 54.46 3iul s GLN 326 Cb 0.10 -2.66 -0.09 0.00 -1.01 0.00 0.00 33.01 29.35 3iul s GLN 326 CO 0.46 0.60 1.45 0.08 0.01 0.00 0.00 175.29 177.89 3iul s VAL 327 N -1.18 2.97 -0.07 1.09 1.01 -1.26 -4.85 120.40 118.11 3iul s VAL 327 Ca 0.22 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 3iul s VAL 327 Cb -0.12 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3iul s VAL 327 CO 0.14 0.07 0.31 -0.22 0.00 0.00 0.00 175.10 175.39 3iul s LEU 328 N 0.81 4.40 -0.05 3.92 2.96 -0.05 -4.43 118.68 126.25 3iul s LEU 328 Ca 0.65 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 3iul s LEU 328 Cb -0.40 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 43.91 3iul s LEU 328 CO 0.33 0.30 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.65 3iul s THR 329 N -0.72 1.08 -0.06 3.68 2.01 -0.38 -4.85 115.64 116.39 3iul s THR 329 Ca 0.20 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.76 3iul s THR 329 Cb -0.15 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3iul s THR 329 CO 0.09 0.33 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.47 3iul s VAL 330 N 0.44 2.62 0.24 3.82 1.01 -1.26 0.13 120.40 127.39 3iul s VAL 330 Ca -0.10 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.10 3iul s VAL 330 Cb -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3iul s VAL 330 CO 0.02 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.56 3iul s HIS 331 N -0.32 1.93 0.02 5.22 3.76 -0.20 -4.96 115.29 120.74 3iul s HIS 331 Ca 0.02 -0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3iul s HIS 331 Cb -0.13 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.61 3iul s HIS 331 CO 0.02 0.44 -0.01 -1.54 -0.85 0.00 0.00 174.74 172.80 3iul s SER 332 N -3.40 0.25 0.00 1.40 1.04 -1.24 -0.05 113.70 111.70 3iul s SER 332 Ca 0.26 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3iul s SER 332 Cb -0.01 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3iul s SER 332 CO 0.10 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3iul n GLY 333 N 1.37 1.62 2.42 7.32 0.00 -0.66 -1.07 105.19 116.20 3iul n GLY 333 Ca -0.22 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 3iul n GLY 333 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iul n SER 334 N 0.00 -5.41 0.00 1.61 7.64 -0.05 -1.54 113.62 115.87 3iul n SER 334 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3iul n SER 334 Cb 0.00 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 58.62 3iul n SER 334 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iul n GLY 335 N -0.84 0.50 3.32 0.23 0.00 -1.20 -4.93 105.19 102.28 3iul n GLY 335 Ca -0.22 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 3iul n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iul s TYR 336 N -2.00 1.57 -0.04 1.61 2.02 -0.59 -4.41 117.35 115.51 3iul s TYR 336 Ca 0.00 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.01 3iul s TYR 336 Cb 0.00 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 3iul s TYR 336 CO 0.00 0.16 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.47 3iul s LEU 337 N -3.29 2.65 -0.21 -1.29 1.43 0.16 -1.65 118.68 116.47 3iul s LEU 337 Ca 0.23 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3iul s LEU 337 Cb 0.03 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.76 3iul s LEU 337 CO 0.06 0.33 -0.12 -0.36 0.23 0.00 0.00 176.35 176.49 3iul s PHE 338 N -0.74 2.73 -0.29 0.29 0.08 0.93 -0.11 117.98 120.88 3iul s PHE 338 Ca 0.12 -1.81 -0.18 0.00 0.12 0.00 0.00 56.93 55.17 3iul s PHE 338 Cb -0.11 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3iul s PHE 338 CO 0.01 -0.80 0.53 0.00 -0.10 0.00 0.00 175.22 174.86 3iul s ALA 339 N 1.29 3.56 -0.15 5.36 0.00 0.65 -1.04 121.76 131.43 3iul s ALA 339 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 3iul s ALA 339 Cb -0.17 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3iul s ALA 339 CO -0.08 -0.89 0.03 -2.00 0.00 0.00 0.00 175.76 172.82 3iul s GLU 340 N 2.38 3.70 0.00 0.00 2.12 0.12 -0.79 118.70 126.22 3iul s GLU 340 Ca 0.21 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.15 3iul s GLU 340 Cb -0.15 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3iul s GLU 340 CO 0.10 0.37 0.00 0.66 -0.54 0.00 0.00 175.26 175.85 3iul n TYR 341 N 3.21 0.00 0.00 5.30 4.01 -0.56 -1.25 117.16 127.87 3iul n TYR 341 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3iul n TYR 341 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3iul n TYR 341 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3iul n VAL 343 N 0.00 0.00 -3.75 -0.72 0.31 0.94 -1.55 118.33 113.56 3iul n VAL 343 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 3iul n VAL 343 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3iul n VAL 343 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3iul n ASP 344 N 0.00 -1.42 0.00 4.52 8.00 -1.26 -1.99 116.55 124.40 3iul n ASP 344 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3iul n ASP 344 Cb 0.00 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 3iul n ASP 344 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iul n ALA 345 N -4.27 0.00 -2.29 2.24 0.00 -1.26 -4.99 120.51 109.95 3iul n ALA 345 Ca -0.28 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 3iul n ALA 345 Cb 0.67 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 3iul n ALA 345 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iul s THR 346 N -1.80 1.24 0.43 0.00 -4.23 -0.84 -4.30 115.64 106.14 3iul s THR 346 Ca 0.00 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.20 3iul s THR 346 Cb 0.00 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 3iul s THR 346 CO 0.00 -0.63 1.07 0.00 -0.54 0.00 0.00 174.62 174.53 3iul s ALA 347 N -3.28 3.02 0.00 3.99 0.00 -0.16 -0.04 121.76 125.28 3iul s ALA 347 Ca 0.20 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 3iul s ALA 347 Cb 0.03 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 3iul s ALA 347 CO 0.03 -0.33 0.01 1.03 0.00 0.00 0.00 175.76 176.50 3iul s ARG 348 N -2.68 0.08 -0.05 0.00 1.81 -0.59 -4.73 118.95 112.78 3iul s ARG 348 Ca 0.61 -0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.52 3iul s ARG 348 Cb -0.22 0.03 0.02 0.00 -0.45 0.00 0.00 34.95 34.33 3iul s ARG 348 CO 0.28 -0.01 -0.05 0.08 -0.68 0.00 0.00 175.30 174.91 3iul s VAL 349 N -0.30 0.60 -0.08 3.52 1.01 -1.26 -1.49 120.40 122.40 3iul s VAL 349 Ca -0.03 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3iul s VAL 349 Cb -0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3iul s VAL 349 CO -0.00 0.25 -0.18 -1.61 0.00 0.00 0.00 175.10 173.56 3iul s GLU 350 N 1.04 2.85 -0.20 2.72 2.02 0.03 0.04 118.70 127.20 3iul s GLU 350 Ca -0.09 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.00 3iul s GLU 350 Cb -0.14 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 3iul s GLU 350 CO -0.01 0.38 0.25 -1.14 0.02 0.00 0.00 175.26 174.77 3iul s GLN 351 N -0.11 4.16 0.15 1.61 0.74 -0.03 -0.25 119.66 125.92 3iul s GLN 351 Ca -0.03 -0.05 0.08 0.00 0.05 0.00 0.00 55.36 55.41 3iul s GLN 351 Cb -0.14 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 3iul s GLN 351 CO 0.04 0.11 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.65 3iul s PHE 352 N 0.89 1.72 0.53 1.67 0.08 0.85 0.25 117.98 123.97 3iul s PHE 352 Ca 0.13 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.72 3iul s PHE 352 Cb -0.13 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3iul s PHE 352 CO 0.04 0.28 0.75 0.16 -0.10 0.00 0.00 175.22 176.34 3iul s ASP 353 N -2.55 5.33 0.00 1.36 1.47 -0.77 -0.66 116.67 120.85 3iul s ASP 353 Ca 0.13 -0.07 0.12 0.00 1.18 0.00 0.00 52.55 53.91 3iul s ASP 353 Cb -0.06 -0.85 0.70 0.00 -0.34 0.00 0.00 42.92 42.37 3iul s ASP 353 CO 0.06 -1.09 1.12 -1.22 0.68 0.00 0.00 175.17 174.72 3iul n TYR 354 N -2.27 0.00 0.82 2.11 4.02 -1.26 -0.92 117.16 119.65 3iul n TYR 354 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.08 3iul n TYR 354 Cb 0.60 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 40.03 3iul n TYR 354 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3iul n GLU 355 N -0.94 2.26 -0.61 -0.72 4.71 -1.26 -4.96 120.64 119.12 3iul n GLU 355 Ca 0.09 -1.96 0.00 0.00 -0.01 0.00 0.00 57.16 55.28 3iul n GLU 355 Cb 0.04 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 3iul n GLU 355 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3iul n GLY 356 N 1.33 0.75 3.70 0.62 0.00 -0.10 -5.04 105.19 106.44 3iul n GLY 356 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3iul n GLY 356 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iul s LYS 357 N -0.39 4.36 0.02 1.61 2.47 -1.26 -4.85 119.74 121.70 3iul s LYS 357 Ca 0.00 0.80 -0.30 0.00 -1.56 0.00 0.00 55.97 54.90 3iul s LYS 357 Cb 0.00 -3.49 -0.07 0.00 -1.46 0.00 0.00 37.83 32.81 3iul s LYS 357 CO 0.00 -0.05 1.54 0.50 0.16 0.00 0.00 175.35 177.49 3iul s ARG 358 N 1.24 4.23 -0.19 4.03 3.52 -1.26 -1.85 118.95 128.67 3iul s ARG 358 Ca 0.34 2.15 -0.22 0.00 -0.13 0.00 0.00 55.73 57.87 3iul s ARG 358 Cb -0.17 -3.64 -0.21 0.00 -1.56 0.00 0.00 34.95 29.38 3iul s ARG 358 CO 0.15 -0.68 0.32 0.28 -0.81 0.00 0.00 175.30 174.56 3iul h VAL 359 N 4.95 1.06 -1.64 7.11 2.07 -0.54 -3.48 116.25 125.77 3iul h VAL 359 Ca -0.40 -2.22 0.27 0.00 0.82 0.00 0.00 66.70 65.17 3iul h VAL 359 Cb 1.19 2.43 -0.14 0.00 -1.52 0.00 0.00 31.29 33.25 3iul h VAL 359 CO 0.92 0.38 0.75 0.00 0.02 0.00 0.00 177.57 179.64 3iul s ARG 360 N -2.35 0.51 -0.14 1.57 1.70 -1.14 -5.02 118.95 114.08 3iul s ARG 360 Ca -0.27 -0.25 -0.12 0.00 -0.47 0.00 0.00 55.73 54.62 3iul s ARG 360 Cb 0.04 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 3iul s ARG 360 CO 0.62 -0.23 0.26 -2.00 -1.08 0.00 0.00 175.30 172.87 3iul s GLU 361 N -2.59 4.09 0.23 3.89 2.12 -1.26 -0.86 118.70 124.32 3iul s GLU 361 Ca 0.12 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.20 3iul s GLU 361 Cb 0.02 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.95 3iul s GLU 361 CO -0.04 0.38 1.31 0.08 -0.54 0.00 0.00 175.26 176.45 3iul s VAL 362 N 0.06 3.09 -1.24 3.70 1.01 0.11 -4.92 120.40 122.20 3iul s VAL 362 Ca 0.16 0.94 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 3iul s VAL 362 Cb -0.13 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.75 3iul s VAL 362 CO 0.04 0.16 1.61 0.00 0.00 0.00 0.00 175.10 176.91 3iul s ALA 363 N -0.19 3.48 0.62 5.51 0.00 -1.26 -4.64 121.76 125.28 3iul s ALA 363 Ca 0.55 -3.00 -0.17 0.00 0.00 0.00 0.00 51.96 49.34 3iul s ALA 363 Cb -0.37 -4.46 -0.02 0.00 0.00 0.00 0.00 23.12 18.26 3iul s ALA 363 CO 0.41 -3.16 1.15 -0.51 0.00 0.00 0.00 175.76 173.66 3iul s LEU 364 N 3.44 3.55 0.00 0.00 1.43 -1.26 -4.89 118.68 120.95 3iul s LEU 364 Ca 0.49 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.78 3iul s LEU 364 Cb 0.01 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.71 3iul s LEU 364 CO 0.04 -1.58 0.26 -2.65 0.23 0.00 0.00 176.35 172.65 3iul n PRO 365 N -1.94 0.10 -0.41 1.29 -0.02 -1.26 -4.89 135.00 127.87 3iul n PRO 365 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3iul n PRO 365 Cb 0.51 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 3iul n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iul n GLY 366 N -0.50 0.83 3.60 -1.23 0.00 -1.26 -5.05 105.19 101.57 3iul n GLY 366 Ca 0.01 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 3iul n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iul s LEU 367 N 0.00 4.03 0.00 0.99 1.43 -1.26 -4.96 118.68 118.92 3iul s LEU 367 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3iul s LEU 367 Cb 0.00 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3iul s LEU 367 CO 0.00 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3iul n GLY 368 N 4.91 1.26 3.38 -3.19 0.00 -1.26 -4.78 105.19 105.51 3iul n GLY 368 Ca -0.13 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3iul n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iul s SER 369 N 2.00 3.42 0.36 1.61 0.01 0.05 -0.99 113.70 120.16 3iul s SER 369 Ca 0.00 -0.44 0.09 0.00 1.31 0.00 0.00 55.95 56.91 3iul s SER 369 Cb 0.00 -0.48 -0.07 0.00 0.21 0.00 0.00 66.02 65.68 3iul s SER 369 CO 0.00 0.30 -0.07 0.68 0.41 0.00 0.00 173.24 174.56 3iul s VAL 370 N -0.75 2.18 0.11 3.43 -7.23 -1.26 -2.19 120.40 114.70 3iul s VAL 370 Ca 0.12 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 3iul s VAL 370 Cb -0.10 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.11 3iul s VAL 370 CO 0.01 -0.15 0.30 -0.94 -0.31 0.00 0.00 175.10 174.02 3iul s SER 371 N -3.64 -0.05 0.00 4.85 1.04 -0.79 -4.94 113.70 110.17 3iul s SER 371 Ca 0.33 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3iul s SER 371 Cb 0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3iul s SER 371 CO 0.17 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.20 3iul n GLY 372 N -0.15 0.03 2.30 7.32 0.00 -1.26 -0.52 105.19 112.91 3iul n GLY 372 Ca -0.15 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 3iul n GLY 372 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iul n PHE 373 N 0.03 -0.09 -4.20 1.61 3.72 -0.68 -4.95 117.46 112.89 3iul n PHE 373 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3iul n PHE 373 Cb 0.00 -2.18 -0.11 0.00 -0.94 0.00 0.00 39.48 36.25 3iul n PHE 373 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iul s ASN 374 N -2.81 5.18 0.30 4.37 0.02 -1.26 -3.62 114.94 117.12 3iul s ASN 374 Ca 0.00 -0.04 -0.19 0.00 -1.02 0.00 0.00 52.86 51.61 3iul s ASN 374 Cb 0.00 -1.87 0.04 0.00 0.02 0.00 0.00 41.25 39.44 3iul s ASN 374 CO 0.00 0.16 0.79 -0.83 0.02 0.00 0.00 177.10 177.24 3iul s GLY 375 N 0.40 0.09 0.62 0.66 0.00 -0.23 -4.77 107.32 104.09 3iul s GLY 375 Ca -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 44.72 44.21 3iul s GLY 375 CO 0.02 -0.02 0.93 0.54 0.00 0.00 0.00 173.10 174.57 3iul s LYS 376 N -3.14 2.75 0.27 2.90 1.02 -1.26 -4.04 119.74 118.24 3iul s LYS 376 Ca 0.13 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.08 3iul s LYS 376 Cb -0.05 -2.24 0.58 0.00 -0.52 0.00 0.00 37.83 35.60 3iul s LYS 376 CO 0.08 -0.83 1.77 0.45 -0.92 0.00 0.00 175.35 175.90 3iul h HIS 377 N -0.29 0.85 -0.47 3.18 3.86 -1.94 0.02 115.15 120.36 3iul h HIS 377 Ca -0.45 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3iul h HIS 377 Cb 1.27 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3iul h HIS 377 CO 0.44 0.21 0.00 -0.40 0.86 0.00 0.00 177.93 179.04 3iul n ASP 378 N -4.84 2.79 -4.72 2.45 5.75 -1.26 -3.21 116.55 113.51 3iul n ASP 378 Ca 0.19 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.59 3iul n ASP 378 Cb 0.46 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3iul n ASP 378 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3iul s ASP 379 N -1.15 6.55 0.46 -1.12 1.01 -0.96 -4.87 116.67 116.59 3iul s ASP 379 Ca 0.36 2.67 0.26 0.00 0.71 0.00 0.00 52.55 56.55 3iul s ASP 379 Cb 0.19 -2.60 0.97 0.00 1.01 0.00 0.00 42.92 42.49 3iul s ASP 379 CO 0.26 -0.85 1.84 1.55 0.21 0.00 0.00 175.17 178.18 3iul h PRO 380 N 6.63 0.00 -3.51 8.23 0.13 -1.93 -3.41 132.00 138.14 3iul h PRO 380 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 3iul h PRO 380 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 3iul h PRO 380 CO 0.91 0.17 -0.17 0.00 -0.23 0.00 0.00 178.00 178.68 3iul s ALA 381 N -3.61 -0.71 0.27 -0.56 0.00 -1.26 -4.63 121.76 111.25 3iul s ALA 381 Ca 0.01 -0.22 0.12 0.00 0.00 0.00 0.00 51.96 51.87 3iul s ALA 381 Cb 0.10 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 3iul s ALA 381 CO 0.62 -0.60 -0.17 -0.51 0.00 0.00 0.00 175.76 175.10 3iul s LEU 382 N -2.79 2.67 0.07 0.00 1.43 -0.62 -4.97 118.68 114.47 3iul s LEU 382 Ca 0.03 -0.96 0.07 0.00 -1.03 0.00 0.00 54.13 52.24 3iul s LEU 382 Cb 0.03 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3iul s LEU 382 CO -0.11 0.04 -0.19 -0.31 0.23 0.00 0.00 176.35 176.01 3iul s TYR 383 N -2.41 1.61 0.04 0.29 2.02 -1.26 0.29 117.35 117.92 3iul s TYR 383 Ca 0.29 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.54 3iul s TYR 383 Cb -0.05 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 3iul s TYR 383 CO 0.15 0.12 0.11 -0.59 -1.57 0.00 0.00 175.55 173.77 3iul s PHE 384 N -1.00 0.18 0.12 2.71 -0.12 -0.73 -1.68 117.98 117.45 3iul s PHE 384 Ca 0.05 -0.47 0.05 0.00 -0.05 0.00 0.00 56.93 56.51 3iul s PHE 384 Cb -0.09 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3iul s PHE 384 CO 0.03 -0.38 0.04 0.20 -0.05 0.00 0.00 175.22 175.06 3iul s GLY 385 N -2.12 1.87 -0.02 1.99 0.00 0.32 -0.67 107.32 108.69 3iul s GLY 385 Ca -0.05 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 3iul s GLY 385 CO -0.04 -1.15 0.14 -0.12 0.00 0.00 0.00 173.10 171.93 3iul s PHE 386 N -1.48 -0.03 0.05 1.90 5.36 -0.37 -1.89 117.98 121.52 3iul s PHE 386 Ca 0.28 0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 56.03 3iul s PHE 386 Cb -0.11 -0.01 0.09 0.00 -0.34 0.00 0.00 43.02 42.65 3iul s PHE 386 CO 0.20 -0.21 0.89 -1.83 -1.46 0.00 0.00 175.22 172.80 3iul s GLU 387 N -0.87 0.95 0.19 10.12 -1.05 -0.93 -1.18 118.70 125.93 3iul s GLU 387 Ca -0.10 -0.40 -0.07 0.00 -0.15 0.00 0.00 54.97 54.25 3iul s GLU 387 Cb -0.05 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 3iul s GLU 387 CO 0.01 -0.42 0.38 0.27 0.95 0.00 0.00 175.26 176.45 3iul n ASN 388 N -0.31 -1.10 0.18 0.83 0.23 -0.76 -0.77 115.26 113.56 3iul n ASN 388 Ca -0.09 -1.78 0.12 0.00 -0.53 0.00 0.00 54.58 52.31 3iul n ASN 388 Cb 0.62 1.84 0.67 0.00 -2.08 0.00 0.00 39.78 40.83 3iul n ASN 388 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 3iul h TYR 389 N 1.48 0.00 -0.01 -2.53 0.05 -1.88 -2.69 116.97 111.40 3iul h TYR 389 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3iul h TYR 389 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3iul h TYR 389 CO 0.00 0.00 -0.73 0.00 -1.05 0.00 0.00 178.16 176.38 3iul n ALA 390 N -2.56 4.12 -3.90 3.88 0.00 -1.26 -4.67 120.51 116.13 3iul n ALA 390 Ca 0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 3iul n ALA 390 Cb 0.26 -0.71 -0.17 0.00 0.00 0.00 0.00 19.45 18.83 3iul n ALA 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3iul s GLN 391 N -2.63 1.78 0.72 0.00 0.74 -1.02 -4.76 119.66 114.49 3iul s GLN 391 Ca 0.11 -0.36 -0.13 0.00 0.05 0.00 0.00 55.36 55.03 3iul s GLN 391 Cb 0.15 -1.73 0.03 0.00 1.10 0.00 0.00 33.01 32.57 3iul s GLN 391 CO 0.69 -0.23 1.11 -1.25 -0.55 0.00 0.00 175.29 175.06 3iul s PRO 392 N 1.54 2.45 -0.39 1.67 0.04 -1.26 -1.83 135.00 137.22 3iul s PRO 392 Ca 0.03 1.31 -0.43 0.00 0.04 0.00 0.00 61.00 61.94 3iul s PRO 392 Cb -0.13 -1.91 -0.18 0.00 0.04 0.00 0.00 34.50 32.32 3iul s PRO 392 CO -0.08 -1.51 1.69 -2.30 0.04 0.00 0.00 177.00 174.84 3iul n PRO 393 N -3.01 0.61 -4.54 0.56 -0.02 -1.26 -4.71 135.00 122.62 3iul n PRO 393 Ca 0.10 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 3iul n PRO 393 Cb 0.52 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 3iul n PRO 393 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iul s THR 394 N 3.34 1.12 -0.15 3.45 -4.23 -0.32 -3.92 115.64 114.92 3iul s THR 394 Ca 1.02 -0.75 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 3iul s THR 394 Cb -1.27 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 3iul s THR 394 CO 0.73 0.21 0.12 -0.76 -0.54 0.00 0.00 174.62 174.38 3iul s LEU 395 N -0.62 4.22 0.19 4.79 1.43 -0.54 -1.24 118.68 126.90 3iul s LEU 395 Ca 0.04 0.32 0.10 0.00 -1.03 0.00 0.00 54.13 53.56 3iul s LEU 395 Cb -0.06 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3iul s LEU 395 CO 0.00 0.30 -0.20 -0.31 0.23 0.00 0.00 176.35 176.37 3iul s TYR 396 N -0.37 1.98 -0.13 0.29 2.02 0.16 -0.17 117.35 121.13 3iul s TYR 396 Ca 0.11 -0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3iul s TYR 396 Cb -0.12 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 3iul s TYR 396 CO 0.01 0.41 -0.05 0.50 -1.57 0.00 0.00 175.55 174.86 3iul s ARG 397 N -2.88 3.41 -0.16 -0.62 3.52 0.81 -1.77 118.95 121.26 3iul s ARG 397 Ca 0.19 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3iul s ARG 397 Cb -0.06 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3iul s ARG 397 CO 0.08 0.36 -0.15 0.12 -0.81 0.00 0.00 175.30 174.90 3iul s PHE 398 N 0.02 2.79 -0.51 5.12 5.36 0.14 -1.40 117.98 129.51 3iul s PHE 398 Ca -0.00 -1.13 -0.22 0.00 -0.96 0.00 0.00 56.93 54.62 3iul s PHE 398 Cb -0.13 -1.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.68 3iul s PHE 398 CO 0.03 -0.54 0.76 -1.21 -1.46 0.00 0.00 175.22 172.80 3iul s GLU 399 N 0.94 3.24 0.28 10.12 0.41 0.09 -1.58 118.70 132.21 3iul s GLU 399 Ca -0.03 -0.52 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 3iul s GLU 399 Cb -0.15 -4.05 0.59 0.00 -1.78 0.00 0.00 34.13 28.74 3iul s GLU 399 CO -0.02 -1.28 1.81 -1.35 -0.49 0.00 0.00 175.26 173.92 3iul h PRO 400 N 9.09 0.84 0.53 0.39 0.11 -1.88 0.71 132.00 141.79 3iul h PRO 400 Ca -0.26 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3iul h PRO 400 Cb 1.09 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.01 3iul h PRO 400 CO 1.00 0.55 -0.25 0.87 -0.21 0.00 0.00 178.00 179.96 3iul h LYS 401 N 0.86 -0.68 0.00 1.05 1.57 -1.92 -3.34 116.57 114.11 3iul h LYS 401 Ca 0.51 0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 59.17 3iul h LYS 401 Cb 0.62 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3iul h LYS 401 CO -0.31 -0.37 -0.94 0.66 -0.57 0.00 0.00 179.45 177.92 3iul h SER 402 N -1.00 0.00 0.00 0.86 4.64 -1.99 -3.48 113.55 112.59 3iul h SER 402 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3iul h SER 402 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3iul h SER 402 CO 0.12 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 3iul n GLY 403 N 1.32 0.72 3.77 -0.77 0.00 0.25 -5.02 105.19 105.46 3iul n GLY 403 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3iul n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iul s ALA 404 N -2.45 3.43 -0.02 4.61 0.00 -1.21 -4.75 121.76 121.37 3iul s ALA 404 Ca 0.00 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.27 3iul s ALA 404 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3iul s ALA 404 CO 0.00 -0.69 -0.20 0.42 0.00 0.00 0.00 175.76 175.29 3iul s ILE 405 N -1.18 1.57 0.01 0.00 1.01 -1.26 -0.73 121.20 120.62 3iul s ILE 405 Ca 0.51 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3iul s ILE 405 Cb -0.39 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3iul s ILE 405 CO 0.52 0.45 -0.01 -0.94 0.00 0.00 0.00 174.94 174.95 3iul s SER 406 N -0.33 0.15 0.20 3.58 1.04 -0.49 -4.98 113.70 112.86 3iul s SER 406 Ca 0.04 -0.31 -0.31 0.00 0.48 0.00 0.00 55.95 55.85 3iul s SER 406 Cb -0.09 0.08 -0.10 0.00 0.10 0.00 0.00 66.02 66.01 3iul s SER 406 CO 0.00 -0.20 1.47 -0.22 0.98 0.00 0.00 173.24 175.27 3iul s LEU 407 N -0.96 4.38 -0.20 2.42 2.96 -1.26 -0.13 118.68 125.88 3iul s LEU 407 Ca -0.11 2.58 -0.08 0.00 -0.22 0.00 0.00 54.13 56.31 3iul s LEU 407 Cb -0.07 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 3iul s LEU 407 CO -0.01 -0.73 -0.24 0.00 -1.32 0.00 0.00 176.35 174.06 3iul n TYR 408 N 3.18 0.00 -3.62 5.38 9.36 0.76 -4.77 117.16 127.44 3iul n TYR 408 Ca 0.10 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.14 3iul n TYR 408 Cb 0.40 -0.73 -0.15 0.00 -0.63 0.00 0.00 39.34 38.23 3iul n TYR 408 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3iul s ARG 409 N -2.37 0.07 0.66 2.98 1.81 -0.76 -5.00 118.95 116.34 3iul s ARG 409 Ca -0.28 0.43 -0.12 0.00 -1.72 0.00 0.00 55.73 54.05 3iul s ARG 409 Cb 0.10 -0.61 -0.01 0.00 -0.45 0.00 0.00 34.95 33.97 3iul s ARG 409 CO 0.37 -0.41 1.05 0.00 -0.68 0.00 0.00 175.30 175.63 3iul s ALA 410 N 2.29 2.82 0.43 2.13 0.00 -1.26 -1.46 121.76 126.70 3iul s ALA 410 Ca 0.04 0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 3iul s ALA 410 Cb -0.13 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 3iul s ALA 410 CO -0.07 -1.00 1.11 0.45 0.00 0.00 0.00 175.76 176.24 3iul s SER 411 N -3.77 6.45 0.00 0.00 0.15 -1.25 -4.90 113.70 110.38 3iul s SER 411 Ca 0.58 2.16 0.28 0.00 0.70 0.00 0.00 55.95 59.67 3iul s SER 411 Cb -0.13 -2.59 1.01 0.00 -1.71 0.00 0.00 66.02 62.60 3iul s SER 411 CO 0.52 -0.71 1.73 0.00 1.20 0.00 0.00 173.24 175.98 3iul n ALA 412 N -0.31 2.91 -1.71 5.45 0.00 -1.26 -4.89 120.51 120.70 3iul n ALA 412 Ca 0.06 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 3iul n ALA 412 Cb 0.49 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3iul n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iul n ALA 413 N -0.93 1.81 -0.46 0.00 0.00 -1.26 -4.79 120.51 114.88 3iul n ALA 413 Ca 0.13 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 3iul n ALA 413 Cb 0.31 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 3iul n ALA 413 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3iul n PRO 414 N 2.14 1.10 -3.76 0.00 -0.04 -1.26 -4.75 135.00 128.43 3iul n PRO 414 Ca 0.10 -0.72 -0.16 0.00 -0.04 0.00 0.00 63.50 62.69 3iul n PRO 414 Cb 0.34 -1.95 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 3iul n PRO 414 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iul s PHE 415 N 2.82 0.03 -0.55 0.54 0.08 -1.26 -5.08 117.98 114.55 3iul s PHE 415 Ca 0.28 0.16 -0.26 0.00 0.12 0.00 0.00 56.93 57.24 3iul s PHE 415 Cb 0.11 -0.27 0.04 0.00 -0.57 0.00 0.00 43.02 42.33 3iul s PHE 415 CO -0.01 -0.11 1.02 0.15 -0.10 0.00 0.00 175.22 176.18 3iul s LYS 416 N 1.23 3.41 0.43 0.44 1.02 -1.26 -4.92 119.74 120.09 3iul s LYS 416 Ca -0.07 -0.06 0.22 0.00 0.02 0.00 0.00 55.97 56.07 3iul s LYS 416 Cb -0.13 -4.03 1.19 0.00 -0.52 0.00 0.00 37.83 34.34 3iul s LYS 416 CO -0.03 -1.53 1.79 -1.35 -0.92 0.00 0.00 175.35 173.31 3iul h PRO 417 N 9.37 0.31 0.00 -1.68 0.11 -1.95 0.16 132.00 138.32 3iul h PRO 417 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iul h PRO 417 Cb 1.07 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3iul h PRO 417 CO 1.12 0.20 0.00 1.05 -0.21 0.00 0.00 178.00 180.16 3iul h GLU 418 N 0.32 0.00 -0.00 1.05 9.09 -1.92 -2.55 114.58 120.57 3iul h GLU 418 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 3iul h GLU 418 Cb 1.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.71 3iul h GLU 418 CO -0.24 0.00 -0.10 -0.25 0.05 0.00 0.00 179.01 178.48 3iul n ASP 419 N -2.52 0.16 -4.42 3.06 8.00 0.57 -4.85 116.55 116.55 3iul n ASP 419 Ca 0.01 0.10 -0.26 0.00 0.71 0.00 0.00 54.79 55.34 3iul n ASP 419 Cb 0.23 -0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 40.94 3iul n ASP 419 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3iul s TYR 420 N -2.84 2.26 0.03 1.24 2.02 -0.96 0.00 117.35 119.10 3iul s TYR 420 Ca 0.18 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3iul s TYR 420 Cb 0.19 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 3iul s TYR 420 CO 0.54 0.49 -0.02 0.54 -1.57 0.00 0.00 175.55 175.53 3iul s VAL 421 N -1.73 0.14 -0.01 0.71 0.11 0.19 -4.75 120.40 115.06 3iul s VAL 421 Ca 0.21 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 3iul s VAL 421 Cb -0.08 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 3iul s VAL 421 CO 0.10 -0.62 -0.01 -0.55 -3.33 0.00 0.00 175.10 170.69 3iul s SER 422 N -1.82 0.21 0.08 3.54 0.15 -1.26 -1.42 113.70 113.19 3iul s SER 422 Ca -0.10 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.56 3iul s SER 422 Cb -0.06 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.17 3iul s SER 422 CO -0.03 -0.01 -0.10 -1.83 1.20 0.00 0.00 173.24 172.47 3iul s GLU 423 N 0.18 0.79 -0.16 5.44 -1.05 -0.16 -4.98 118.70 118.76 3iul s GLU 423 Ca -0.01 -1.05 -0.01 0.00 -0.15 0.00 0.00 54.97 53.74 3iul s GLU 423 Cb -0.03 -0.55 -0.01 0.00 -0.44 0.00 0.00 34.13 33.10 3iul s GLU 423 CO -0.01 0.10 -0.10 -1.14 0.95 0.00 0.00 175.26 175.06 3iul s GLN 424 N -2.38 3.40 0.38 -4.83 0.74 -1.26 -0.57 119.66 115.14 3iul s GLN 424 Ca 0.01 -0.66 0.08 0.00 0.05 0.00 0.00 55.36 54.84 3iul s GLN 424 Cb -0.05 -2.76 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 3iul s GLN 424 CO 0.00 0.09 0.07 1.03 -0.55 0.00 0.00 175.29 175.93 3iul s ARG 425 N 0.69 2.09 -0.05 1.67 1.81 0.16 -4.96 118.95 120.35 3iul s ARG 425 Ca -0.05 -1.89 -0.00 0.00 -1.72 0.00 0.00 55.73 52.07 3iul s ARG 425 Cb -0.15 -1.86 0.03 0.00 -0.45 0.00 0.00 34.95 32.51 3iul s ARG 425 CO 0.02 -0.00 -0.02 -0.06 -0.68 0.00 0.00 175.30 174.56 3iul s PHE 426 N -2.60 0.62 0.34 -0.53 0.08 -1.26 -0.40 117.98 114.24 3iul s PHE 426 Ca 0.37 -0.15 0.09 0.00 0.12 0.00 0.00 56.93 57.36 3iul s PHE 426 Cb 0.04 -0.66 -0.07 0.00 -0.57 0.00 0.00 43.02 41.76 3iul s PHE 426 CO 0.20 -0.23 -0.07 1.52 -0.10 0.00 0.00 175.22 176.54 3iul s TYR 427 N 1.35 2.34 -0.19 0.36 -0.85 -0.11 -4.88 117.35 115.37 3iul s TYR 427 Ca -0.05 -0.56 -0.10 0.00 -0.52 0.00 0.00 57.07 55.84 3iul s TYR 427 Cb -0.13 -1.39 -0.05 0.00 0.38 0.00 0.00 41.96 40.77 3iul s TYR 427 CO -0.02 0.51 0.15 -1.14 -1.52 0.00 0.00 175.55 173.52 3iul s GLN 428 N -3.65 4.11 0.86 -3.49 0.74 -1.26 -0.01 119.66 116.96 3iul s GLN 428 Ca 0.32 -0.18 -0.08 0.00 0.05 0.00 0.00 55.36 55.48 3iul s GLN 428 Cb 0.04 -3.39 0.18 0.00 1.10 0.00 0.00 33.01 30.93 3iul s GLN 428 CO 0.16 0.35 1.17 0.45 -0.55 0.00 0.00 175.29 176.87 3iul s SER 429 N 0.21 3.61 0.23 6.67 0.15 0.58 -4.89 113.70 120.25 3iul s SER 429 Ca 0.10 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.53 3iul s SER 429 Cb -0.11 0.00 0.41 0.00 -1.71 0.00 0.00 66.02 64.61 3iul s SER 429 CO -0.01 -2.38 1.68 0.50 1.20 0.00 0.00 173.24 174.23 3iul h LYS 430 N -1.13 0.23 -0.55 5.44 3.64 -1.89 0.03 116.57 122.34 3iul h LYS 430 Ca -0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3iul h LYS 430 Cb 1.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3iul h LYS 430 CO 0.36 0.15 0.00 -0.40 -2.27 0.00 0.00 179.45 177.29 3iul n ASP 431 N -5.18 2.14 0.00 4.20 5.68 -1.26 -4.88 116.55 117.25 3iul n ASP 431 Ca 0.13 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 3iul n ASP 431 Cb 0.42 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3iul n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iul n GLY 432 N 0.61 1.42 3.76 6.12 0.00 -0.00 -5.04 105.19 112.06 3iul n GLY 432 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3iul n GLY 432 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iul s THR 433 N -2.64 2.10 -0.11 2.61 2.01 -1.26 -4.52 115.64 113.83 3iul s THR 433 Ca 0.00 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 3iul s THR 433 Cb 0.00 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 3iul s THR 433 CO 0.00 0.02 0.81 -0.13 -0.69 0.00 0.00 174.62 174.63 3iul s ARG 434 N -0.96 4.38 -0.05 4.92 1.81 -1.26 -0.31 118.95 127.48 3iul s ARG 434 Ca 0.60 1.03 0.05 0.00 -1.72 0.00 0.00 55.73 55.70 3iul s ARG 434 Cb -0.47 -3.51 -0.01 0.00 -0.45 0.00 0.00 34.95 30.51 3iul s ARG 434 CO 0.52 -0.15 -0.21 0.08 -0.68 0.00 0.00 175.30 174.85 3iul s VAL 435 N 1.52 1.76 0.38 3.52 1.01 0.98 -4.93 120.40 124.65 3iul s VAL 435 Ca 0.40 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3iul s VAL 435 Cb -0.18 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 3iul s VAL 435 CO 0.17 0.50 1.03 -2.84 0.00 0.00 0.00 175.10 173.95 3iul s PRO 436 N -0.08 4.26 -0.15 2.72 0.02 -1.26 -0.93 135.00 139.59 3iul s PRO 436 Ca -0.03 1.46 -0.04 0.00 0.02 0.00 0.00 61.00 62.41 3iul s PRO 436 Cb -0.13 -2.59 0.07 0.00 0.02 0.00 0.00 34.50 31.87 3iul s PRO 436 CO 0.03 -0.04 0.23 -1.17 -0.33 0.00 0.00 177.00 175.72 3iul s LEU 437 N -2.52 -0.21 -0.23 -5.54 2.96 0.46 -1.50 118.68 112.10 3iul s LEU 437 Ca 0.56 0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 54.65 3iul s LEU 437 Cb -0.21 0.53 -0.05 0.00 0.50 0.00 0.00 46.19 46.96 3iul s LEU 437 CO 0.26 -0.27 0.14 -0.63 -1.32 0.00 0.00 176.35 174.54 3iul s ILE 438 N 2.37 5.27 -0.14 6.68 1.01 -0.27 0.35 121.20 136.47 3iul s ILE 438 Ca 0.04 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.85 3iul s ILE 438 Cb -0.13 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3iul s ILE 438 CO -0.09 0.37 -0.19 -0.63 0.00 0.00 0.00 174.94 174.39 3iul s ILE 439 N 0.94 2.36 0.14 2.92 1.01 0.27 -0.67 121.20 128.18 3iul s ILE 439 Ca 0.07 -0.88 0.09 0.00 0.00 0.00 0.00 60.65 59.94 3iul s ILE 439 Cb -0.13 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3iul s ILE 439 CO 0.03 0.53 -0.22 -0.44 0.00 0.00 0.00 174.94 174.85 3iul s SER 440 N 0.77 2.91 -0.03 3.58 0.01 0.19 -0.99 113.70 120.14 3iul s SER 440 Ca -0.07 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.10 3iul s SER 440 Cb -0.16 -0.18 0.11 0.00 0.21 0.00 0.00 66.02 66.01 3iul s SER 440 CO -0.00 0.07 1.31 -0.72 0.41 0.00 0.00 173.24 174.31 3iul s TYR 441 N -1.49 -0.01 0.21 2.43 -0.85 -0.51 -1.35 117.35 115.79 3iul s TYR 441 Ca 0.13 -0.08 -0.30 0.00 -0.52 0.00 0.00 57.07 56.30 3iul s TYR 441 Cb -0.08 0.54 -0.08 0.00 0.38 0.00 0.00 41.96 42.72 3iul s TYR 441 CO 0.06 -0.23 1.13 1.03 -1.52 0.00 0.00 175.55 176.02 3iul s ARG 442 N -2.20 4.58 0.41 -3.49 0.52 -1.26 -0.64 118.95 116.88 3iul s ARG 442 Ca 0.21 1.79 -0.26 0.00 -0.52 0.00 0.00 55.73 56.95 3iul s ARG 442 Cb 0.03 -3.24 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 3iul s ARG 442 CO -0.03 0.08 1.33 1.17 0.02 0.00 0.00 175.30 177.86 3iul n LYS 443 N 2.01 2.10 0.00 3.54 3.00 0.10 -3.24 118.16 125.67 3iul n LYS 443 Ca 0.02 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 3iul n LYS 443 Cb 0.45 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.03 3iul n LYS 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3iul n GLY 444 N 0.72 1.03 3.79 3.14 0.00 -1.26 -4.98 105.19 107.63 3iul n GLY 444 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3iul n GLY 444 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iul s LEU 445 N 0.00 4.27 -0.11 0.99 0.20 -1.20 -5.06 118.68 117.77 3iul s LEU 445 Ca 0.00 1.79 -0.02 0.00 0.69 0.00 0.00 54.13 56.59 3iul s LEU 445 Cb 0.00 -4.10 -0.03 0.00 -0.43 0.00 0.00 46.19 41.63 3iul s LEU 445 CO 0.00 -0.12 -0.03 -0.54 -0.29 0.00 0.00 176.35 175.37 3iul s LYS 446 N -2.26 3.24 -1.48 1.98 1.02 -1.26 -5.00 119.74 115.98 3iul s LYS 446 Ca 0.52 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 55.94 3iul s LYS 446 Cb -0.17 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.25 3iul s LYS 446 CO 0.22 0.49 2.80 1.28 -0.92 0.00 0.00 175.35 179.22 3iul n LEU 447 N 2.76 8.00 -1.06 3.17 4.77 -1.26 -4.30 117.00 129.09 3iul n LEU 447 Ca -0.18 -4.07 0.09 0.00 -0.03 0.00 0.00 56.01 51.83 3iul n LEU 447 Cb 0.53 -1.47 0.25 0.00 -2.33 0.00 0.00 43.42 40.40 3iul n LEU 447 CO 0.30 1.79 0.71 -0.90 -1.33 0.00 0.00 177.39 177.96 3iul n ASP 448 N 3.70 3.53 -0.93 -1.43 5.68 -0.90 -4.64 116.55 121.56 3iul n ASP 448 Ca 0.72 -1.99 -0.12 0.00 -0.50 0.00 0.00 54.79 52.89 3iul n ASP 448 Cb 0.21 -0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 39.76 3iul n ASP 448 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iul n GLY 449 N 1.20 1.31 0.34 6.12 0.00 0.33 -4.89 105.19 109.59 3iul n GLY 449 Ca 0.19 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.79 3iul n GLY 449 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iul n SER 450 N 0.04 1.65 -4.70 1.61 3.41 -1.26 -2.87 113.62 111.50 3iul n SER 450 Ca -0.12 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 56.74 3iul n SER 450 Cb 0.40 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 3iul n SER 450 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3iul s ASN 451 N -0.86 6.98 -0.04 4.04 0.01 -1.12 -4.95 114.94 119.00 3iul s ASN 451 Ca 0.10 2.03 -0.30 0.00 -0.71 0.00 0.00 52.86 53.98 3iul s ASN 451 Cb 0.08 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 3iul s ASN 451 CO 0.14 -0.58 1.75 -2.16 -1.51 0.00 0.00 177.10 174.73 3iul s PRO 452 N 1.69 4.14 0.02 -0.60 0.04 -1.26 -4.51 135.00 134.52 3iul s PRO 452 Ca 0.60 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.99 3iul s PRO 452 Cb -0.30 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 3iul s PRO 452 CO 0.27 -0.91 -0.19 0.99 0.04 0.00 0.00 177.00 177.20 3iul s THR 453 N 4.27 1.48 -0.21 1.26 2.01 0.34 -0.86 115.64 123.93 3iul s THR 453 Ca 0.78 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.77 3iul s THR 453 Cb -0.36 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 70.90 3iul s THR 453 CO 0.33 0.24 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.72 3iul s ILE 454 N -0.68 2.28 -0.24 1.82 1.01 -0.43 -0.55 121.20 124.41 3iul s ILE 454 Ca 0.06 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3iul s ILE 454 Cb -0.08 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3iul s ILE 454 CO 0.01 0.36 0.18 -0.22 0.00 0.00 0.00 174.94 175.27 3iul s LEU 455 N 1.27 4.11 0.06 2.97 2.96 -0.11 -1.26 118.68 128.68 3iul s LEU 455 Ca 0.01 0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 3iul s LEU 455 Cb -0.15 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 3iul s LEU 455 CO -0.09 0.05 -0.25 -0.47 -1.32 0.00 0.00 176.35 174.27 3iul s TYR 456 N 1.11 2.36 0.29 5.38 5.04 0.86 -0.58 117.35 131.81 3iul s TYR 456 Ca 0.08 -0.38 -0.18 0.00 -2.44 0.00 0.00 57.07 54.15 3iul s TYR 456 Cb -0.14 -1.38 0.02 0.00 0.35 0.00 0.00 41.96 40.81 3iul s TYR 456 CO 0.05 0.19 0.68 0.20 -1.34 0.00 0.00 175.55 175.32 3iul s GLY 457 N -1.43 0.13 0.00 8.97 0.00 -1.16 -1.60 107.32 112.23 3iul s GLY 457 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3iul s GLY 457 CO 0.03 -0.24 0.00 2.98 0.00 0.00 0.00 173.10 175.87 3iul n TYR 458 N -0.46 0.00 -1.53 1.90 9.36 -1.26 -4.56 117.16 120.62 3iul n TYR 458 Ca -0.04 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.18 3iul n TYR 458 Cb 0.60 0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 3iul n TYR 458 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3iul n GLY 459 N 1.90 0.38 0.00 2.98 0.00 -1.26 -4.38 105.19 104.81 3iul n GLY 459 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3iul n GLY 459 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iul n GLY 460 N -1.29 1.32 2.32 -0.02 0.00 -1.06 -4.60 105.19 101.86 3iul n GLY 460 Ca -0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3iul n GLY 460 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iul n PHE 461 N -0.58 -1.06 -1.71 1.61 3.72 -1.11 -1.66 117.46 116.67 3iul n PHE 461 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3iul n PHE 461 Cb 0.00 -2.86 -0.07 0.00 -0.94 0.00 0.00 39.48 35.60 3iul n PHE 461 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3iul n ASP 462 N -1.47 -5.44 -4.71 4.37 2.03 -0.88 -4.91 116.55 105.54 3iul n ASP 462 Ca -0.16 0.41 -0.42 0.00 0.52 0.00 0.00 54.79 55.14 3iul n ASP 462 Cb 0.57 -4.65 -0.03 0.00 -0.72 0.00 0.00 41.12 36.29 3iul n ASP 462 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iul s VAL 463 N -2.78 4.90 -0.19 5.18 1.01 -0.67 -3.01 120.40 124.84 3iul s VAL 463 Ca 0.00 1.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.85 3iul s VAL 463 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3iul s VAL 463 CO 0.00 0.18 0.09 -0.44 0.00 0.00 0.00 175.10 174.92 3iul s SER 464 N 0.97 5.83 -0.65 3.32 0.01 -1.26 -1.73 113.70 120.19 3iul s SER 464 Ca 0.49 0.14 -0.21 0.00 1.31 0.00 0.00 55.95 57.68 3iul s SER 464 Cb -0.20 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.10 3iul s SER 464 CO 0.26 0.18 0.90 -0.76 0.41 0.00 0.00 173.24 174.23 3iul s LEU 465 N 0.34 4.72 -0.01 2.44 1.43 -1.26 -4.97 118.68 121.37 3iul s LEU 465 Ca 0.05 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 51.95 3iul s LEU 465 Cb -0.12 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3iul s LEU 465 CO -0.01 -1.33 0.15 0.42 0.23 0.00 0.00 176.35 175.81 3iul s THR 466 N 3.58 5.19 0.33 5.49 -4.23 -1.26 -4.91 115.64 119.83 3iul s THR 466 Ca 0.19 -0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 3iul s THR 466 Cb -0.18 -3.40 -0.12 0.00 1.34 0.00 0.00 72.50 70.13 3iul s THR 466 CO 0.08 0.35 1.33 -2.65 -0.54 0.00 0.00 174.62 173.19 3iul n PRO 467 N 1.07 2.18 -3.68 3.99 -0.02 -1.26 -5.02 135.00 132.26 3iul n PRO 467 Ca -0.12 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 61.99 3iul n PRO 467 Cb 0.53 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 3iul n PRO 467 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iul s SER 468 N -0.17 -0.50 0.23 2.55 1.04 -1.26 -4.11 113.70 111.48 3iul s SER 468 Ca 0.57 0.84 -0.30 0.00 0.48 0.00 0.00 55.95 57.54 3iul s SER 468 Cb -0.57 0.86 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 3iul s SER 468 CO 0.60 -0.29 0.97 0.12 0.98 0.00 0.00 173.24 175.62 3iul s PHE 469 N -0.21 3.90 -0.02 5.02 5.36 -1.20 -3.97 117.98 126.86 3iul s PHE 469 Ca -0.04 1.87 -0.00 0.00 -0.96 0.00 0.00 56.93 57.80 3iul s PHE 469 Cb -0.03 -3.04 0.03 0.00 -0.34 0.00 0.00 43.02 39.64 3iul s PHE 469 CO 0.03 0.26 0.03 0.45 -1.46 0.00 0.00 175.22 174.53 3iul s SER 470 N -0.99 0.08 0.20 6.13 0.15 -1.26 -5.00 113.70 112.99 3iul s SER 470 Ca 0.42 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 3iul s SER 470 Cb -0.27 -0.07 0.15 0.00 -1.71 0.00 0.00 66.02 64.13 3iul s SER 470 CO 0.33 -0.13 1.84 0.58 1.20 0.00 0.00 173.24 177.06 3iul h VAL 471 N 6.30 1.10 -0.31 4.45 2.07 -1.94 -1.14 116.25 126.78 3iul h VAL 471 Ca -0.46 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3iul h VAL 471 Cb 1.12 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3iul h VAL 471 CO 0.48 0.15 0.10 -1.28 0.02 0.00 0.00 177.57 177.03 3iul h SER 472 N 0.81 0.09 -0.57 0.57 0.87 -1.96 -0.86 113.55 112.50 3iul h SER 472 Ca 0.25 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 3iul h SER 472 Cb -0.01 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3iul h SER 472 CO -0.09 0.09 0.07 0.58 -0.53 0.00 0.00 176.83 176.95 3iul h VAL 473 N 0.23 1.26 -0.52 2.23 2.07 -1.89 -2.27 116.25 117.36 3iul h VAL 473 Ca 0.14 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3iul h VAL 473 Cb 0.12 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3iul h VAL 473 CO -0.16 0.38 0.27 0.00 0.02 0.00 0.00 177.57 178.08 3iul h ALA 474 N 1.14 1.50 -0.34 1.67 0.00 -0.68 -0.79 119.26 121.76 3iul h ALA 474 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3iul h ALA 474 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iul h ALA 474 CO 0.02 0.41 -0.19 -0.91 0.00 0.00 0.00 179.25 178.57 3iul h ASN 475 N 0.72 0.64 -0.43 0.00 2.35 -0.66 -1.21 115.58 116.99 3iul h ASN 475 Ca 0.18 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3iul h ASN 475 Cb 0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3iul h ASN 475 CO -0.03 0.84 0.12 -0.25 -1.65 0.00 0.00 177.43 176.46 3iul h TRP 476 N 0.57 0.70 -0.77 1.19 2.91 -0.70 -2.51 115.95 117.35 3iul h TRP 476 Ca 0.09 -0.08 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 3iul h TRP 476 Cb 0.65 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.06 3iul h TRP 476 CO 0.03 0.65 0.48 -0.07 -1.03 0.00 0.00 178.44 178.50 3iul h LEU 477 N 0.56 0.92 -2.47 0.65 3.38 -0.83 -0.94 115.31 116.58 3iul h LEU 477 Ca 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iul h LEU 477 Cb 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3iul h LEU 477 CO -0.00 0.70 -0.01 0.44 0.09 0.00 0.00 178.44 179.66 3iul h ASP 478 N 1.06 0.00 -0.04 -0.43 3.32 -0.96 -1.20 116.42 118.18 3iul h ASP 478 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3iul h ASP 478 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3iul h ASP 478 CO -0.05 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.65 3iul n LEU 479 N -3.13 1.18 0.00 1.55 4.77 -0.47 -4.86 117.00 116.03 3iul n LEU 479 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3iul n LEU 479 Cb 0.15 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3iul n LEU 479 CO 0.23 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3iul n GLY 480 N 1.11 0.81 3.87 -0.72 0.00 -0.45 -4.39 105.19 105.42 3iul n GLY 480 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3iul n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iul s GLY 481 N -1.66 1.76 -0.09 -0.02 0.00 -0.55 -4.27 107.32 102.49 3iul s GLY 481 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.65 3iul s GLY 481 CO 0.00 0.17 -0.09 0.14 0.00 0.00 0.00 173.10 173.33 3iul s VAL 482 N -2.93 3.50 -0.24 1.40 1.01 -0.04 -4.29 120.40 118.82 3iul s VAL 482 Ca 0.55 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3iul s VAL 482 Cb -0.11 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.87 3iul s VAL 482 CO 0.46 0.57 -0.11 -0.47 0.00 0.00 0.00 175.10 175.54 3iul s TYR 483 N -0.45 3.07 -0.14 5.22 5.04 -0.46 -1.31 117.35 128.32 3iul s TYR 483 Ca 0.06 -1.87 0.00 0.00 -2.44 0.00 0.00 57.07 52.82 3iul s TYR 483 Cb -0.12 -1.98 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 3iul s TYR 483 CO 0.02 -0.81 -0.15 0.00 -1.34 0.00 0.00 175.55 173.27 3iul s ALA 484 N 1.23 2.50 -0.19 3.97 0.00 -0.39 -0.64 121.76 128.25 3iul s ALA 484 Ca -0.02 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 3iul s ALA 484 Cb -0.17 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.78 3iul s ALA 484 CO -0.07 0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.70 3iul s VAL 485 N 0.62 2.45 -0.16 0.00 1.01 0.15 -0.10 120.40 124.37 3iul s VAL 485 Ca -0.08 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 3iul s VAL 485 Cb -0.16 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3iul s VAL 485 CO 0.03 0.51 0.16 0.00 0.00 0.00 0.00 175.10 175.80 3iul s ALA 486 N 1.27 3.74 -1.22 5.51 0.00 -0.63 -1.11 121.76 129.32 3iul s ALA 486 Ca 0.04 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 3iul s ALA 486 Cb -0.14 -2.14 0.20 0.00 0.00 0.00 0.00 23.12 21.04 3iul s ALA 486 CO -0.09 0.31 1.63 0.09 0.00 0.00 0.00 175.76 177.70 3iul n ASN 487 N 2.99 5.36 -4.71 0.00 3.02 -0.56 -4.55 115.26 116.81 3iul n ASN 487 Ca -0.17 -3.11 -0.31 0.00 -0.03 0.00 0.00 54.58 50.96 3iul n ASN 487 Cb 0.53 -1.47 0.14 0.00 -0.61 0.00 0.00 39.78 38.37 3iul n ASN 487 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iul s LEU 488 N -0.14 2.97 0.80 3.41 1.43 -1.26 -4.42 118.68 121.46 3iul s LEU 488 Ca 0.39 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 3iul s LEU 488 Cb 0.04 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.78 3iul s LEU 488 CO 0.01 -2.69 1.12 -0.13 0.23 0.00 0.00 176.35 174.89 3iul s ARG 489 N -4.61 1.89 0.00 1.70 0.52 -1.26 -2.96 118.95 114.23 3iul s ARG 489 Ca 0.66 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.24 3iul s ARG 489 Cb -0.22 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3iul s ARG 489 CO 0.55 -1.95 0.00 0.41 0.02 0.00 0.00 175.30 174.34 3iul n GLY 490 N -0.53 3.17 0.28 -3.53 0.00 0.53 -4.26 105.19 100.85 3iul n GLY 490 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 3iul n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iul n GLY 491 N -1.00 -0.60 0.97 -0.02 0.00 -1.15 -2.07 105.19 101.32 3iul n GLY 491 Ca 0.00 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.34 3iul n GLY 491 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iul n GLY 492 N 4.38 3.55 0.28 -0.02 0.00 -0.70 -2.96 105.19 109.71 3iul n GLY 492 Ca 0.01 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.29 3iul n GLY 492 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iul h GLU 493 N 2.22 0.00 -0.84 1.61 3.07 -1.87 -3.19 114.58 115.58 3iul h GLU 493 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 3iul h GLU 493 Cb 1.32 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.82 3iul h GLU 493 CO 0.19 0.00 -1.04 0.66 -1.40 0.00 0.00 179.01 177.43 3iul n TYR 494 N -4.21 1.81 -3.35 4.33 4.01 -1.26 -4.66 117.16 113.83 3iul n TYR 494 Ca -0.03 -2.52 0.01 0.00 -0.16 0.00 0.00 57.90 55.20 3iul n TYR 494 Cb 0.09 -0.27 -0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3iul n TYR 494 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iul n GLY 495 N -0.42 -1.88 0.38 2.72 0.00 -1.21 -3.99 105.19 100.78 3iul n GLY 495 Ca 0.19 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 45.01 3iul n GLY 495 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iul h GLN 496 N 0.00 0.56 -0.46 1.61 4.15 -1.92 -2.40 115.11 116.65 3iul h GLN 496 Ca 0.00 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3iul h GLN 496 Cb 0.08 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 3iul h GLN 496 CO 0.00 0.37 -0.15 0.00 -1.93 0.00 0.00 178.83 177.12 3iul h ALA 497 N 1.61 0.88 -0.60 3.38 0.00 -1.97 -0.12 119.26 122.44 3iul h ALA 497 Ca 0.45 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3iul h ALA 497 Cb 0.87 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3iul h ALA 497 CO -0.19 0.64 0.11 2.35 0.00 0.00 0.00 179.25 182.15 3iul h TRP 498 N 0.77 1.05 0.66 0.00 2.91 -1.57 -2.08 115.95 117.70 3iul h TRP 498 Ca 0.12 -0.14 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 3iul h TRP 498 Cb 0.67 -0.29 0.01 0.00 -0.51 0.00 0.00 29.16 29.03 3iul h TRP 498 CO 0.04 0.90 -0.32 1.25 -1.03 0.00 0.00 178.44 179.28 3iul h HIS 499 N 0.90 -0.83 -0.24 2.65 2.76 -1.29 0.15 115.15 119.25 3iul h HIS 499 Ca 0.18 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 3iul h HIS 499 Cb 0.41 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3iul h HIS 499 CO 0.03 -0.51 0.18 -0.07 -1.30 0.00 0.00 177.93 176.26 3iul h LEU 500 N -1.16 0.00 0.00 0.26 3.38 -1.06 0.73 115.31 117.47 3iul h LEU 500 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iul h LEU 500 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iul h LEU 500 CO 0.15 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3iul n ALA 501 N -2.56 1.99 -1.48 1.53 0.00 -0.78 -1.94 120.51 117.27 3iul n ALA 501 Ca 0.03 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.45 3iul n ALA 501 Cb 0.33 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.66 3iul n ALA 501 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iul n GLY 502 N -0.11 3.66 3.48 0.00 0.00 0.25 -4.64 105.19 107.83 3iul n GLY 502 Ca 0.10 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3iul n GLY 502 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iul s THR 503 N -2.08 2.53 0.00 2.61 -4.23 -0.82 -4.32 115.64 109.34 3iul s THR 503 Ca 0.26 -2.38 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3iul s THR 503 Cb 0.24 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3iul s THR 503 CO -0.01 -0.40 0.00 0.00 -0.54 0.00 0.00 174.62 173.67 3iul n GLN 504 N -0.64 0.00 0.00 3.99 1.13 0.33 -0.58 117.38 121.61 3iul n GLN 504 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3iul n GLN 504 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 3iul n GLN 504 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3iul n GLN 505 N 14.00 0.88 -0.01 -1.09 6.02 -1.26 -2.09 117.38 133.82 3iul n GLN 505 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 3iul n GLN 505 Cb 0.00 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.04 3iul n GLN 505 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3iul n ASN 506 N -0.20 1.60 -0.20 1.08 5.03 0.26 -4.75 115.26 118.07 3iul n ASN 506 Ca 0.00 -1.46 0.13 0.00 0.87 0.00 0.00 54.58 54.12 3iul n ASN 506 Cb 0.12 -0.02 0.43 0.00 -1.02 0.00 0.00 39.78 39.29 3iul n ASN 506 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3iul h LYS 507 N 0.45 0.55 -0.07 3.52 1.63 -1.42 -1.02 116.57 120.21 3iul h LYS 507 Ca 0.00 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3iul h LYS 507 Cb 0.28 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3iul h LYS 507 CO 0.00 0.37 0.21 0.37 -3.45 0.00 0.00 179.45 176.95 3iul h GLN 508 N 0.57 0.00 -0.65 1.90 5.75 -1.85 -0.20 115.11 120.63 3iul h GLN 508 Ca 0.39 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.84 3iul h GLN 508 Cb 0.70 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 3iul h GLN 508 CO -0.15 0.00 0.23 -0.91 -2.65 0.00 0.00 178.83 175.35 3iul h ASN 509 N 0.00 0.90 -0.32 -0.69 2.35 -1.44 -1.14 115.58 115.24 3iul h ASN 509 Ca 0.03 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3iul h ASN 509 Cb 0.46 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3iul h ASN 509 CO -0.00 0.83 0.17 0.58 -1.65 0.00 0.00 177.43 177.36 3iul h VAL 510 N 0.95 1.14 -0.58 2.81 2.07 -1.20 -0.63 116.25 120.81 3iul h VAL 510 Ca 0.22 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 3iul h VAL 510 Cb 0.23 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3iul h VAL 510 CO -0.01 0.14 -0.03 -0.26 0.02 0.00 0.00 177.57 177.43 3iul h PHE 511 N 0.40 1.14 -0.64 1.57 0.04 -1.53 -1.80 116.94 116.12 3iul h PHE 511 Ca 0.11 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 3iul h PHE 511 Cb 0.08 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3iul h PHE 511 CO -0.03 1.02 0.08 -0.44 -0.60 0.00 0.00 178.31 178.34 3iul h ASP 512 N 0.94 1.03 -0.68 2.17 3.32 -1.05 0.99 116.42 123.14 3iul h ASP 512 Ca 0.16 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3iul h ASP 512 Cb 0.59 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3iul h ASP 512 CO 0.04 1.04 0.43 0.44 -1.72 0.00 0.00 179.24 179.46 3iul h ASP 513 N 1.00 0.81 -0.30 6.45 3.32 -0.82 0.13 116.42 127.00 3iul h ASP 513 Ca 0.19 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 3iul h ASP 513 Cb 0.46 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3iul h ASP 513 CO 0.02 0.61 -0.34 0.15 -1.72 0.00 0.00 179.24 177.96 3iul h PHE 514 N 0.93 0.92 -0.70 4.55 3.57 -0.90 -1.58 116.94 123.73 3iul h PHE 514 Ca 0.25 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3iul h PHE 514 Cb -0.06 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 3iul h PHE 514 CO -0.02 1.06 0.46 0.82 -2.23 0.00 0.00 178.31 178.40 3iul h ILE 515 N 0.52 1.14 -0.11 1.41 2.04 -0.55 -1.24 117.51 120.73 3iul h ILE 515 Ca 0.04 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3iul h ILE 515 Cb 0.92 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3iul h ILE 515 CO 0.08 0.17 -0.17 0.00 0.00 0.00 0.00 178.15 178.23 3iul h ALA 516 N 1.28 1.52 -0.40 1.87 0.00 -0.82 -2.04 119.26 120.65 3iul h ALA 516 Ca 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3iul h ALA 516 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3iul h ALA 516 CO -0.08 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.64 3iul h ALA 517 N 1.67 0.53 -0.60 0.00 0.00 -0.21 -1.07 119.26 119.57 3iul h ALA 517 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3iul h ALA 517 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3iul h ALA 517 CO 0.03 0.19 0.28 0.00 0.00 0.00 0.00 179.25 179.75 3iul h ALA 518 N 0.97 0.78 -0.73 0.00 0.00 -0.94 -1.98 119.26 117.34 3iul h ALA 518 Ca 0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3iul h ALA 518 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3iul h ALA 518 CO -0.00 0.35 0.26 0.93 0.00 0.00 0.00 179.25 180.79 3iul h GLU 519 N 0.83 1.11 -0.34 0.00 4.39 -1.20 -2.77 114.58 116.61 3iul h GLU 519 Ca 0.21 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3iul h GLU 519 Cb 0.14 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3iul h GLU 519 CO -0.02 0.93 0.09 -0.92 -1.16 0.00 0.00 179.01 177.92 3iul h TYR 520 N 1.08 0.56 -0.36 4.33 3.20 -0.94 -0.12 116.97 124.71 3iul h TYR 520 Ca 0.24 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3iul h TYR 520 Cb 0.25 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3iul h TYR 520 CO 0.02 0.56 0.24 -0.07 -1.64 0.00 0.00 178.16 177.27 3iul h LEU 521 N 0.39 0.38 0.02 2.82 3.38 -1.21 0.12 115.31 121.21 3iul h LEU 521 Ca 0.11 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3iul h LEU 521 Cb 0.28 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3iul h LEU 521 CO -0.00 0.27 -0.33 0.11 0.09 0.00 0.00 178.44 178.58 3iul h LYS 522 N 0.45 0.19 -0.02 1.13 1.57 -1.21 -1.62 116.57 117.06 3iul h LYS 522 Ca 0.14 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3iul h LYS 522 Cb 0.01 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3iul h LYS 522 CO -0.03 1.00 -0.03 0.00 -0.57 0.00 0.00 179.45 179.82 3iul h ALA 523 N 0.20 1.92 -0.01 3.86 0.00 -0.60 -1.79 119.26 122.84 3iul h ALA 523 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iul h ALA 523 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iul h ALA 523 CO 0.06 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.77 3iul n GLU 524 N -4.49 1.47 -0.64 0.00 -0.58 0.39 -4.95 120.64 111.85 3iul n GLU 524 Ca -0.03 -0.69 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 3iul n GLU 524 Cb 0.12 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3iul n GLU 524 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iul n GLY 525 N 1.12 0.77 0.16 0.62 0.00 -0.67 -4.93 105.19 102.26 3iul n GLY 525 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3iul n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iul h TYR 526 N 0.00 0.56 -1.93 1.61 0.05 -1.52 0.97 116.97 116.71 3iul h TYR 526 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3iul h TYR 526 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.63 3iul h TYR 526 CO 0.00 0.86 0.00 -2.37 -1.05 0.00 0.00 178.16 175.60 3iul n THR 527 N -4.44 0.00 -3.96 -2.88 5.66 -1.13 -2.80 114.28 104.73 3iul n THR 527 Ca -0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.85 3iul n THR 527 Cb 0.42 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.15 3iul n THR 527 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iul s ARG 528 N -1.78 1.40 0.21 1.09 1.70 -1.14 -4.28 118.95 116.14 3iul s ARG 528 Ca 0.00 -1.19 -0.18 0.00 -0.47 0.00 0.00 55.73 53.89 3iul s ARG 528 Cb 0.00 0.44 0.19 0.00 -0.57 0.00 0.00 34.95 35.01 3iul s ARG 528 CO 0.00 -0.56 1.58 1.15 -1.08 0.00 0.00 175.30 176.39 3iul h THR 529 N 2.35 0.15 0.00 4.99 2.02 -1.91 0.74 112.91 121.25 3iul h THR 529 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iul h THR 529 Cb 1.25 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3iul h THR 529 CO 0.40 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.39 3iul n ASP 530 N -5.46 0.00 -0.02 4.18 5.68 -1.26 -2.42 116.55 117.25 3iul n ASP 530 Ca 0.07 -1.18 0.02 0.00 -0.50 0.00 0.00 54.79 53.20 3iul n ASP 530 Cb 0.37 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.38 3iul n ASP 530 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iul n ARG 531 N -0.81 2.59 -4.67 0.11 5.12 0.20 -4.85 116.66 114.36 3iul n ARG 531 Ca 0.12 -1.69 -0.33 0.00 -1.93 0.00 0.00 57.85 54.02 3iul n ARG 531 Cb 0.06 -1.09 -0.13 0.00 -1.16 0.00 0.00 32.46 30.14 3iul n ARG 531 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iul s LEU 532 N -1.35 2.95 0.03 0.55 2.96 -0.89 -0.50 118.68 122.43 3iul s LEU 532 Ca 0.06 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3iul s LEU 532 Cb 0.05 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3iul s LEU 532 CO 0.01 0.24 -0.19 0.00 -1.32 0.00 0.00 176.35 175.08 3iul s ALA 533 N -0.05 1.60 0.01 5.97 0.00 0.29 -0.79 121.76 128.78 3iul s ALA 533 Ca -0.01 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3iul s ALA 533 Cb -0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3iul s ALA 533 CO 0.03 0.36 -0.18 0.96 0.00 0.00 0.00 175.76 176.93 3iul s ILE 534 N -0.72 2.75 0.02 0.00 -4.36 -0.45 -0.93 121.20 117.50 3iul s ILE 534 Ca 0.06 -1.05 -0.01 0.00 -0.26 0.00 0.00 60.65 59.40 3iul s ILE 534 Cb -0.08 -2.11 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 3iul s ILE 534 CO 0.01 0.44 -0.01 -0.60 0.24 0.00 0.00 174.94 175.02 3iul s ARG 535 N -1.12 0.36 -0.16 0.37 3.52 0.25 -0.89 118.95 121.28 3iul s ARG 535 Ca 0.13 -0.64 -0.33 0.00 -0.13 0.00 0.00 55.73 54.76 3iul s ARG 535 Cb -0.10 0.13 0.14 0.00 -1.56 0.00 0.00 34.95 33.55 3iul s ARG 535 CO 0.03 -0.06 1.13 0.20 -0.81 0.00 0.00 175.30 175.79 3iul s GLY 536 N -1.59 -0.28 -0.02 8.12 0.00 -1.18 -2.98 107.32 109.39 3iul s GLY 536 Ca -0.14 1.68 0.04 0.00 0.00 0.00 0.00 44.72 46.30 3iul s GLY 536 CO -0.02 0.62 -0.14 -0.32 0.00 0.00 0.00 173.10 173.25 3iul s GLY 537 N -1.97 0.73 0.00 0.20 0.00 -1.25 -1.13 107.32 103.90 3iul s GLY 537 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3iul s GLY 537 CO -0.05 -0.43 0.00 1.44 0.00 0.00 0.00 173.10 174.06 3iul n SER 538 N 2.89 0.00 0.23 1.64 7.64 0.40 -0.34 113.62 126.08 3iul n SER 538 Ca -0.16 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.83 3iul n SER 538 Cb 0.54 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.22 3iul n SER 538 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3iul h ASN 539 N 0.00 0.00 1.08 6.43 -0.73 -1.90 -1.76 115.58 118.70 3iul h ASN 539 Ca 0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 3iul h ASN 539 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3iul h ASN 539 CO 0.00 0.20 -0.60 1.23 -0.37 0.00 0.00 177.43 177.90 3iul h GLY 540 N 2.10 0.00 1.32 1.57 0.00 -0.89 -1.77 103.07 105.40 3iul h GLY 540 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3iul h GLY 540 CO 0.03 0.00 -0.64 -1.33 0.00 0.00 0.00 176.54 174.59 3iul h GLY 541 N 2.76 0.77 0.98 4.60 0.00 -1.38 -2.29 103.07 108.51 3iul h GLY 541 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 3iul h GLY 541 CO 0.08 0.87 0.22 -2.00 0.00 0.00 0.00 176.54 175.71 3iul h LEU 542 N 0.51 0.45 -0.23 3.11 5.85 -1.22 -0.01 115.31 123.77 3iul h LEU 542 Ca -0.01 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3iul h LEU 542 Cb 1.24 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 3iul h LEU 542 CO 0.13 0.37 -0.25 0.25 -0.34 0.00 0.00 178.44 178.60 3iul h LEU 543 N 0.48 -0.79 -0.43 2.25 5.85 -1.14 0.30 115.31 121.83 3iul h LEU 543 Ca 0.13 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3iul h LEU 543 Cb 0.01 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3iul h LEU 543 CO -0.02 -0.29 0.24 0.58 -0.34 0.00 0.00 178.44 178.61 3iul h VAL 544 N -0.26 1.15 -0.79 1.05 2.07 -1.17 -0.99 116.25 117.30 3iul h VAL 544 Ca 0.13 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3iul h VAL 544 Cb 0.47 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3iul h VAL 544 CO -0.38 0.16 0.37 1.23 0.02 0.00 0.00 177.57 178.97 3iul h GLY 545 N 0.56 1.21 0.65 2.17 0.00 -0.39 -3.05 103.07 104.22 3iul h GLY 545 Ca 0.15 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3iul h GLY 545 CO -0.03 0.57 -0.10 0.00 0.00 0.00 0.00 176.54 176.98 3iul h ALA 546 N 1.29 0.14 0.00 3.60 0.00 -0.18 -2.77 119.26 121.33 3iul h ALA 546 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iul h ALA 546 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iul h ALA 546 CO -0.03 -0.02 0.00 0.28 0.00 0.00 0.00 179.25 179.48 3iul n VAL 547 N -4.65 0.23 0.00 0.00 0.31 -0.40 -1.40 118.33 112.41 3iul n VAL 547 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3iul n VAL 547 Cb 0.33 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3iul n VAL 547 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3iul n THR 549 N 0.85 0.00 0.06 2.52 -2.24 -1.05 -0.49 114.28 113.94 3iul n THR 549 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3iul n THR 549 Cb 0.12 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 3iul n THR 549 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3iul h GLN 550 N 0.00 0.30 -2.04 -0.78 4.20 -1.50 -3.42 115.11 111.86 3iul h GLN 550 Ca 0.00 -0.51 -0.54 0.00 0.06 0.00 0.00 58.65 57.66 3iul h GLN 550 Cb 0.00 0.19 -0.40 0.00 0.30 0.00 0.00 27.48 27.57 3iul h GLN 550 CO 0.00 1.18 -1.05 0.54 -0.67 0.00 0.00 178.83 178.83 3iul n ARG 551 N -3.49 1.19 0.16 1.46 5.12 0.36 -4.93 116.66 116.53 3iul n ARG 551 Ca -0.21 -3.56 0.11 0.00 -1.93 0.00 0.00 57.85 52.26 3iul n ARG 551 Cb 1.06 -1.57 0.59 0.00 -1.16 0.00 0.00 32.46 31.38 3iul n ARG 551 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3iul n PRO 552 N 0.85 0.15 0.07 5.56 -0.04 -1.26 -1.34 135.00 138.99 3iul n PRO 552 Ca 0.24 0.62 0.13 0.00 -0.04 0.00 0.00 63.50 64.45 3iul n PRO 552 Cb 0.55 -1.96 0.32 0.00 -0.04 0.00 0.00 33.50 32.37 3iul n PRO 552 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3iul n ASP 553 N -2.28 0.68 0.00 3.54 5.75 -1.26 -4.15 116.55 118.83 3iul n ASP 553 Ca -0.01 0.35 0.09 0.00 -0.01 0.00 0.00 54.79 55.21 3iul n ASP 553 Cb 0.05 -0.34 0.50 0.00 -1.03 0.00 0.00 41.12 40.31 3iul n ASP 553 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3iul n LEU 554 N -2.10 0.00 -0.00 -2.12 7.94 -0.45 -5.01 117.00 115.26 3iul n LEU 554 Ca 0.05 0.22 -0.00 0.00 -1.11 0.00 0.00 56.01 55.17 3iul n LEU 554 Cb 0.42 -0.22 -0.00 0.00 0.53 0.00 0.00 43.42 44.15 3iul n LEU 554 CO 0.33 -0.08 -0.52 -1.14 -1.11 0.00 0.00 177.39 174.87 3iul n ARG 556 N -1.22 3.62 -4.18 1.96 3.00 0.03 -4.72 116.66 115.15 3iul n ARG 556 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.78 3iul n ARG 556 Cb 0.13 -1.01 -0.15 0.00 0.00 0.00 0.00 32.46 31.43 3iul n ARG 556 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3iul s VAL 557 N -2.01 0.46 -0.08 5.15 1.01 -1.04 -1.55 120.40 122.32 3iul s VAL 557 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3iul s VAL 557 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3iul s VAL 557 CO 0.02 0.14 -0.20 0.00 0.00 0.00 0.00 175.10 175.07 3iul s ALA 558 N 0.08 1.82 -0.59 5.51 0.00 0.32 -1.34 121.76 127.56 3iul s ALA 558 Ca -0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3iul s ALA 558 Cb -0.05 -0.71 0.18 0.00 0.00 0.00 0.00 23.12 22.54 3iul s ALA 558 CO -0.00 0.23 0.45 1.28 0.00 0.00 0.00 175.76 177.72 3iul n LEU 559 N 3.58 1.70 -4.63 0.00 4.77 -0.07 -4.31 117.00 118.05 3iul n LEU 559 Ca -0.20 -4.90 -0.42 0.00 -0.03 0.00 0.00 56.01 50.46 3iul n LEU 559 Cb 0.52 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3iul n LEU 559 CO 0.27 1.82 0.61 -2.16 -1.33 0.00 0.00 177.39 176.59 3iul s PRO 560 N -0.95 4.05 -0.14 3.23 0.04 -1.26 -3.09 135.00 136.89 3iul s PRO 560 Ca 0.29 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 3iul s PRO 560 Cb 0.00 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 3iul s PRO 560 CO -0.17 -0.61 -0.00 0.00 0.04 0.00 0.00 177.00 176.26 3iul s ALA 561 N 2.91 3.20 -1.56 8.56 0.00 -0.28 -2.19 121.76 132.40 3iul s ALA 561 Ca 0.33 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 3iul s ALA 561 Cb -0.15 -1.61 0.04 0.00 0.00 0.00 0.00 23.12 21.40 3iul s ALA 561 CO 0.10 0.35 0.09 0.28 0.00 0.00 0.00 175.76 176.58 3iul n VAL 562 N 3.01 -0.82 -2.40 0.00 0.31 -0.15 -0.45 118.33 117.83 3iul n VAL 562 Ca -0.18 -0.41 -0.31 0.00 -0.01 0.00 0.00 64.34 63.43 3iul n VAL 562 Cb 0.53 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.54 3iul n VAL 562 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iul s GLY 563 N -4.17 1.94 -0.40 2.92 0.00 -1.26 -2.53 107.32 103.81 3iul s GLY 563 Ca 0.12 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 3iul s GLY 563 CO 0.98 0.28 0.46 0.14 0.00 0.00 0.00 173.10 174.95 3iul s VAL 564 N -2.69 5.06 -0.00 1.40 1.01 -1.03 -4.41 120.40 119.73 3iul s VAL 564 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3iul s VAL 564 Cb -0.10 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 3iul s VAL 564 CO 0.36 -0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.27 3iul n LEU 565 N 5.67 0.00 -4.98 3.92 4.77 -1.26 -3.92 117.00 121.20 3iul n LEU 565 Ca -0.07 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 3iul n LEU 565 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3iul n LEU 565 CO 0.46 0.00 0.14 -0.62 -1.33 0.00 0.00 177.39 176.04 3iul s ASP 566 N -2.52 5.92 0.00 -1.43 -1.08 -1.26 -1.79 116.67 114.50 3iul s ASP 566 Ca -0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 3iul s ASP 566 Cb 0.00 -1.35 0.00 0.00 -1.46 0.00 0.00 42.92 40.11 3iul s ASP 566 CO 0.00 -0.53 0.00 0.18 0.52 0.00 0.00 175.17 175.34 3iul n LEU 568 N -1.80 0.00 0.00 -1.34 4.77 -1.26 -1.84 117.00 115.52 3iul n LEU 568 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3iul n LEU 568 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3iul n LEU 568 CO 0.44 0.00 0.29 0.54 -1.33 0.00 0.00 177.39 177.33 3iul n ARG 569 N 0.00 0.02 -0.23 3.23 1.74 -1.26 -4.50 116.66 115.66 3iul n ARG 569 Ca 0.00 -0.69 0.12 0.00 -0.77 0.00 0.00 57.85 56.51 3iul n ARG 569 Cb 0.00 -0.94 0.40 0.00 -1.02 0.00 0.00 32.46 30.90 3iul n ARG 569 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iul h TYR 570 N 0.00 0.73 0.00 -1.55 -0.00 -1.77 -1.23 116.97 113.15 3iul h TYR 570 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3iul h TYR 570 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 36.68 3iul h TYR 570 CO 0.00 0.30 0.00 -2.39 -0.00 0.00 0.00 178.16 176.07 3iul n HIS 571 N -4.52 0.72 0.91 0.10 1.44 -1.26 -2.32 115.22 110.29 3iul n HIS 571 Ca 0.15 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.26 3iul n HIS 571 Cb 0.43 -0.95 0.15 0.00 0.12 0.00 0.00 29.99 29.74 3iul n HIS 571 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3iul n THR 572 N -2.15 0.05 -2.34 0.61 -2.24 -0.47 -4.08 114.28 103.66 3iul n THR 572 Ca 0.02 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 3iul n THR 572 Cb 0.23 0.34 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 3iul n THR 572 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iul s PHE 573 N -3.04 2.93 0.01 4.78 0.08 -0.98 -4.96 117.98 116.80 3iul s PHE 573 Ca 0.09 0.33 -0.36 0.00 0.12 0.00 0.00 56.93 57.11 3iul s PHE 573 Cb 0.17 -3.04 -0.15 0.00 -0.57 0.00 0.00 43.02 39.43 3iul s PHE 573 CO 0.74 -1.22 1.57 2.41 -0.10 0.00 0.00 175.22 178.63 3iul n THR 574 N -2.74 0.15 -1.05 0.64 -1.04 -1.26 -0.97 114.28 108.01 3iul n THR 574 Ca 0.08 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 62.04 3iul n THR 574 Cb 0.60 -1.27 -0.01 0.00 -1.82 0.00 0.00 70.33 67.83 3iul n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iul n ALA 575 N 4.00 -0.03 0.20 2.41 0.00 -1.26 -4.64 120.51 121.19 3iul n ALA 575 Ca 0.20 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.74 3iul n ALA 575 Cb 0.22 -1.25 0.41 0.00 0.00 0.00 0.00 19.45 18.83 3iul n ALA 575 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iul h GLY 576 N 0.00 0.00 1.54 0.00 0.00 -1.21 -3.17 103.07 100.23 3iul h GLY 576 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3iul h GLY 576 CO 0.05 0.00 0.25 -0.91 0.00 0.00 0.00 176.54 175.93 3iul h THR 577 N 0.00 1.03 0.00 4.70 1.35 -1.79 -2.42 112.91 115.78 3iul h THR 577 Ca -0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 3iul h THR 577 Cb 0.76 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3iul h THR 577 CO 0.04 0.07 -0.05 1.23 -0.25 0.00 0.00 175.52 176.56 3iul h GLY 578 N 0.41 0.00 1.29 5.82 0.00 -1.95 -2.21 103.07 106.42 3iul h GLY 578 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3iul h GLY 578 CO -0.03 0.00 -0.36 0.79 0.00 0.00 0.00 176.54 176.94 3iul n TRP 579 N -3.42 0.02 0.07 5.60 7.02 -0.91 -4.32 117.44 121.50 3iul n TRP 579 Ca -0.02 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.56 3iul n TRP 579 Cb 0.18 -0.33 0.55 0.00 -2.42 0.00 0.00 31.31 29.29 3iul n TRP 579 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3iul h ALA 580 N 2.99 1.98 -0.76 6.99 0.00 -1.48 -2.60 119.26 126.38 3iul h ALA 580 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iul h ALA 580 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3iul h ALA 580 CO 0.00 -0.03 0.37 -0.92 0.00 0.00 0.00 179.25 178.66 3iul h TYR 581 N 0.26 1.10 0.07 0.00 3.20 -1.79 -0.07 116.97 119.74 3iul h TYR 581 Ca 0.14 -0.05 -0.21 0.00 3.14 0.00 0.00 58.73 61.75 3iul h TYR 581 Cb 0.23 -0.34 0.02 0.00 1.54 0.00 0.00 36.73 38.18 3iul h TYR 581 CO -0.00 0.80 -0.85 -0.44 -1.64 0.00 0.00 178.16 176.04 3iul h ASP 582 N 1.07 0.63 0.14 -2.11 3.45 -1.83 -3.41 116.42 114.36 3iul h ASP 582 Ca 0.26 -0.83 -0.36 0.00 0.43 0.00 0.00 57.03 56.54 3iul h ASP 582 Cb 0.12 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3iul h ASP 582 CO -0.03 1.39 -1.90 1.88 -1.57 0.00 0.00 179.24 179.01 3iul h TYR 583 N -0.05 0.54 0.00 4.55 0.05 -1.43 0.95 116.97 121.58 3iul h TYR 583 Ca -0.13 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.26 3iul h TYR 583 Cb 1.58 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.30 3iul h TYR 583 CO 0.15 1.75 0.00 0.41 -1.05 0.00 0.00 178.16 179.42 3iul n GLY 584 N 1.94 -0.31 3.37 3.88 0.00 -0.05 -4.11 105.19 109.92 3iul n GLY 584 Ca -0.30 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 3iul n GLY 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iul s THR 585 N -2.26 1.70 -1.66 2.61 -4.23 -1.26 -4.84 115.64 105.69 3iul s THR 585 Ca 0.00 -2.18 0.14 0.00 -1.18 0.00 0.00 61.69 58.47 3iul s THR 585 Cb 0.00 -2.19 0.32 0.00 1.34 0.00 0.00 72.50 71.97 3iul s THR 585 CO 0.00 -0.49 1.34 -1.54 -0.54 0.00 0.00 174.62 173.39 3iul n SER 586 N -0.45 0.00 -0.27 3.99 3.41 -1.26 -1.96 113.62 117.07 3iul n SER 586 Ca -0.07 -0.14 0.08 0.00 -0.26 0.00 0.00 58.87 58.48 3iul n SER 586 Cb 0.61 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3iul n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iul n ALA 587 N -1.17 3.51 -0.10 7.33 0.00 -1.26 -4.49 120.51 124.32 3iul n ALA 587 Ca 0.08 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 3iul n ALA 587 Cb 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3iul n ALA 587 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iul h ASP 588 N 1.35 0.46 -5.69 0.00 3.32 -1.81 -3.48 116.42 110.57 3iul h ASP 588 Ca 0.00 -0.22 0.30 0.00 0.02 0.00 0.00 57.03 57.12 3iul h ASP 588 Cb 0.53 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 39.86 3iul h ASP 588 CO 0.00 0.56 0.77 -0.94 -1.72 0.00 0.00 179.24 177.92 3iul s SER 589 N -5.85 -0.06 0.31 6.45 1.04 -1.26 -5.02 113.70 109.30 3iul s SER 589 Ca -0.13 -0.23 0.10 0.00 0.48 0.00 0.00 55.95 56.17 3iul s SER 589 Cb 0.09 0.23 0.48 0.00 0.10 0.00 0.00 66.02 66.92 3iul s SER 589 CO 0.74 -0.44 1.69 -0.08 0.98 0.00 0.00 173.24 176.13 3iul h GLU 590 N 2.00 0.06 -0.74 4.02 4.81 -1.92 -0.67 114.58 122.14 3iul h GLU 590 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3iul h GLU 590 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3iul h GLU 590 CO 0.29 0.55 0.00 0.00 -0.73 0.00 0.00 179.01 179.12 3iul n ALA 591 N -2.45 1.82 0.00 2.92 0.00 -1.26 -0.42 120.51 121.12 3iul n ALA 591 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3iul n ALA 591 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3iul n ALA 591 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iul n PHE 593 N 0.37 0.00 -0.13 0.00 7.35 -0.26 -1.71 117.46 123.07 3iul n PHE 593 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 3iul n PHE 593 Cb 0.16 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.20 3iul n PHE 593 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3iul h ASP 594 N 0.00 0.76 -0.08 -2.13 3.32 -1.00 -0.87 116.42 116.42 3iul h ASP 594 Ca 0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3iul h ASP 594 Cb 0.00 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3iul h ASP 594 CO 0.00 0.71 -0.04 0.22 -1.72 0.00 0.00 179.24 178.42 3iul h TYR 595 N 0.81 0.19 -0.22 4.55 3.20 -1.58 -1.63 116.97 122.30 3iul h TYR 595 Ca 0.19 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3iul h TYR 595 Cb 0.23 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3iul h TYR 595 CO 0.01 0.53 0.11 -0.07 -1.64 0.00 0.00 178.16 177.10 3iul h LEU 596 N -0.20 0.18 -1.98 2.82 3.38 -1.79 -1.36 115.31 116.36 3iul h LEU 596 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3iul h LEU 596 Cb 0.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3iul h LEU 596 CO 0.01 0.13 -0.10 0.50 0.09 0.00 0.00 178.44 179.07 3iul h LYS 597 N 0.24 0.00 0.00 1.13 3.64 -1.18 0.17 116.57 120.57 3iul h LYS 597 Ca 0.09 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3iul h LYS 597 Cb 0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3iul h LYS 597 CO -0.05 0.10 -0.15 0.78 -2.27 0.00 0.00 179.45 177.86 3iul h GLY 598 N 0.52 0.00 0.00 5.01 0.00 -0.22 -3.31 103.07 105.07 3iul h GLY 598 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iul h GLY 598 CO 0.01 0.00 -0.10 1.58 0.00 0.00 0.00 176.54 178.03 3iul n TYR 599 N -4.25 0.00 -1.54 5.60 0.18 -0.82 -5.00 117.16 111.33 3iul n TYR 599 Ca -0.02 0.00 -0.57 0.00 1.88 0.00 0.00 57.90 59.18 3iul n TYR 599 Cb 0.22 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.09 3iul n TYR 599 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3iul n SER 600 N -0.87 1.86 -0.20 9.48 2.88 0.52 -4.70 113.62 122.60 3iul n SER 600 Ca 0.00 0.82 0.01 0.00 -1.33 0.00 0.00 58.87 58.36 3iul n SER 600 Cb 0.00 -1.10 0.11 0.00 -0.75 0.00 0.00 64.21 62.47 3iul n SER 600 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iul h PRO 601 N 8.85 0.17 -0.74 -1.46 0.11 -1.82 -1.87 132.00 135.23 3iul h PRO 601 Ca -0.33 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.83 3iul h PRO 601 Cb 1.35 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 3iul h PRO 601 CO 1.01 0.11 0.43 1.25 -0.21 0.00 0.00 178.00 180.59 3iul h LEU 602 N 0.18 0.65 -0.33 2.35 5.85 -1.67 -2.19 115.31 120.15 3iul h LEU 602 Ca 0.32 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3iul h LEU 602 Cb 0.51 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3iul h LEU 602 CO -0.47 0.42 -0.09 1.41 -0.34 0.00 0.00 178.44 179.37 3iul n HIS 603 N -4.73 0.00 0.23 1.25 8.25 -0.91 -3.66 115.22 115.65 3iul n HIS 603 Ca 0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.62 3iul n HIS 603 Cb 0.18 -0.12 0.10 0.00 1.12 0.00 0.00 29.99 31.27 3iul n HIS 603 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3iul n ASN 604 N -0.76 2.41 -4.74 0.41 3.02 -0.75 -4.94 115.26 109.91 3iul n ASN 604 Ca 0.16 -1.70 -0.41 0.00 -0.03 0.00 0.00 54.58 52.60 3iul n ASN 604 Cb 0.27 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 3iul n ASN 604 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iul s VAL 605 N -1.01 3.72 -0.04 2.41 1.01 -1.10 -4.89 120.40 120.50 3iul s VAL 605 Ca 0.19 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.69 3iul s VAL 605 Cb 0.11 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 3iul s VAL 605 CO 0.16 0.26 -0.14 -0.13 0.00 0.00 0.00 175.10 175.25 3iul s ARG 606 N -0.44 1.48 0.37 2.72 0.52 -1.26 -5.08 118.95 117.26 3iul s ARG 606 Ca 0.50 -0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 54.93 3iul s ARG 606 Cb -0.31 -1.32 -0.11 0.00 0.52 0.00 0.00 34.95 33.73 3iul s ARG 606 CO 0.36 0.20 1.44 -2.30 0.02 0.00 0.00 175.30 175.03 3iul n PRO 607 N 3.17 2.54 -0.31 3.54 -0.02 -1.26 -2.33 135.00 140.33 3iul n PRO 607 Ca -0.18 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3iul n PRO 607 Cb 0.53 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3iul n PRO 607 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iul n GLY 608 N 0.55 1.37 3.85 -1.23 0.00 -0.69 -5.01 105.19 104.02 3iul n GLY 608 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3iul n GLY 608 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iul s VAL 609 N -2.93 4.83 -0.42 1.61 1.01 -0.99 -4.64 120.40 118.87 3iul s VAL 609 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 3iul s VAL 609 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3iul s VAL 609 CO 0.00 0.16 0.38 -0.55 0.00 0.00 0.00 175.10 175.09 3iul s SER 610 N -1.85 6.16 0.35 3.32 0.15 -1.26 -1.07 113.70 119.50 3iul s SER 610 Ca 0.41 -0.79 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 3iul s SER 610 Cb -0.14 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3iul s SER 610 CO 0.20 -0.53 0.61 -0.31 1.20 0.00 0.00 173.24 174.40 3iul s TYR 611 N 1.94 3.50 1.03 3.44 2.02 -1.26 -4.76 117.35 123.26 3iul s TYR 611 Ca 0.09 0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 57.29 3iul s TYR 611 Cb -0.18 -2.11 0.21 0.00 -0.40 0.00 0.00 41.96 39.48 3iul s TYR 611 CO 0.12 0.05 1.08 -1.25 -1.57 0.00 0.00 175.55 173.98 3iul s PRO 612 N -4.01 0.14 0.23 -1.71 0.04 -1.26 -4.60 135.00 123.83 3iul s PRO 612 Ca 0.44 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 3iul s PRO 612 Cb -0.10 -1.69 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3iul s PRO 612 CO 0.35 -2.97 1.50 -1.12 0.04 0.00 0.00 177.00 174.80 3iul s SER 613 N -3.16 6.59 0.00 6.66 0.01 -0.60 -4.79 113.70 118.40 3iul s SER 613 Ca 0.66 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.62 3iul s SER 613 Cb -0.20 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.41 3iul s SER 613 CO 0.60 -0.77 0.00 0.41 0.41 0.00 0.00 173.24 173.88 3iul n THR 614 N 2.80 0.00 -3.64 1.44 -1.04 -0.53 -0.53 114.28 112.79 3iul n THR 614 Ca 0.09 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.00 3iul n THR 614 Cb 0.39 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.83 3iul n THR 614 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3iul s VAL 616 N -0.98 0.00 0.03 12.58 1.01 0.33 -1.12 120.40 132.25 3iul s VAL 616 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3iul s VAL 616 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3iul s VAL 616 CO 0.00 0.00 -0.17 0.42 0.00 0.00 0.00 175.10 175.35 3iul s THR 617 N 0.79 1.37 -0.03 3.92 -4.23 -0.93 -0.08 115.64 116.45 3iul s THR 617 Ca -0.03 -0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 59.20 3iul s THR 617 Cb -0.05 -1.19 0.11 0.00 1.34 0.00 0.00 72.50 72.71 3iul s THR 617 CO -0.08 0.19 0.94 0.28 -0.54 0.00 0.00 174.62 175.41 3iul s THR 618 N -0.69 0.00 0.59 3.99 -1.32 -1.05 -0.97 115.64 116.18 3iul s THR 618 Ca 0.05 -0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.46 3iul s THR 618 Cb -0.08 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3iul s THR 618 CO 0.01 0.00 0.90 0.00 -2.21 0.00 0.00 174.62 173.32 3iul s ALA 619 N -3.00 3.29 0.01 11.08 0.00 -1.26 -0.35 121.76 131.52 3iul s ALA 619 Ca 0.06 -0.65 0.24 0.00 0.00 0.00 0.00 51.96 51.61 3iul s ALA 619 Cb -0.01 -2.63 0.78 0.00 0.00 0.00 0.00 23.12 21.26 3iul s ALA 619 CO -0.08 -0.78 1.76 0.38 0.00 0.00 0.00 175.76 177.05 3iul h ASP 620 N -0.17 0.00 -3.52 0.00 2.03 -0.66 -3.43 116.42 110.67 3iul h ASP 620 Ca -0.45 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 55.62 3iul h ASP 620 Cb 1.25 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.45 3iul h ASP 620 CO 0.61 0.20 -0.59 -1.00 -1.03 0.00 0.00 179.24 177.43 3iul s HIS 621 N -3.49 -0.16 -0.26 4.15 3.76 -1.26 -4.84 115.29 113.19 3iul s HIS 621 Ca 0.02 0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 55.26 3iul s HIS 621 Cb 0.09 -0.05 0.09 0.00 1.11 0.00 0.00 32.58 33.83 3iul s HIS 621 CO 0.64 -0.14 0.61 0.34 -0.85 0.00 0.00 174.74 175.34 3iul s ASP 622 N 0.88 -0.88 0.00 1.40 3.68 -1.26 -4.99 116.67 115.49 3iul s ASP 622 Ca -0.07 1.40 0.25 0.00 2.13 0.00 0.00 52.55 56.27 3iul s ASP 622 Cb -0.09 1.60 0.59 0.00 -1.45 0.00 0.00 42.92 43.57 3iul s ASP 622 CO -0.04 -0.23 1.46 0.47 0.13 0.00 0.00 175.17 176.96 3iul n ASP 623 N 4.78 0.78 -0.06 -0.34 8.00 -1.26 -3.54 116.55 124.91 3iul n ASP 623 Ca -0.17 -0.58 -0.05 0.00 0.71 0.00 0.00 54.79 54.70 3iul n ASP 623 Cb 0.54 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 3iul n ASP 623 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3iul h ARG 624 N 0.58 0.00 -3.91 -1.24 3.08 -1.96 -3.39 114.38 107.54 3iul h ARG 624 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3iul h ARG 624 Cb 0.51 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.16 3iul h ARG 624 CO 0.00 0.25 -0.77 0.08 -1.07 0.00 0.00 179.97 178.46 3iul s VAL 625 N -1.83 1.09 0.46 2.04 1.01 -1.26 -4.81 120.40 117.09 3iul s VAL 625 Ca -0.07 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 3iul s VAL 625 Cb 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 3iul s VAL 625 CO 0.20 -0.32 1.41 1.33 0.00 0.00 0.00 175.10 177.72 3iul n VAL 626 N 4.81 2.85 0.28 2.92 0.24 -1.23 -4.63 118.33 123.56 3iul n VAL 626 Ca -0.07 -0.50 0.17 0.00 -2.04 0.00 0.00 64.34 61.89 3iul n VAL 626 Cb 0.44 -1.80 0.93 0.00 -1.47 0.00 0.00 33.84 31.94 3iul n VAL 626 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3iul h PRO 627 N 2.20 0.00 -0.95 7.34 0.11 -1.85 -2.90 132.00 135.95 3iul h PRO 627 Ca -0.50 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.90 3iul h PRO 627 Cb 1.27 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.22 3iul h PRO 627 CO 0.61 0.00 0.26 0.00 -0.21 0.00 0.00 178.00 178.66 3iul h ALA 628 N 1.90 1.49 0.34 -0.75 0.00 -1.83 0.87 119.26 121.28 3iul h ALA 628 Ca 0.03 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3iul h ALA 628 Cb 0.18 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3iul h ALA 628 CO -0.00 -0.61 -0.34 0.45 0.00 0.00 0.00 179.25 178.75 3iul h HIS 629 N 0.12 -0.92 -0.57 0.00 3.86 -1.80 -1.44 115.15 114.40 3iul h HIS 629 Ca 0.64 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.75 3iul h HIS 629 Cb 1.43 0.36 -0.02 0.00 1.06 0.00 0.00 27.41 30.24 3iul h HIS 629 CO -0.26 -0.48 -0.07 0.77 0.86 0.00 0.00 177.93 178.75 3iul h SER 630 N -0.70 1.05 0.13 2.45 0.02 -1.35 -2.20 113.55 112.94 3iul h SER 630 Ca -0.02 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3iul h SER 630 Cb 0.64 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 3iul h SER 630 CO -0.06 1.13 -0.09 -0.26 -1.14 0.00 0.00 176.83 176.41 3iul h PHE 631 N 0.94 -0.23 -0.36 3.45 0.04 -0.78 -0.55 116.94 119.46 3iul h PHE 631 Ca 0.15 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.81 3iul h PHE 631 Cb 0.64 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 3iul h PHE 631 CO 0.04 -0.14 -0.24 0.87 -0.60 0.00 0.00 178.31 178.25 3iul h LYS 632 N -0.22 0.72 -0.18 1.51 1.57 -1.29 -1.32 116.57 117.36 3iul h LYS 632 Ca -0.01 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 3iul h LYS 632 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3iul h LYS 632 CO 0.00 0.89 0.05 0.35 -0.57 0.00 0.00 179.45 180.17 3iul h PHE 633 N 0.62 0.29 -0.41 -1.35 3.57 -1.25 -0.95 116.94 117.45 3iul h PHE 633 Ca 0.09 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3iul h PHE 633 Cb 0.73 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3iul h PHE 633 CO 0.04 0.39 0.21 0.00 -2.23 0.00 0.00 178.31 176.71 3iul h ALA 634 N 0.87 0.53 -0.78 2.41 0.00 -1.01 -0.38 119.26 120.89 3iul h ALA 634 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3iul h ALA 634 Cb 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3iul h ALA 634 CO -0.00 0.08 0.49 0.00 0.00 0.00 0.00 179.25 179.82 3iul h ALA 635 N 1.05 1.04 -0.43 0.00 0.00 -1.12 -0.92 119.26 118.88 3iul h ALA 635 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3iul h ALA 635 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3iul h ALA 635 CO -0.02 0.27 -0.08 1.15 0.00 0.00 0.00 179.25 180.57 3iul h THR 636 N 0.94 1.27 -0.76 0.00 2.02 -0.82 -1.61 112.91 113.94 3iul h THR 636 Ca 0.32 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 3iul h THR 636 Cb 0.06 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3iul h THR 636 CO -0.13 0.40 0.32 -0.07 0.37 0.00 0.00 175.52 176.41 3iul h LEU 637 N 0.65 1.04 -0.80 2.58 3.38 -0.67 -0.37 115.31 121.11 3iul h LEU 637 Ca 0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3iul h LEU 637 Cb 0.61 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3iul h LEU 637 CO 0.04 0.92 -0.08 1.56 0.09 0.00 0.00 178.44 180.97 3iul h GLN 638 N 1.09 0.82 -0.13 1.13 4.20 -1.02 -0.18 115.11 121.02 3iul h GLN 638 Ca 0.26 -0.26 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 3iul h GLN 638 Cb 0.19 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3iul h GLN 638 CO -0.02 0.87 -0.66 0.00 -0.67 0.00 0.00 178.83 178.35 3iul h ALA 639 N 1.16 0.59 0.00 3.87 0.00 -0.99 -3.38 119.26 120.52 3iul h ALA 639 Ca 0.13 -0.57 -0.30 0.00 0.00 0.00 0.00 54.91 54.18 3iul h ALA 639 Cb 0.56 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3iul h ALA 639 CO 0.03 0.72 -2.02 -0.25 0.00 0.00 0.00 179.25 177.74 3iul n ASP 640 N -3.90 0.41 -4.69 0.00 9.92 -0.17 -4.96 116.55 113.15 3iul n ASP 640 Ca -0.04 0.19 -0.44 0.00 -0.53 0.00 0.00 54.79 53.97 3iul n ASP 640 Cb 0.67 0.59 -0.03 0.00 -0.64 0.00 0.00 41.12 41.70 3iul n ASP 640 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3iul n ASN 641 N -2.84 3.40 -0.02 -2.24 5.15 -0.09 -1.70 115.26 116.91 3iul n ASN 641 Ca -0.23 1.09 0.05 0.00 -0.60 0.00 0.00 54.58 54.89 3iul n ASN 641 Cb 1.05 -1.49 -0.13 0.00 -0.53 0.00 0.00 39.78 38.68 3iul n ASN 641 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iul n ALA 642 N 3.20 2.40 -1.57 5.20 0.00 -0.23 -4.82 120.51 124.68 3iul n ALA 642 Ca 0.15 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 3iul n ALA 642 Cb 0.32 -0.47 0.20 0.00 0.00 0.00 0.00 19.45 19.50 3iul n ALA 642 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iul n GLY 643 N 1.65 -1.92 0.12 0.00 0.00 -1.26 -4.95 105.19 98.82 3iul n GLY 643 Ca -0.08 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.45 3iul n GLY 643 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iul n PRO 644 N -3.92 0.72 -2.76 1.61 -0.04 -1.26 -4.91 135.00 124.45 3iul n PRO 644 Ca 0.15 -0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 3iul n PRO 644 Cb 0.53 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 3iul n PRO 644 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iul s HIS 645 N -2.44 3.87 0.37 0.54 3.76 -1.26 -5.00 115.29 115.12 3iul s HIS 645 Ca 0.30 1.82 -0.27 0.00 -0.15 0.00 0.00 55.06 56.76 3iul s HIS 645 Cb 0.20 -3.01 -0.09 0.00 1.11 0.00 0.00 32.58 30.79 3iul s HIS 645 CO 0.47 0.31 1.17 -1.25 -0.85 0.00 0.00 174.74 174.59 3iul s PRO 646 N -0.45 4.22 -0.41 8.40 0.04 -1.26 -4.82 135.00 140.72 3iul s PRO 646 Ca 0.44 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.37 3iul s PRO 646 Cb -0.24 -2.83 0.11 0.00 0.04 0.00 0.00 34.50 31.58 3iul s PRO 646 CO 0.30 -0.19 0.16 -0.65 0.04 0.00 0.00 177.00 176.66 3iul s GLN 647 N -2.06 1.79 0.23 4.56 -1.52 -1.26 -1.45 119.66 119.95 3iul s GLN 647 Ca 0.53 -2.02 0.09 0.00 -1.95 0.00 0.00 55.36 52.01 3iul s GLN 647 Cb -0.32 -3.38 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 3iul s GLN 647 CO 0.41 -1.02 -0.03 -0.51 -0.25 0.00 0.00 175.29 173.88 3iul s LEU 648 N 0.72 3.14 -0.05 2.90 1.43 -0.27 -4.76 118.68 121.79 3iul s LEU 648 Ca 0.12 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3iul s LEU 648 Cb -0.21 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3iul s LEU 648 CO -0.05 0.04 -0.09 -0.51 0.23 0.00 0.00 176.35 175.96 3iul s ILE 649 N -2.09 0.88 -0.31 -0.59 2.07 -1.26 -0.51 121.20 119.39 3iul s ILE 649 Ca 0.29 -0.35 -0.05 0.00 -1.41 0.00 0.00 60.65 59.14 3iul s ILE 649 Cb -0.07 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.72 3iul s ILE 649 CO 0.18 0.29 0.05 -0.60 -1.91 0.00 0.00 174.94 172.96 3iul s ARG 650 N 0.64 2.68 -0.30 3.50 3.52 0.89 -4.47 118.95 125.39 3iul s ARG 650 Ca -0.11 -1.12 -0.09 0.00 -0.13 0.00 0.00 55.73 54.27 3iul s ARG 650 Cb -0.14 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3iul s ARG 650 CO 0.02 -0.58 0.14 0.42 -0.81 0.00 0.00 175.30 174.49 3iul s ILE 651 N 1.37 4.48 -0.01 4.11 1.01 -1.26 -2.53 121.20 128.37 3iul s ILE 651 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 3iul s ILE 651 Cb -0.19 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3iul s ILE 651 CO 0.01 0.09 1.12 -1.61 0.00 0.00 0.00 174.94 174.54 3iul s GLU 652 N 1.60 4.44 -0.13 2.79 0.41 0.53 -4.80 118.70 123.54 3iul s GLU 652 Ca 0.04 1.60 0.15 0.00 -0.41 0.00 0.00 54.97 56.36 3iul s GLU 652 Cb -0.17 -3.46 0.44 0.00 -1.78 0.00 0.00 34.13 29.17 3iul s GLU 652 CO 0.05 -0.26 1.34 0.25 -0.49 0.00 0.00 175.26 176.16 3iul n THR 653 N 4.18 1.97 0.00 3.63 -2.24 -1.26 0.09 114.28 120.64 3iul n THR 653 Ca 0.09 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 3iul n THR 653 Cb 0.48 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3iul n THR 653 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3iul n PRO 662 N -0.44 0.00 0.21 -0.78 -0.02 -1.26 -5.01 135.00 127.70 3iul n PRO 662 Ca 0.18 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 3iul n PRO 662 Cb 0.76 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.83 3iul n PRO 662 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3iul h VAL 663 N 0.00 1.02 -0.59 -1.45 -1.51 -2.05 -1.54 116.25 110.14 3iul h VAL 663 Ca 0.00 -0.05 0.01 0.00 -1.23 0.00 0.00 66.70 65.43 3iul h VAL 663 Cb 0.00 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 30.04 3iul h VAL 663 CO 0.00 0.02 0.39 0.00 -1.23 0.00 0.00 177.57 176.75 3iul h ALA 664 N 1.95 0.75 -0.25 5.19 0.00 -2.03 0.26 119.26 125.12 3iul h ALA 664 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3iul h ALA 664 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3iul h ALA 664 CO -0.01 0.17 -0.46 0.87 0.00 0.00 0.00 179.25 179.82 3iul h LYS 665 N 0.79 0.64 -0.62 0.00 1.57 -1.75 -1.61 116.57 115.59 3iul h LYS 665 Ca 0.22 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3iul h LYS 665 Cb -0.08 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3iul h LYS 665 CO -0.05 0.97 0.10 -0.07 -0.57 0.00 0.00 179.45 179.83 3iul h LEU 666 N 0.51 0.98 -0.09 2.94 3.38 -0.76 -0.77 115.31 121.50 3iul h LEU 666 Ca 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3iul h LEU 666 Cb 1.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3iul h LEU 666 CO 0.09 0.99 0.05 0.40 0.09 0.00 0.00 178.44 180.07 3iul h ILE 667 N 0.93 1.09 -0.38 1.22 2.04 -0.39 -1.75 117.51 120.27 3iul h ILE 667 Ca 0.19 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3iul h ILE 667 Cb 0.43 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3iul h ILE 667 CO 0.01 0.08 0.12 -0.08 0.00 0.00 0.00 178.15 178.28 3iul h GLU 668 N 0.05 0.26 -0.50 2.37 4.57 -1.11 -0.74 114.58 119.49 3iul h GLU 668 Ca 0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3iul h GLU 668 Cb 0.09 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3iul h GLU 668 CO -0.00 0.17 0.32 0.37 -1.18 0.00 0.00 179.01 178.69 3iul h GLN 669 N 0.27 0.66 -0.52 1.92 4.15 -0.97 -1.15 115.11 119.48 3iul h GLN 669 Ca 0.18 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3iul h GLN 669 Cb 0.17 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3iul h GLN 669 CO -0.19 0.46 0.19 0.77 -1.93 0.00 0.00 178.83 178.13 3iul h SER 670 N 0.67 0.72 -0.08 -0.69 0.02 -0.93 -1.98 113.55 111.28 3iul h SER 670 Ca 0.18 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3iul h SER 670 Cb -0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3iul h SER 670 CO -0.04 0.71 -0.03 0.00 -1.14 0.00 0.00 176.83 176.33 3iul h ALA 671 N 1.04 0.04 -0.61 3.77 0.00 -0.90 -1.42 119.26 121.18 3iul h ALA 671 Ca 0.17 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3iul h ALA 671 Cb 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3iul h ALA 671 CO -0.01 -0.50 0.37 -0.44 0.00 0.00 0.00 179.25 178.67 3iul h ASP 672 N -0.02 0.59 -0.19 0.00 3.32 -1.09 0.60 116.42 119.62 3iul h ASP 672 Ca 0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3iul h ASP 672 Cb 0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3iul h ASP 672 CO -0.10 0.41 0.06 0.40 -1.72 0.00 0.00 179.24 178.29 3iul h ILE 673 N 0.72 1.19 -0.38 0.35 2.04 -1.17 0.50 117.51 120.76 3iul h ILE 673 Ca 0.25 -0.60 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 3iul h ILE 673 Cb 0.04 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3iul h ILE 673 CO -0.11 0.19 -0.36 1.88 0.00 0.00 0.00 178.15 179.75 3iul h TYR 674 N 0.13 1.06 -0.03 1.37 0.05 -1.11 -0.39 116.97 118.05 3iul h TYR 674 Ca 0.06 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 3iul h TYR 674 Cb 0.24 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3iul h TYR 674 CO 0.00 1.11 0.01 0.00 -1.05 0.00 0.00 178.16 178.24 3iul h ALA 675 N 0.85 0.04 -0.41 3.88 0.00 -0.84 -1.31 119.26 121.46 3iul h ALA 675 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3iul h ALA 675 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3iul h ALA 675 CO 0.09 -0.40 0.20 0.35 0.00 0.00 0.00 179.25 179.49 3iul h PHE 676 N -0.08 0.37 -0.19 0.00 3.57 -0.85 -0.51 116.94 119.25 3iul h PHE 676 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3iul h PHE 676 Cb 0.13 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3iul h PHE 676 CO -0.03 0.19 0.12 1.15 -2.23 0.00 0.00 178.31 177.51 3iul h THR 677 N 0.41 1.05 -0.54 4.41 2.02 -0.86 -0.01 112.91 119.38 3iul h THR 677 Ca 0.18 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 3iul h THR 677 Cb 0.09 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3iul h THR 677 CO -0.13 0.05 0.08 -0.07 0.37 0.00 0.00 175.52 175.82 3iul h LEU 678 N 0.25 0.86 -0.67 2.58 3.38 -1.12 -3.06 115.31 117.53 3iul h LEU 678 Ca 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3iul h LEU 678 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3iul h LEU 678 CO -0.02 0.91 0.33 0.22 0.09 0.00 0.00 178.44 179.97 3iul h TYR 679 N 0.78 0.97 0.00 1.13 3.20 -0.85 -2.40 116.97 119.80 3iul h TYR 679 Ca 0.16 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3iul h TYR 679 Cb 0.42 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3iul h TYR 679 CO 0.03 0.72 0.04 0.39 -1.64 0.00 0.00 178.16 177.69 3iul n GLU 680 N -4.47 0.85 0.00 1.82 -0.58 -0.04 -4.10 120.64 114.12 3iul n GLU 680 Ca 0.05 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 3iul n GLU 680 Cb 0.12 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 3iul n GLU 680 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iul n GLY 682 N 2.44 0.34 3.69 0.62 0.00 -1.10 -4.99 105.19 106.18 3iul n GLY 682 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3iul n GLY 682 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iul s TYR 683 N -0.01 2.78 -0.69 1.61 2.02 -0.92 -4.87 117.35 117.28 3iul s TYR 683 Ca 0.00 0.75 0.22 0.00 -0.37 0.00 0.00 57.07 57.66 3iul s TYR 683 Cb 0.00 -3.70 -0.17 0.00 -0.40 0.00 0.00 41.96 37.69 3iul s TYR 683 CO 0.00 -2.64 0.84 0.54 -1.57 0.00 0.00 175.55 172.72 3iul n ARG 684 N 5.43 0.22 -4.06 -0.62 1.74 -1.26 -4.43 116.66 113.68 3iul n ARG 684 Ca 0.14 -0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 3iul n ARG 684 Cb 0.43 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 3iul n ARG 684 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3iul s GLU 685 N -3.17 1.11 0.48 5.56 -1.05 -1.26 -4.83 118.70 115.55 3iul s GLU 685 Ca 0.03 -1.34 -0.24 0.00 -0.15 0.00 0.00 54.97 53.28 3iul s GLU 685 Cb 0.15 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 34.09 3iul s GLU 685 CO 0.86 -0.38 1.40 1.28 0.95 0.00 0.00 175.26 179.38 3iul n LEU 686 N -0.19 5.20 -4.42 1.83 4.77 -1.26 -4.88 117.00 118.04 3iul n LEU 686 Ca -0.05 1.08 -0.45 0.00 -0.03 0.00 0.00 56.01 56.56 3iul n LEU 686 Cb 0.64 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 3iul n LEU 686 CO 0.28 -0.30 0.00 -2.65 -1.33 0.00 0.00 177.39 173.38 3iul n PRO 687 N -0.43 0.31 0.00 3.23 -0.02 -1.26 -5.15 135.00 131.68 3iul n PRO 687 Ca 0.07 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3iul n PRO 687 Cb 0.42 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3iul n PRO 687 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02