#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itk s PHE 2 N 0.00 3.63 -0.16 3.17 5.36 -1.26 -5.06 117.98 123.66 3itk s PHE 2 Ca 0.00 1.19 0.01 0.00 -0.96 0.00 0.00 56.93 57.18 3itk s PHE 2 Cb 0.00 -2.68 0.01 0.00 -0.34 0.00 0.00 43.02 40.01 3itk s PHE 2 CO 0.00 0.23 -0.19 -2.00 -1.46 0.00 0.00 175.22 171.80 3itk s GLU 3 N 0.27 3.07 -0.17 10.12 2.12 -1.26 -4.67 118.70 128.18 3itk s GLU 3 Ca 0.33 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 3itk s GLU 3 Cb -0.18 -2.54 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 3itk s GLU 3 CO 0.17 -0.06 1.09 0.42 -0.54 0.00 0.00 175.26 176.34 3itk s ILE 4 N 0.96 4.58 -0.00 -3.70 1.01 -1.26 -4.88 121.20 117.91 3itk s ILE 4 Ca -0.03 1.90 0.01 0.00 0.00 0.00 0.00 60.65 62.53 3itk s ILE 4 Cb -0.15 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3itk s ILE 4 CO -0.04 -0.11 0.02 0.29 0.00 0.00 0.00 174.94 175.10 3itk n LYS 5 N 5.94 1.25 -4.26 2.79 5.02 -1.26 -4.87 118.16 122.77 3itk n LYS 5 Ca 0.11 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 3itk n LYS 5 Cb 0.46 -1.03 -0.17 0.00 -0.02 0.00 0.00 35.03 34.28 3itk n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3itk s LYS 6 N -2.06 1.17 -0.04 1.97 1.02 -1.26 -1.15 119.74 119.39 3itk s LYS 6 Ca -0.00 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.84 3itk s LYS 6 Cb 0.01 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.19 3itk s LYS 6 CO 0.04 -0.07 -0.23 0.42 -0.92 0.00 0.00 175.35 174.59 3itk s ILE 7 N 0.96 2.29 -0.05 2.17 1.01 0.07 -0.57 121.20 127.07 3itk s ILE 7 Ca -0.10 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.61 3itk s ILE 7 Cb -0.15 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3itk s ILE 7 CO 0.00 0.58 -0.24 0.00 0.00 0.00 0.00 174.94 175.28 3itk s ILE 10 N 1.23 4.32 0.00 0.00 1.01 0.06 -0.56 121.20 127.26 3itk s ILE 10 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.07 3itk s ILE 10 Cb -0.17 -4.57 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3itk s ILE 10 CO -0.08 -1.14 0.00 0.61 0.00 0.00 0.00 174.94 174.33 3itk n GLY 11 N 5.09 2.74 1.85 6.18 0.00 0.03 -1.32 105.19 119.76 3itk n GLY 11 Ca 0.04 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 3itk n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk n ALA 12 N 0.00 5.25 -1.26 4.61 0.00 -1.25 -4.30 120.51 123.56 3itk n ALA 12 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.25 3itk n ALA 12 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3itk n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itk n GLY 13 N -1.06 0.35 0.23 0.00 0.00 -1.26 -4.53 105.19 98.92 3itk n GLY 13 Ca 0.50 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.88 3itk n GLY 13 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itk h TYR 14 N 0.00 0.00 0.00 1.61 3.20 -1.95 -2.17 116.97 117.67 3itk h TYR 14 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3itk h TYR 14 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3itk h TYR 14 CO 0.00 0.16 -0.12 0.28 -1.64 0.00 0.00 178.16 176.84 3itk h VAL 15 N 0.00 0.00 -0.91 1.81 2.07 -1.93 -3.39 116.25 113.91 3itk h VAL 15 Ca -0.00 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3itk h VAL 15 Cb 0.29 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 3itk h VAL 15 CO 0.02 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.44 3itk h GLY 16 N -0.62 1.30 0.89 2.17 0.00 -1.75 -2.27 103.07 102.80 3itk h GLY 16 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3itk h GLY 16 CO 0.00 0.44 -0.37 -1.33 0.00 0.00 0.00 176.54 175.27 3itk h GLY 17 N 1.20 -1.08 0.92 4.60 0.00 -1.58 -1.70 103.07 105.42 3itk h GLY 17 Ca 0.34 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 3itk h GLY 17 CO -0.09 -0.39 0.10 -2.55 0.00 0.00 0.00 176.54 173.61 3itk h PRO 18 N -1.16 0.33 -0.43 4.80 0.11 -1.74 -0.66 132.00 133.24 3itk h PRO 18 Ca -0.11 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.02 3itk h PRO 18 Cb 0.81 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.80 3itk h PRO 18 CO 0.17 0.35 0.08 1.15 -0.21 0.00 0.00 178.00 179.54 3itk h THR 19 N 0.22 0.76 -0.19 -1.15 2.02 -1.44 -0.98 112.91 112.15 3itk h THR 19 Ca 0.08 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 3itk h THR 19 Cb 0.13 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3itk h THR 19 CO -0.01 0.04 -0.49 0.00 0.37 0.00 0.00 175.52 175.43 3itk h SER 21 N 0.41 0.73 -0.30 0.00 0.02 -0.45 -0.18 113.55 113.78 3itk h SER 21 Ca 0.02 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 3itk h SER 21 Cb 1.01 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 3itk h SER 21 CO 0.09 0.54 -0.29 0.58 -1.14 0.00 0.00 176.83 176.61 3itk h VAL 22 N 0.85 1.30 -0.60 2.27 2.07 -0.95 -1.75 116.25 119.43 3itk h VAL 22 Ca 0.23 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.38 3itk h VAL 22 Cb -0.08 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3itk h VAL 22 CO -0.05 0.47 0.25 0.40 0.02 0.00 0.00 177.57 178.66 3itk h ILE 23 N 0.48 0.81 -0.46 4.57 2.04 -0.70 -0.88 117.51 123.37 3itk h ILE 23 Ca 0.05 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3itk h ILE 23 Cb 0.86 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3itk h ILE 23 CO 0.07 0.08 0.16 0.00 0.00 0.00 0.00 178.15 178.47 3itk h ALA 24 N 1.39 0.60 -0.91 1.87 0.00 -0.91 0.85 119.26 122.15 3itk h ALA 24 Ca 0.30 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3itk h ALA 24 Cb 0.33 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3itk h ALA 24 CO -0.28 0.23 0.59 1.25 0.00 0.00 0.00 179.25 181.05 3itk h HIS 25 N 0.60 1.02 0.00 0.00 -0.00 -0.84 -2.95 115.15 112.98 3itk h HIS 25 Ca 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3itk h HIS 25 Cb 0.23 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 3itk h HIS 25 CO 0.01 0.50 -1.14 -1.33 -0.00 0.00 0.00 177.93 175.97 3itk n MET 26 N -4.51 0.41 -3.66 5.26 2.00 -0.38 -4.60 117.12 111.64 3itk n MET 26 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.58 3itk n MET 26 Cb 0.25 -1.64 -0.11 0.00 0.00 0.00 0.00 33.22 31.72 3itk n MET 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3itk h PRO 28 N 5.23 0.00 -0.01 0.00 0.11 -1.81 -1.78 132.00 133.74 3itk h PRO 28 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3itk h PRO 28 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3itk h PRO 28 CO 0.62 0.00 -0.16 -0.85 -0.21 0.00 0.00 178.00 177.40 3itk n GLU 29 N -3.58 0.96 -4.14 1.05 0.00 -1.26 -4.83 120.64 108.85 3itk n GLU 29 Ca -0.03 -0.49 -0.34 0.00 0.00 0.00 0.00 57.16 56.30 3itk n GLU 29 Cb 0.10 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 29.94 3itk n GLU 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3itk s ILE 30 N -2.38 4.37 -0.17 3.84 1.01 -0.67 -4.90 121.20 122.29 3itk s ILE 30 Ca 0.29 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.53 3itk s ILE 30 Cb 0.20 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3itk s ILE 30 CO 0.47 0.46 0.70 -0.60 0.00 0.00 0.00 174.94 175.97 3itk s ARG 31 N 0.50 4.27 -0.21 2.79 3.52 -0.30 -4.83 118.95 124.68 3itk s ARG 31 Ca 0.00 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 3itk s ARG 31 Cb -0.13 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3itk s ARG 31 CO 0.02 -0.23 -0.13 0.08 -0.81 0.00 0.00 175.30 174.22 3itk s VAL 32 N 1.85 2.43 -0.24 7.11 1.01 0.53 -0.75 120.40 132.34 3itk s VAL 32 Ca 0.33 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3itk s VAL 32 Cb -0.16 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3itk s VAL 32 CO 0.12 0.35 -0.11 -0.89 0.00 0.00 0.00 175.10 174.57 3itk s THR 33 N 1.29 2.36 -0.22 3.92 2.01 -0.22 -1.05 115.64 123.73 3itk s THR 33 Ca 0.02 -1.30 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 3itk s THR 33 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3itk s THR 33 CO -0.09 0.16 0.40 -0.69 -0.69 0.00 0.00 174.62 173.71 3itk s VAL 34 N 1.21 5.19 0.19 3.82 1.01 0.96 -1.19 120.40 131.60 3itk s VAL 34 Ca -0.03 0.68 0.11 0.00 0.00 0.00 0.00 61.98 62.74 3itk s VAL 34 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3itk s VAL 34 CO -0.07 0.23 -0.24 0.68 0.00 0.00 0.00 175.10 175.70 3itk s VAL 35 N 1.51 2.38 -0.07 2.92 -7.23 0.28 -1.67 120.40 118.51 3itk s VAL 35 Ca 0.18 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3itk s VAL 35 Cb -0.15 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.72 3itk s VAL 35 CO 0.08 -0.12 0.66 -0.62 -0.31 0.00 0.00 175.10 174.80 3itk s ASP 36 N -2.68 -0.65 0.35 4.85 -1.08 -1.11 -0.79 116.67 115.57 3itk s ASP 36 Ca 0.21 0.77 0.17 0.00 -0.52 0.00 0.00 52.55 53.18 3itk s ASP 36 Cb -0.08 0.64 0.59 0.00 -1.46 0.00 0.00 42.92 42.61 3itk s ASP 36 CO 0.10 -0.56 1.70 1.62 0.52 0.00 0.00 175.17 178.55 3itk h VAL 37 N 3.16 0.97 -1.38 1.11 3.04 -1.90 -3.39 116.25 117.86 3itk h VAL 37 Ca -0.27 -1.66 -0.46 0.00 -1.01 0.00 0.00 66.70 63.29 3itk h VAL 37 Cb 1.14 1.99 -0.06 0.00 -2.01 0.00 0.00 31.29 32.35 3itk h VAL 37 CO 0.35 0.41 1.13 0.21 -1.01 0.00 0.00 177.57 178.67 3itk s ASN 38 N -6.50 5.71 0.32 3.17 3.84 -1.26 -4.86 114.94 115.37 3itk s ASN 38 Ca 0.00 -0.63 0.03 0.00 0.21 0.00 0.00 52.86 52.47 3itk s ASN 38 Cb 0.11 -2.56 0.61 0.00 -0.55 0.00 0.00 41.25 38.86 3itk s ASN 38 CO 0.70 -2.17 1.92 -0.08 -2.79 0.00 0.00 177.10 174.68 3itk h GLU 39 N 11.47 0.90 -0.86 0.43 4.81 -1.99 -1.91 114.58 127.43 3itk h GLU 39 Ca -0.02 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3itk h GLU 39 Cb 1.05 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 3itk h GLU 39 CO 1.28 0.60 0.56 1.03 -0.73 0.00 0.00 179.01 181.75 3itk h SER 40 N 0.93 0.99 -0.16 1.04 0.87 -1.98 -1.04 113.55 114.20 3itk h SER 40 Ca 0.38 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.75 3itk h SER 40 Cb 0.26 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3itk h SER 40 CO -0.14 0.73 -0.51 -0.09 -0.53 0.00 0.00 176.83 176.29 3itk h ARG 41 N 1.17 0.63 -0.42 2.24 2.43 -1.78 -2.22 114.38 116.43 3itk h ARG 41 Ca 0.31 -0.46 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3itk h ARG 41 Cb -0.12 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3itk h ARG 41 CO -0.07 1.08 0.22 0.82 -1.51 0.00 0.00 179.97 180.52 3itk h ILE 42 N 0.30 0.99 -0.80 1.20 1.08 -1.33 -1.40 117.51 117.55 3itk h ILE 42 Ca -0.02 -0.15 0.10 0.00 -0.39 0.00 0.00 64.86 64.40 3itk h ILE 42 Cb 1.13 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 35.31 3itk h ILE 42 CO 0.11 0.08 0.44 0.78 -0.69 0.00 0.00 178.15 178.87 3itk h ASN 43 N 0.45 0.62 -0.64 1.72 2.35 -1.11 -1.55 115.58 117.42 3itk h ASN 43 Ca 0.18 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3itk h ASN 43 Cb 0.07 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3itk h ASN 43 CO -0.12 0.35 0.26 0.00 -1.65 0.00 0.00 177.43 176.28 3itk h ALA 44 N 1.45 0.83 0.00 -0.83 0.00 -0.95 -1.24 119.26 118.53 3itk h ALA 44 Ca 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3itk h ALA 44 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3itk h ALA 44 CO -0.26 0.44 -0.05 -1.49 0.00 0.00 0.00 179.25 177.89 3itk h TRP 45 N 0.90 0.00 -0.06 0.00 4.06 -0.34 0.51 115.95 121.02 3itk h TRP 45 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 3itk h TRP 45 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 3itk h TRP 45 CO 0.01 0.05 0.00 0.09 -3.56 0.00 0.00 178.44 175.03 3itk n ASN 46 N -4.28 1.20 -5.02 -3.49 3.02 -0.56 -4.94 115.26 101.19 3itk n ASN 46 Ca -0.03 -1.48 -0.19 0.00 -0.03 0.00 0.00 54.58 52.86 3itk n ASN 46 Cb 0.13 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.32 3itk n ASN 46 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3itk s SER 47 N -1.84 5.28 0.00 6.41 1.04 0.17 -5.01 113.70 119.75 3itk s SER 47 Ca 0.37 -0.67 0.27 0.00 0.48 0.00 0.00 55.95 56.40 3itk s SER 47 Cb 0.19 -0.07 1.31 0.00 0.10 0.00 0.00 66.02 67.56 3itk s SER 47 CO 0.31 -1.15 1.91 -0.81 0.98 0.00 0.00 173.24 174.49 3itk n PRO 48 N -2.12 0.27 -3.88 4.02 -0.04 -1.26 -4.48 135.00 127.51 3itk n PRO 48 Ca 0.13 0.03 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 3itk n PRO 48 Cb 0.61 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 3itk n PRO 48 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3itk s THR 49 N -2.70 2.90 0.62 0.52 2.01 -1.26 -5.10 115.64 112.62 3itk s THR 49 Ca 0.22 -2.60 -0.18 0.00 0.31 0.00 0.00 61.69 59.44 3itk s THR 49 Cb 0.18 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 3itk s THR 49 CO 0.44 -0.72 1.19 -0.76 -0.69 0.00 0.00 174.62 174.08 3itk s LEU 50 N 0.52 3.59 0.26 4.42 1.43 -1.26 -4.70 118.68 122.95 3itk s LEU 50 Ca 0.13 2.33 0.25 0.00 -1.03 0.00 0.00 54.13 55.81 3itk s LEU 50 Cb -0.22 -4.59 0.90 0.00 0.03 0.00 0.00 46.19 42.31 3itk s LEU 50 CO -0.04 -1.68 1.75 1.55 0.23 0.00 0.00 176.35 178.16 3itk h PRO 51 N 0.64 0.00 -5.38 1.29 0.13 -1.88 -3.42 132.00 123.37 3itk h PRO 51 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 3itk h PRO 51 Cb 1.29 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.12 3itk h PRO 51 CO 0.54 0.00 -0.82 0.42 -0.23 0.00 0.00 178.00 177.91 3itk s ILE 52 N -3.24 2.56 -0.28 -3.56 -1.09 -1.26 -5.11 121.20 109.23 3itk s ILE 52 Ca 0.07 -0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 57.50 3itk s ILE 52 Cb 0.10 -2.03 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3itk s ILE 52 CO 0.50 0.54 0.38 -0.47 -1.23 0.00 0.00 174.94 174.67 3itk s TYR 53 N 0.29 3.24 -0.05 3.97 5.04 -1.26 -4.98 117.35 123.60 3itk s TYR 53 Ca -0.14 0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 3itk s TYR 53 Cb -0.17 -2.59 0.04 0.00 0.35 0.00 0.00 41.96 39.59 3itk s TYR 53 CO 0.07 -0.26 0.11 -1.21 -1.34 0.00 0.00 175.55 172.92 3itk s GLU 54 N 2.08 0.04 0.14 4.97 0.41 -1.26 -4.85 118.70 120.24 3itk s GLU 54 Ca 0.15 0.33 -0.35 0.00 -0.41 0.00 0.00 54.97 54.69 3itk s GLU 54 Cb -0.16 -0.22 -0.15 0.00 -1.78 0.00 0.00 34.13 31.82 3itk s GLU 54 CO 0.10 -0.18 1.41 -2.30 -0.49 0.00 0.00 175.26 173.81 3itk n PRO 55 N 4.29 1.61 0.00 0.39 -0.02 -1.26 -1.60 135.00 138.40 3itk n PRO 55 Ca -0.25 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3itk n PRO 55 Cb 0.51 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3itk n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itk n GLY 56 N 2.75 2.54 0.13 -1.23 0.00 -1.26 -4.49 105.19 103.63 3itk n GLY 56 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3itk n GLY 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3itk h LEU 57 N 0.00 0.38 -0.41 0.99 5.85 -1.72 -2.58 115.31 117.82 3itk h LEU 57 Ca 0.00 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.34 3itk h LEU 57 Cb 0.00 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 3itk h LEU 57 CO 0.00 0.76 -0.13 0.50 -0.34 0.00 0.00 178.44 179.23 3itk h LYS 58 N -0.00 -0.04 -0.32 1.25 3.64 -1.91 0.15 116.57 119.34 3itk h LYS 58 Ca 0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3itk h LYS 58 Cb 0.65 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3itk h LYS 58 CO 0.03 -0.03 0.18 0.93 -2.27 0.00 0.00 179.45 178.29 3itk h GLU 59 N -0.04 0.36 -0.11 1.90 3.07 -1.93 0.13 114.58 117.95 3itk h GLU 59 Ca 0.20 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3itk h GLU 59 Cb 0.34 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3itk h GLU 59 CO -0.44 0.24 0.08 0.28 -1.40 0.00 0.00 179.01 177.76 3itk h VAL 60 N 0.37 1.03 -0.18 3.13 2.07 -0.95 -1.40 116.25 120.31 3itk h VAL 60 Ca 0.13 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3itk h VAL 60 Cb 0.02 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3itk h VAL 60 CO -0.07 0.03 0.09 0.58 0.02 0.00 0.00 177.57 178.22 3itk h VAL 61 N 0.15 1.12 0.00 2.57 2.07 -0.40 -2.91 116.25 118.85 3itk h VAL 61 Ca 0.04 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3itk h VAL 61 Cb -0.02 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3itk h VAL 61 CO -0.01 0.12 -0.13 -0.33 0.02 0.00 0.00 177.57 177.24 3itk h GLU 62 N 0.17 0.00 0.00 1.57 5.08 -0.60 0.19 114.58 120.99 3itk h GLU 62 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3itk h GLU 62 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3itk h GLU 62 CO -0.01 0.13 0.00 0.66 -1.00 0.00 0.00 179.01 178.79 3itk h SER 63 N 0.00 0.00 0.00 1.42 4.64 -1.05 -3.38 113.55 115.18 3itk h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3itk h SER 63 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3itk h SER 63 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3itk s ARG 65 N 0.00 4.15 0.00 0.00 3.52 0.64 -1.63 118.95 125.62 3itk s ARG 65 Ca 0.00 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 3itk s ARG 65 Cb 0.00 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 3itk s ARG 65 CO 0.00 -0.81 0.00 0.41 -0.81 0.00 0.00 175.30 174.09 3itk n GLY 66 N 4.16 1.99 0.00 8.12 0.00 -0.01 -4.88 105.19 114.56 3itk n GLY 66 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3itk n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itk n LYS 67 N -2.00 0.00 0.00 1.61 5.02 -0.65 -4.88 118.16 117.26 3itk n LYS 67 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3itk n LYS 67 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 3itk n LYS 67 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3itk n ASN 68 N -2.31 0.76 -4.44 4.39 6.94 -1.01 -5.03 115.26 114.56 3itk n ASN 68 Ca 0.00 -1.06 -0.34 0.00 -0.02 0.00 0.00 54.58 53.16 3itk n ASN 68 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 3itk n ASN 68 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3itk s LEU 69 N -0.06 3.08 0.01 -4.53 2.96 -0.92 -0.35 118.68 118.86 3itk s LEU 69 Ca 0.00 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3itk s LEU 69 Cb 0.00 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3itk s LEU 69 CO 0.00 0.14 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.77 3itk s PHE 70 N 0.55 0.33 -0.12 5.38 0.08 -0.22 -0.83 117.98 123.16 3itk s PHE 70 Ca -0.04 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.85 3itk s PHE 70 Cb -0.15 -0.21 0.01 0.00 -0.57 0.00 0.00 43.02 42.10 3itk s PHE 70 CO 0.03 -0.04 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.83 3itk s PHE 71 N -0.48 2.50 0.06 0.36 0.08 -1.26 -0.03 117.98 119.21 3itk s PHE 71 Ca -0.03 -1.14 -0.15 0.00 0.12 0.00 0.00 56.93 55.73 3itk s PHE 71 Cb -0.04 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3itk s PHE 71 CO -0.00 -0.50 0.34 0.45 -0.10 0.00 0.00 175.22 175.41 3itk s SER 72 N 0.61 -0.17 0.00 1.36 0.15 -0.67 -4.95 113.70 110.03 3itk s SER 72 Ca -0.13 -0.17 0.23 0.00 0.70 0.00 0.00 55.95 56.59 3itk s SER 72 Cb -0.17 0.39 0.60 0.00 -1.71 0.00 0.00 66.02 65.14 3itk s SER 72 CO 0.03 -0.66 1.49 0.35 1.20 0.00 0.00 173.24 175.65 3itk n THR 73 N 0.43 0.21 -2.88 6.45 -2.24 -1.26 -2.74 114.28 112.26 3itk n THR 73 Ca -0.18 -0.47 -0.44 0.00 -2.27 0.00 0.00 64.05 60.69 3itk n THR 73 Cb 0.60 0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3itk n THR 73 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3itk s ASN 74 N -1.71 7.03 0.07 3.42 3.84 -1.26 -4.81 114.94 121.53 3itk s ASN 74 Ca 0.34 -2.90 -0.21 0.00 0.21 0.00 0.00 52.86 50.30 3itk s ASN 74 Cb 0.20 -2.44 -0.11 0.00 -0.55 0.00 0.00 41.25 38.35 3itk s ASN 74 CO 0.30 -0.82 1.57 0.40 -2.79 0.00 0.00 177.10 175.76 3itk h ILE 75 N 4.82 1.19 -0.77 -5.21 2.04 -1.90 -3.02 117.51 114.65 3itk h ILE 75 Ca 0.34 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3itk h ILE 75 Cb 0.87 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3itk h ILE 75 CO 1.29 0.18 0.44 0.44 0.00 0.00 0.00 178.15 180.49 3itk h ASP 76 N 0.05 0.94 -0.42 1.72 3.32 -1.98 -1.78 116.42 118.27 3itk h ASP 76 Ca 0.05 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3itk h ASP 76 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3itk h ASP 76 CO -0.00 0.75 -0.27 0.44 -1.72 0.00 0.00 179.24 178.44 3itk h ASP 77 N 1.06 0.97 -0.79 6.45 3.32 -1.97 -1.87 116.42 123.58 3itk h ASP 77 Ca 0.27 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3itk h ASP 77 Cb 0.00 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 3itk h ASP 77 CO -0.05 1.19 0.50 0.00 -1.72 0.00 0.00 179.24 179.16 3itk h ALA 78 N 0.82 1.06 0.09 3.45 0.00 -1.36 -1.92 119.26 121.40 3itk h ALA 78 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3itk h ALA 78 Cb 0.85 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3itk h ALA 78 CO 0.08 0.27 -0.04 0.82 0.00 0.00 0.00 179.25 180.38 3itk h ILE 79 N 0.94 1.05 -0.64 0.00 2.04 -1.17 -2.01 117.51 117.73 3itk h ILE 79 Ca 0.33 -0.52 0.12 0.00 1.00 0.00 0.00 64.86 65.79 3itk h ILE 79 Cb 0.07 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.45 3itk h ILE 79 CO -0.14 0.13 0.18 0.11 0.00 0.00 0.00 178.15 178.43 3itk h LYS 80 N -0.36 0.31 0.00 2.37 1.57 -1.07 -0.86 116.57 118.53 3itk h LYS 80 Ca -0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3itk h LYS 80 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3itk h LYS 80 CO 0.02 0.21 -0.50 0.93 -0.57 0.00 0.00 179.45 179.54 3itk h GLU 81 N 0.32 0.00 -6.86 3.15 5.08 -1.34 -3.47 114.58 111.47 3itk h GLU 81 Ca 0.34 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.18 3itk h GLU 81 Cb 0.49 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.79 3itk h GLU 81 CO -0.39 0.50 0.59 0.00 -1.00 0.00 0.00 179.01 178.71 3itk s ALA 82 N -3.51 3.46 0.05 3.43 0.00 -0.33 -4.84 121.76 120.02 3itk s ALA 82 Ca -0.00 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 3itk s ALA 82 Cb 0.11 -3.43 -0.27 0.00 0.00 0.00 0.00 23.12 19.53 3itk s ALA 82 CO 0.72 -0.51 1.05 -0.44 0.00 0.00 0.00 175.76 176.59 3itk h ASP 83 N 3.47 0.33 -3.44 0.00 3.32 -1.15 -3.46 116.42 115.49 3itk h ASP 83 Ca -0.48 -0.39 -0.44 0.00 0.02 0.00 0.00 57.03 55.74 3itk h ASP 83 Cb 1.22 -0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.33 3itk h ASP 83 CO 0.66 1.31 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.48 3itk s LEU 84 N -6.98 1.41 -0.18 1.55 1.98 -0.97 -1.23 118.68 114.26 3itk s LEU 84 Ca -0.05 -0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 3itk s LEU 84 Cb 0.07 -0.57 0.01 0.00 0.66 0.00 0.00 46.19 46.36 3itk s LEU 84 CO 0.86 -0.03 -0.17 -0.69 -1.89 0.00 0.00 176.35 174.44 3itk s VAL 85 N 0.88 2.39 0.01 1.68 1.01 0.05 -0.93 120.40 125.49 3itk s VAL 85 Ca -0.12 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3itk s VAL 85 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 3itk s VAL 85 CO 0.01 0.51 0.64 -0.36 0.00 0.00 0.00 175.10 175.90 3itk s PHE 86 N 1.23 3.70 -0.30 5.22 0.08 0.76 -0.92 117.98 127.75 3itk s PHE 86 Ca 0.03 1.28 -0.10 0.00 0.12 0.00 0.00 56.93 58.25 3itk s PHE 86 Cb -0.14 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.63 3itk s PHE 86 CO -0.09 0.34 0.17 0.42 -0.10 0.00 0.00 175.22 175.96 3itk s ILE 87 N -0.20 4.85 -0.36 0.64 1.01 -0.57 -0.76 121.20 125.82 3itk s ILE 87 Ca 0.33 -0.21 0.14 0.00 0.00 0.00 0.00 60.65 60.91 3itk s ILE 87 Cb -0.19 -3.41 0.44 0.00 0.01 0.00 0.00 42.46 39.30 3itk s ILE 87 CO 0.19 0.13 0.96 -0.24 0.00 0.00 0.00 174.94 175.98 3itk n SER 88 N 5.02 2.12 -4.95 3.58 2.88 -0.44 -0.96 113.62 120.87 3itk n SER 88 Ca -0.14 -2.97 -0.20 0.00 -1.33 0.00 0.00 58.87 54.22 3itk n SER 88 Cb 0.50 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 3itk n SER 88 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3itk s VAL 89 N -3.57 4.40 0.55 2.46 -7.23 -1.26 -4.57 120.40 111.19 3itk s VAL 89 Ca 0.33 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 59.23 3itk s VAL 89 Cb 0.43 -3.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.80 3itk s VAL 89 CO -0.02 -0.23 1.08 0.21 -0.31 0.00 0.00 175.10 175.82 3itk s ASN 90 N -4.06 5.90 -0.62 4.85 2.47 -1.26 -4.71 114.94 117.50 3itk s ASN 90 Ca 0.40 1.99 0.05 0.00 0.42 0.00 0.00 52.86 55.71 3itk s ASN 90 Cb -0.09 -2.56 0.16 0.00 -1.45 0.00 0.00 41.25 37.32 3itk s ASN 90 CO 0.29 -1.09 0.43 0.42 -3.72 0.00 0.00 177.10 173.43 3itk s THR 91 N -2.05 2.33 0.72 -5.21 -4.23 -1.26 -4.61 115.64 101.32 3itk s THR 91 Ca 0.68 -3.81 -0.14 0.00 -1.18 0.00 0.00 61.69 57.25 3itk s THR 91 Cb -0.19 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3itk s THR 91 CO 0.28 -1.02 1.14 -2.16 -0.54 0.00 0.00 174.62 172.32 3itk s PRO 92 N -0.98 2.34 0.30 3.99 0.04 -1.26 -4.49 135.00 134.94 3itk s PRO 92 Ca 0.25 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 3itk s PRO 92 Cb -0.06 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 3itk s PRO 92 CO -0.15 -1.63 1.23 0.99 0.04 0.00 0.00 177.00 177.48 3itk s THR 93 N -2.32 3.04 0.32 1.26 2.01 -1.26 -0.86 115.64 117.84 3itk s THR 93 Ca 0.69 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 3itk s THR 93 Cb -0.23 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.50 3itk s THR 93 CO 0.46 0.24 1.55 -0.54 -0.69 0.00 0.00 174.62 175.65 3itk s LYS 94 N -1.57 4.12 0.00 4.92 1.02 -0.19 -4.79 119.74 123.24 3itk s LYS 94 Ca 0.48 2.58 0.18 0.00 0.02 0.00 0.00 55.97 59.23 3itk s LYS 94 Cb -0.37 -3.00 0.10 0.00 -0.52 0.00 0.00 37.83 34.05 3itk s LYS 94 CO 0.48 -0.60 1.04 0.25 -0.92 0.00 0.00 175.35 175.60 3itk n THR 95 N 1.52 0.00 -3.74 2.17 -2.24 -1.26 -0.28 114.28 110.45 3itk n THR 95 Ca 0.05 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3itk n THR 95 Cb 0.38 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 3itk n THR 95 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3itk s TYR 96 N -1.70 -0.16 0.00 4.78 -0.85 -1.26 -4.80 117.35 113.37 3itk s TYR 96 Ca 0.20 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 3itk s TYR 96 Cb 0.15 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.96 3itk s TYR 96 CO 0.30 -0.98 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 3itk n GLY 97 N -0.38 -1.67 3.66 5.49 0.00 -1.26 -4.31 105.19 106.72 3itk n GLY 97 Ca -0.09 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3itk n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3itk s MET 98 N 0.00 4.15 0.00 1.61 -1.94 -1.26 -1.00 119.30 120.86 3itk s MET 98 Ca 0.00 2.47 0.00 0.00 -1.71 0.00 0.00 55.69 56.45 3itk s MET 98 Cb 0.00 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.74 3itk s MET 98 CO 0.00 -0.92 0.00 0.41 -0.01 0.00 0.00 175.02 174.50 3itk n GLY 99 N 4.41 0.44 3.61 -0.03 0.00 -1.26 -4.85 105.19 107.50 3itk n GLY 99 Ca 0.19 -0.95 -0.58 0.00 0.00 0.00 0.00 46.02 44.68 3itk n GLY 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3itk n LYS 100 N -2.91 0.55 -0.91 1.61 4.81 -0.17 -0.55 118.16 120.59 3itk n LYS 100 Ca 0.00 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3itk n LYS 100 Cb 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.28 3itk n LYS 100 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3itk n GLY 101 N 2.68 0.93 1.16 3.14 0.00 0.62 -4.71 105.19 108.99 3itk n GLY 101 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3itk n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3itk n ARG 102 N -2.06 0.00 -2.36 1.61 1.74 -0.36 -4.97 116.66 110.25 3itk n ARG 102 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3itk n ARG 102 Cb 0.00 -0.18 -0.02 0.00 -1.02 0.00 0.00 32.46 31.24 3itk n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itk s ALA 103 N -1.58 3.02 0.33 7.54 0.00 0.29 -3.81 121.76 127.55 3itk s ALA 103 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.55 3itk s ALA 103 Cb 0.00 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3itk s ALA 103 CO 0.00 -0.49 0.98 0.00 0.00 0.00 0.00 175.76 176.25 3itk s ALA 104 N -1.59 3.20 -0.37 0.00 0.00 -1.26 -1.02 121.76 120.72 3itk s ALA 104 Ca 0.61 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 3itk s ALA 104 Cb -0.26 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3itk s ALA 104 CO 0.32 0.07 0.29 0.34 0.00 0.00 0.00 175.76 176.78 3itk s ASP 105 N -1.54 6.10 0.00 0.00 -1.08 -0.04 -4.72 116.67 115.39 3itk s ASP 105 Ca 0.51 -0.61 0.06 0.00 -0.52 0.00 0.00 52.55 51.99 3itk s ASP 105 Cb -0.20 -2.16 0.28 0.00 -1.46 0.00 0.00 42.92 39.38 3itk s ASP 105 CO 0.26 -0.35 1.19 0.18 0.52 0.00 0.00 175.17 176.97 3itk n LEU 106 N 5.18 0.25 -0.34 -1.34 4.77 -1.26 -4.27 117.00 119.99 3itk n LEU 106 Ca -0.11 -0.12 0.03 0.00 -0.03 0.00 0.00 56.01 55.77 3itk n LEU 106 Cb 0.48 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 3itk n LEU 106 CO 0.39 0.06 1.22 0.07 -1.33 0.00 0.00 177.39 177.81 3itk h LYS 107 N 0.29 1.01 -0.03 3.23 2.10 -1.93 0.05 116.57 121.29 3itk h LYS 107 Ca 0.00 -0.06 -0.18 0.00 -2.00 0.00 0.00 60.65 58.41 3itk h LYS 107 Cb 0.06 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.16 3itk h LYS 107 CO 0.00 0.67 -0.79 1.88 -2.00 0.00 0.00 179.45 179.21 3itk h TYR 108 N 1.04 0.34 -0.23 0.07 0.05 -1.82 -1.33 116.97 115.09 3itk h TYR 108 Ca 0.42 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 3itk h TYR 108 Cb 0.23 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3itk h TYR 108 CO -0.02 0.93 0.07 0.82 -1.05 0.00 0.00 178.16 178.91 3itk h ILE 109 N 0.15 1.20 -0.26 -2.88 1.08 -1.55 -1.72 117.51 113.53 3itk h ILE 109 Ca -0.03 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 3itk h ILE 109 Cb 1.37 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 3itk h ILE 109 CO 0.12 0.21 0.16 -0.08 -0.69 0.00 0.00 178.15 177.87 3itk h GLU 110 N 0.21 0.35 -0.59 2.37 4.81 -0.93 -1.44 114.58 119.35 3itk h GLU 110 Ca 0.07 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3itk h GLU 110 Cb 0.25 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3itk h GLU 110 CO -0.00 0.26 0.26 0.00 -0.73 0.00 0.00 179.01 178.79 3itk h ALA 111 N 1.07 0.76 -0.28 2.92 0.00 -1.14 0.93 119.26 123.54 3itk h ALA 111 Ca 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3itk h ALA 111 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3itk h ALA 111 CO -0.02 -0.13 0.16 0.00 0.00 0.00 0.00 179.25 179.26 3itk h ALA 113 N 1.04 0.18 -0.90 0.00 0.00 -0.41 0.12 119.26 119.28 3itk h ALA 113 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3itk h ALA 113 Cb 0.05 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3itk h ALA 113 CO -0.02 -0.42 0.60 0.00 0.00 0.00 0.00 179.25 179.41 3itk h ARG 114 N 0.08 1.17 -0.18 0.00 3.08 -0.74 -1.26 114.38 116.53 3itk h ARG 114 Ca 0.09 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 3itk h ARG 114 Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3itk h ARG 114 CO -0.14 0.77 -0.51 -0.09 -1.07 0.00 0.00 179.97 178.94 3itk h ARG 115 N 1.20 0.51 -0.49 0.04 2.43 -0.68 -2.10 114.38 115.29 3itk h ARG 115 Ca 0.34 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3itk h ARG 115 Cb -0.11 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3itk h ARG 115 CO -0.08 0.90 0.19 0.82 -1.51 0.00 0.00 179.97 180.28 3itk h ILE 116 N 0.40 1.22 -0.23 1.20 2.04 -0.06 -2.12 117.51 119.95 3itk h ILE 116 Ca 0.02 -0.69 -0.15 0.00 1.00 0.00 0.00 64.86 65.04 3itk h ILE 116 Cb 1.03 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3itk h ILE 116 CO 0.09 0.26 -0.48 1.62 0.00 0.00 0.00 178.15 179.64 3itk h VAL 117 N 0.66 1.30 -0.39 1.67 3.04 -1.15 -2.19 116.25 119.19 3itk h VAL 117 Ca 0.16 -1.69 -0.08 0.00 -1.01 0.00 0.00 66.70 64.08 3itk h VAL 117 Cb 0.22 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.12 3itk h VAL 117 CO -0.01 0.53 -0.10 -0.61 -1.01 0.00 0.00 177.57 176.37 3itk h GLN 118 N 0.50 0.69 -0.65 4.17 4.15 -1.31 -3.16 115.11 119.50 3itk h GLN 118 Ca 0.03 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.23 3itk h GLN 118 Cb 1.02 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3itk h GLN 118 CO 0.10 0.77 0.00 0.09 -1.93 0.00 0.00 178.83 177.86 3itk n ASN 119 N -4.18 4.87 -4.37 -0.69 3.02 -0.80 -5.00 115.26 108.11 3itk n ASN 119 Ca 0.01 -2.53 -0.30 0.00 -0.03 0.00 0.00 54.58 51.73 3itk n ASN 119 Cb 0.34 -0.60 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 3itk n ASN 119 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3itk s SER 120 N -0.85 3.28 0.07 6.41 0.01 -0.86 -4.05 113.70 117.71 3itk s SER 120 Ca 0.51 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.18 3itk s SER 120 Cb 0.34 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 3itk s SER 120 CO 0.22 0.25 -0.05 0.20 0.41 0.00 0.00 173.24 174.27 3itk s ASN 121 N -1.41 0.80 0.62 2.44 0.01 -1.26 -4.98 114.94 111.17 3itk s ASN 121 Ca 0.13 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.33 3itk s ASN 121 Cb -0.10 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.70 3itk s ASN 121 CO 0.03 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 3itk n GLY 122 N 0.20 1.30 3.69 0.66 0.00 -0.96 -4.74 105.19 105.34 3itk n GLY 122 Ca -0.14 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3itk n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3itk s TYR 123 N 0.00 3.35 0.02 1.61 5.04 -1.26 -0.43 117.35 125.68 3itk s TYR 123 Ca 0.00 0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 54.82 3itk s TYR 123 Cb 0.00 -2.20 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 3itk s TYR 123 CO 0.00 0.18 0.11 0.15 -1.34 0.00 0.00 175.55 174.65 3itk s LYS 124 N 0.67 0.53 -0.22 4.97 1.02 -1.05 -4.85 119.74 120.81 3itk s LYS 124 Ca 0.07 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.39 3itk s LYS 124 Cb -0.12 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3itk s LYS 124 CO 0.01 -0.13 0.09 0.42 -0.92 0.00 0.00 175.35 174.82 3itk s ILE 125 N -2.02 4.77 -0.16 2.17 1.01 -0.36 -1.15 121.20 125.45 3itk s ILE 125 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3itk s ILE 125 Cb -0.04 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3itk s ILE 125 CO -0.02 0.38 -0.09 -0.69 0.00 0.00 0.00 174.94 174.52 3itk s VAL 126 N 1.01 3.25 -0.11 2.92 1.01 0.25 -0.77 120.40 127.96 3itk s VAL 126 Ca 0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3itk s VAL 126 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.86 3itk s VAL 126 CO 0.03 0.49 -0.08 -0.89 0.00 0.00 0.00 175.10 174.65 3itk s THR 127 N 0.71 1.05 -0.16 3.92 2.01 -0.10 -0.66 115.64 122.42 3itk s THR 127 Ca -0.04 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 3itk s THR 127 Cb -0.15 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 3itk s THR 127 CO 0.02 0.37 1.25 -1.61 -0.69 0.00 0.00 174.62 173.96 3itk s GLU 128 N 1.58 4.24 -0.03 4.92 2.02 -0.43 -1.51 118.70 129.51 3itk s GLU 128 Ca 0.03 1.66 0.12 0.00 0.02 0.00 0.00 54.97 56.79 3itk s GLU 128 Cb -0.13 -3.74 -0.18 0.00 0.10 0.00 0.00 34.13 30.18 3itk s GLU 128 CO -0.07 -0.68 0.24 1.17 0.02 0.00 0.00 175.26 175.94 3itk n LYS 129 N 6.47 0.56 -1.60 1.61 3.00 -0.14 -1.14 118.16 126.92 3itk n LYS 129 Ca 0.14 -0.10 -0.31 0.00 -0.00 0.00 0.00 58.31 58.03 3itk n LYS 129 Cb 0.45 -1.29 0.05 0.00 0.00 0.00 0.00 35.03 34.24 3itk n LYS 129 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3itk s SER 130 N -3.50 5.31 -0.25 3.14 1.04 -1.15 -3.67 113.70 114.62 3itk s SER 130 Ca -0.05 1.68 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 3itk s SER 130 Cb 0.07 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 3itk s SER 130 CO 0.50 -1.49 1.71 0.00 0.98 0.00 0.00 173.24 174.94 3itk s ALA 131 N -2.92 3.12 0.22 5.32 0.00 -1.26 -4.83 121.76 121.40 3itk s ALA 131 Ca 0.59 0.43 0.12 0.00 0.00 0.00 0.00 51.96 53.10 3itk s ALA 131 Cb -0.15 -3.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 3itk s ALA 131 CO 0.52 -2.21 -0.23 0.14 0.00 0.00 0.00 175.76 173.99 3itk s VAL 132 N 5.86 2.41 0.67 0.00 -7.23 -1.26 -4.64 120.40 116.22 3itk s VAL 132 Ca 0.76 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 58.65 3itk s VAL 132 Cb -0.25 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.51 3itk s VAL 132 CO 0.32 -0.20 1.11 -2.16 -0.31 0.00 0.00 175.10 173.86 3itk s PRO 133 N -2.92 2.73 0.28 4.82 0.04 -1.26 -4.90 135.00 133.79 3itk s PRO 133 Ca 0.24 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 3itk s PRO 133 Cb -0.07 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 3itk s PRO 133 CO 0.11 -1.30 1.57 0.08 0.04 0.00 0.00 177.00 177.50 3itk s VAL 134 N -2.40 2.17 0.00 -0.36 1.01 -1.26 -1.67 120.40 117.89 3itk s VAL 134 Ca 0.66 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3itk s VAL 134 Cb -0.20 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3itk s VAL 134 CO 0.43 0.02 0.00 0.54 0.00 0.00 0.00 175.10 176.10 3itk n ARG 135 N 2.22 0.00 -0.36 2.72 3.00 -1.26 -4.96 116.66 118.03 3itk n ARG 135 Ca 0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.85 58.02 3itk n ARG 135 Cb 0.38 -0.97 0.28 0.00 0.00 0.00 0.00 32.46 32.14 3itk n ARG 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3itk h ALA 136 N 0.00 1.59 -0.06 7.54 0.00 -1.69 -1.25 119.26 125.40 3itk h ALA 136 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3itk h ALA 136 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3itk h ALA 136 CO 0.00 0.10 -0.45 0.00 0.00 0.00 0.00 179.25 178.90 3itk h ALA 137 N 1.59 1.13 -0.57 0.00 0.00 -1.93 -2.39 119.26 117.10 3itk h ALA 137 Ca 0.54 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3itk h ALA 137 Cb 0.68 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3itk h ALA 137 CO -0.32 0.60 0.36 1.49 0.00 0.00 0.00 179.25 181.38 3itk h GLU 138 N 0.11 0.69 -0.48 0.00 4.81 -1.66 -0.95 114.58 117.10 3itk h GLU 138 Ca 0.01 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3itk h GLU 138 Cb 0.85 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3itk h GLU 138 CO 0.07 0.46 0.11 0.77 -0.73 0.00 0.00 179.01 179.68 3itk h SER 139 N 0.71 0.73 -0.60 1.04 0.02 -1.18 -0.25 113.55 114.02 3itk h SER 139 Ca 0.22 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3itk h SER 139 Cb -0.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3itk h SER 139 CO -0.08 0.78 0.38 0.40 -1.14 0.00 0.00 176.83 177.17 3itk h ILE 140 N 0.65 1.17 -0.91 3.27 2.04 -1.18 -1.69 117.51 120.87 3itk h ILE 140 Ca 0.15 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3itk h ILE 140 Cb 0.34 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3itk h ILE 140 CO 0.00 0.17 0.54 -0.09 0.00 0.00 0.00 178.15 178.77 3itk h ARG 141 N 0.82 1.24 -0.54 2.37 2.43 -0.74 -1.05 114.38 118.90 3itk h ARG 141 Ca 0.22 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3itk h ARG 141 Cb -0.05 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 3itk h ARG 141 CO -0.04 0.87 -0.10 0.00 -1.51 0.00 0.00 179.97 179.19 3itk h ARG 142 N 1.25 1.02 -0.42 0.20 2.47 -0.51 0.20 114.38 118.59 3itk h ARG 142 Ca 0.32 -0.37 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3itk h ARG 142 Cb -0.04 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 3itk h ARG 142 CO -0.06 1.06 0.07 0.82 0.56 0.00 0.00 179.97 182.42 3itk h ILE 143 N 0.91 1.24 -0.43 2.04 2.04 -0.88 0.60 117.51 123.03 3itk h ILE 143 Ca 0.14 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 3itk h ILE 143 Cb 0.66 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3itk h ILE 143 CO 0.05 0.31 0.03 -0.26 0.00 0.00 0.00 178.15 178.27 3itk h PHE 144 N 0.56 0.79 -0.29 1.37 0.04 -0.80 -2.53 116.94 116.07 3itk h PHE 144 Ca 0.13 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3itk h PHE 144 Cb 0.37 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3itk h PHE 144 CO 0.03 0.77 -0.06 -0.44 -0.60 0.00 0.00 178.31 178.01 3itk h ASP 145 N 0.58 0.44 1.60 2.17 3.32 -0.49 -2.93 116.42 121.10 3itk h ASP 145 Ca 0.12 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3itk h ASP 145 Cb 0.44 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3itk h ASP 145 CO 0.02 0.55 -0.03 0.00 -1.72 0.00 0.00 179.24 178.06 3itk h ALA 146 N 1.50 0.99 -0.63 3.45 0.00 -0.76 -3.33 119.26 120.48 3itk h ALA 146 Ca 0.09 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.51 3itk h ALA 146 Cb 0.38 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 17.80 3itk h ALA 146 CO 0.02 0.04 -0.78 0.09 0.00 0.00 0.00 179.25 178.61 3itk n ASN 147 N -3.12 4.37 -4.81 0.00 3.02 -0.96 -5.08 115.26 108.68 3itk n ASN 147 Ca 0.03 -3.72 -0.32 0.00 -0.03 0.00 0.00 54.58 50.53 3itk n ASN 147 Cb 0.46 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3itk n ASN 147 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3itk s THR 148 N -4.37 4.01 0.14 3.41 -1.32 -1.16 -4.96 115.64 111.39 3itk s THR 148 Ca 0.48 0.93 0.05 0.00 -1.21 0.00 0.00 61.69 61.94 3itk s THR 148 Cb 0.40 -3.47 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 3itk s THR 148 CO 0.02 -0.59 -0.12 -0.54 -2.21 0.00 0.00 174.62 171.18 3itk s LYS 149 N -4.17 1.04 0.23 7.08 1.02 -1.26 -5.09 119.74 118.60 3itk s LYS 149 Ca 0.62 -1.33 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 3itk s LYS 149 Cb -0.14 -0.79 -0.13 0.00 -0.52 0.00 0.00 37.83 36.24 3itk s LYS 149 CO 0.37 0.13 1.42 -2.30 -0.92 0.00 0.00 175.35 174.06 3itk n PRO 150 N 0.21 2.05 -1.32 -1.68 -0.02 -1.26 -2.18 135.00 130.81 3itk n PRO 150 Ca -0.13 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3itk n PRO 150 Cb 0.59 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3itk n PRO 150 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itk n ASN 151 N 2.24 -5.41 -4.67 2.55 3.02 -1.26 -4.84 115.26 106.89 3itk n ASN 151 Ca 0.12 0.27 -0.39 0.00 -0.03 0.00 0.00 54.58 54.55 3itk n ASN 151 Cb 0.31 -3.88 -0.06 0.00 -0.61 0.00 0.00 39.78 35.54 3itk n ASN 151 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3itk s LEU 152 N -2.51 4.18 -0.38 3.41 2.96 -0.93 -2.27 118.68 123.15 3itk s LEU 152 Ca 0.00 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 3itk s LEU 152 Cb 0.00 -2.82 0.14 0.00 0.50 0.00 0.00 46.19 44.01 3itk s LEU 152 CO 0.00 -0.19 0.22 0.21 -1.32 0.00 0.00 176.35 175.26 3itk s ASN 153 N 1.07 3.18 -0.22 3.68 2.47 0.43 -4.78 114.94 120.77 3itk s ASN 153 Ca 0.28 -2.29 -0.13 0.00 0.42 0.00 0.00 52.86 51.13 3itk s ASN 153 Cb -0.16 -0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 39.01 3itk s ASN 153 CO 0.11 -0.30 0.29 -0.76 -3.72 0.00 0.00 177.10 172.72 3itk s LEU 154 N 0.88 4.14 -0.12 3.21 1.43 -1.26 -2.52 118.68 124.45 3itk s LEU 154 Ca 0.18 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 3itk s LEU 154 Cb -0.23 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3itk s LEU 154 CO 0.00 -0.01 0.11 -1.10 0.23 0.00 0.00 176.35 175.58 3itk s GLN 155 N 1.16 3.39 -0.17 1.70 -1.52 -0.30 -4.97 119.66 118.94 3itk s GLN 155 Ca 0.14 -0.20 -0.05 0.00 -1.95 0.00 0.00 55.36 53.30 3itk s GLN 155 Cb -0.14 -3.12 -0.03 0.00 -0.22 0.00 0.00 33.01 29.50 3itk s GLN 155 CO 0.06 0.73 -0.01 0.08 -0.25 0.00 0.00 175.29 175.90 3itk s VAL 156 N -0.90 4.03 0.19 1.09 1.01 -1.26 0.86 120.40 125.42 3itk s VAL 156 Ca 0.14 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3itk s VAL 156 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3itk s VAL 156 CO 0.03 0.47 -0.11 -0.76 0.00 0.00 0.00 175.10 174.73 3itk s LEU 157 N 0.56 2.51 -0.09 3.92 1.43 0.17 -4.56 118.68 122.62 3itk s LEU 157 Ca -0.01 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 3itk s LEU 157 Cb -0.14 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 3itk s LEU 157 CO 0.02 -0.27 -0.16 -0.55 0.23 0.00 0.00 176.35 175.62 3itk s SER 158 N -3.26 3.82 -0.43 2.29 0.15 -0.16 -1.31 113.70 114.79 3itk s SER 158 Ca 0.21 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.58 3itk s SER 158 Cb 0.01 -1.27 0.19 0.00 -1.71 0.00 0.00 66.02 63.25 3itk s SER 158 CO 0.05 0.23 0.48 -3.20 1.20 0.00 0.00 173.24 172.00 3itk n ASN 159 N 3.09 -1.13 -4.75 5.45 4.05 -0.29 -0.09 115.26 121.59 3itk n ASN 159 Ca -0.18 -2.60 -0.35 0.00 0.45 0.00 0.00 54.58 51.91 3itk n ASN 159 Cb 0.52 0.05 0.04 0.00 1.23 0.00 0.00 39.78 41.63 3itk n ASN 159 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3itk s PRO 160 N 0.05 2.81 0.07 1.20 0.02 -1.25 -4.35 135.00 133.55 3itk s PRO 160 Ca 0.33 1.69 -0.20 0.00 0.02 0.00 0.00 61.00 62.84 3itk s PRO 160 Cb 0.07 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 3itk s PRO 160 CO -0.16 -1.30 0.60 -2.00 -0.33 0.00 0.00 177.00 173.82 3itk s GLU 161 N -3.61 4.27 -0.57 5.54 -6.30 -1.24 -4.70 118.70 112.09 3itk s GLU 161 Ca 0.74 0.80 0.06 0.00 -2.50 0.00 0.00 54.97 54.07 3itk s GLU 161 Cb -0.27 -3.26 0.24 0.00 0.00 0.00 0.00 34.13 30.84 3itk s GLU 161 CO 0.37 0.59 0.63 1.19 0.02 0.00 0.00 175.26 178.05 3itk n PHE 162 N 1.86 2.27 -4.67 5.30 3.72 -1.26 -4.99 117.46 119.70 3itk n PHE 162 Ca -0.09 -3.97 -0.30 0.00 -0.05 0.00 0.00 57.45 53.04 3itk n PHE 162 Cb 0.50 -0.46 -0.13 0.00 -0.94 0.00 0.00 39.48 38.45 3itk n PHE 162 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3itk s LEU 163 N -1.86 2.47 0.18 4.37 1.43 -1.26 -4.92 118.68 119.09 3itk s LEU 163 Ca 0.36 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 3itk s LEU 163 Cb 0.12 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3itk s LEU 163 CO -0.07 0.24 -0.17 0.00 0.23 0.00 0.00 176.35 176.59 3itk s ALA 164 N -0.93 2.74 0.21 4.21 0.00 -1.26 -5.04 121.76 121.70 3itk s ALA 164 Ca 0.14 -1.54 -0.31 0.00 0.00 0.00 0.00 51.96 50.26 3itk s ALA 164 Cb -0.10 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.37 3itk s ALA 164 CO 0.05 0.46 1.48 -1.21 0.00 0.00 0.00 175.76 176.54 3itk s GLU 165 N -2.70 4.25 0.00 0.00 0.41 -1.26 -2.82 118.70 116.58 3itk s GLU 165 Ca 0.22 2.31 0.00 0.00 -0.41 0.00 0.00 54.97 57.09 3itk s GLU 165 Cb -0.09 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 3itk s GLU 165 CO 0.12 -0.48 0.00 0.41 -0.49 0.00 0.00 175.26 174.82 3itk n GLY 166 N 2.81 2.52 0.12 -1.39 0.00 -1.26 -4.81 105.19 103.17 3itk n GLY 166 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3itk n GLY 166 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itk n THR 167 N -2.00 0.94 -0.18 2.61 -2.24 -1.13 -4.67 114.28 107.61 3itk n THR 167 Ca 0.00 -1.07 -0.02 0.00 -2.27 0.00 0.00 64.05 60.69 3itk n THR 167 Cb 0.00 0.33 0.08 0.00 -2.10 0.00 0.00 70.33 68.64 3itk n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3itk h ALA 168 N 0.00 0.70 -0.14 6.98 0.00 -1.84 0.17 119.26 125.14 3itk h ALA 168 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3itk h ALA 168 Cb 0.93 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3itk h ALA 168 CO 0.00 -0.17 -0.35 0.82 0.00 0.00 0.00 179.25 179.55 3itk h ILE 169 N 0.42 1.36 -0.40 0.00 1.08 -1.90 -0.36 117.51 117.71 3itk h ILE 169 Ca 0.27 -1.63 0.06 0.00 -0.39 0.00 0.00 64.86 63.16 3itk h ILE 169 Cb 0.28 2.05 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 3itk h ILE 169 CO -0.25 0.49 0.11 0.50 -0.69 0.00 0.00 178.15 178.30 3itk h LYS 170 N 0.09 0.24 -0.35 2.37 3.64 -1.84 0.67 116.57 121.40 3itk h LYS 170 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3itk h LYS 170 Cb 0.96 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 3itk h LYS 170 CO 0.08 0.16 0.16 -0.44 -2.27 0.00 0.00 179.45 177.14 3itk h ASP 171 N 0.25 0.42 0.24 4.20 3.32 -0.53 -0.24 116.42 124.09 3itk h ASP 171 Ca 0.19 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.88 3itk h ASP 171 Cb 0.20 -0.11 0.03 0.00 0.22 0.00 0.00 39.33 39.68 3itk h ASP 171 CO -0.22 0.37 -1.46 -0.07 -1.72 0.00 0.00 179.24 176.13 3itk h LEU 172 N 0.48 0.79 -0.44 1.55 3.38 -0.63 -2.94 115.31 117.51 3itk h LEU 172 Ca 0.12 -0.92 -0.18 0.00 0.09 0.00 0.00 57.88 56.99 3itk h LEU 172 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3itk h LEU 172 CO -0.02 1.70 -0.64 0.11 0.09 0.00 0.00 178.44 179.69 3itk h LYS 173 N 0.09 0.53 -2.06 1.13 1.57 -0.73 -3.37 116.57 113.73 3itk h LYS 173 Ca -0.26 -0.38 -0.57 0.00 -1.87 0.00 0.00 60.65 57.58 3itk h LYS 173 Cb 2.12 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 34.09 3itk h LYS 173 CO 0.25 0.99 -0.97 -1.71 -0.57 0.00 0.00 179.45 177.45 3itk n ASN 174 N -3.91 1.27 -4.78 0.86 5.15 -0.11 -4.90 115.26 108.83 3itk n ASN 174 Ca -0.04 -2.94 -0.36 0.00 -0.60 0.00 0.00 54.58 50.64 3itk n ASN 174 Cb 0.66 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 3itk n ASN 174 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3itk s PRO 175 N -1.67 4.11 0.23 1.20 0.04 -1.11 -4.66 135.00 133.14 3itk s PRO 175 Ca 0.37 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 3itk s PRO 175 Cb 0.18 -2.48 0.20 0.00 0.04 0.00 0.00 34.50 32.44 3itk s PRO 175 CO -0.08 -0.19 1.85 -0.44 0.04 0.00 0.00 177.00 178.18 3itk h ASP 176 N 2.36 1.09 -4.95 6.66 3.32 -1.95 -3.45 116.42 119.51 3itk h ASP 176 Ca -0.48 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 3itk h ASP 176 Cb 1.22 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 3itk h ASP 176 CO 0.62 0.87 0.24 0.00 -1.72 0.00 0.00 179.24 179.25 3itk s ARG 177 N -5.87 1.17 -0.11 3.56 3.03 -1.26 -4.89 118.95 114.58 3itk s ARG 177 Ca -0.13 -0.27 -0.01 0.00 2.03 0.00 0.00 55.73 57.36 3itk s ARG 177 Cb 0.17 0.54 -0.02 0.00 -1.03 0.00 0.00 34.95 34.60 3itk s ARG 177 CO 0.82 -0.48 -0.08 0.08 -1.13 0.00 0.00 175.30 174.52 3itk s VAL 178 N -3.02 3.56 -0.15 4.99 1.01 -0.00 -4.97 120.40 121.82 3itk s VAL 178 Ca -0.02 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3itk s VAL 178 Cb -0.01 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3itk s VAL 178 CO -0.07 0.54 -0.21 -0.22 0.00 0.00 0.00 175.10 175.14 3itk s LEU 179 N -0.09 2.10 -0.09 3.92 2.96 -1.26 0.05 118.68 126.27 3itk s LEU 179 Ca 0.00 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3itk s LEU 179 Cb -0.13 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.14 3itk s LEU 179 CO 0.03 0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.46 3itk s ILE 180 N 0.94 0.62 -0.11 6.68 1.01 -0.47 -3.79 121.20 126.08 3itk s ILE 180 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 3itk s ILE 180 Cb -0.15 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 3itk s ILE 180 CO -0.05 0.29 -0.02 -0.83 0.00 0.00 0.00 174.94 174.33 3itk s GLY 181 N 1.87 1.78 0.22 6.18 0.00 0.88 -1.34 107.32 116.92 3itk s GLY 181 Ca 0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 3itk s GLY 181 CO -0.06 -0.42 0.53 -0.32 0.00 0.00 0.00 173.10 172.83 3itk s GLY 182 N -0.46 0.13 0.74 0.20 0.00 -0.52 -0.99 107.32 106.42 3itk s GLY 182 Ca 0.08 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 3itk s GLY 182 CO 0.02 -0.37 1.23 0.99 0.00 0.00 0.00 173.10 174.97 3itk s ASP 183 N -2.93 4.09 -1.27 1.64 1.01 -1.26 -3.58 116.67 114.36 3itk s ASP 183 Ca 0.14 2.43 -0.05 0.00 0.71 0.00 0.00 52.55 55.78 3itk s ASP 183 Cb -0.02 -2.60 0.16 0.00 1.01 0.00 0.00 42.92 41.47 3itk s ASP 183 CO 0.03 -2.34 2.27 -1.84 0.21 0.00 0.00 175.17 173.49 3itk n GLU 184 N -2.71 4.69 -4.29 8.23 0.28 -1.26 -3.73 120.64 121.85 3itk n GLU 184 Ca 0.14 -3.67 -0.16 0.00 -0.16 0.00 0.00 57.16 53.32 3itk n GLU 184 Cb 0.50 -2.62 -0.10 0.00 1.43 0.00 0.00 31.44 30.65 3itk n GLU 184 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3itk s THR 185 N -1.61 1.30 0.24 3.84 -4.23 -1.26 -5.02 115.64 108.90 3itk s THR 185 Ca 0.51 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.87 3itk s THR 185 Cb 0.18 -1.97 0.20 0.00 1.34 0.00 0.00 72.50 72.25 3itk s THR 185 CO -0.09 -0.65 1.80 -0.65 -0.54 0.00 0.00 174.62 174.48 3itk h PRO 186 N 2.68 0.70 -0.28 3.99 0.11 -1.99 -0.02 132.00 137.20 3itk h PRO 186 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3itk h PRO 186 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3itk h PRO 186 CO 0.63 0.47 0.18 0.93 -0.21 0.00 0.00 178.00 179.99 3itk h GLU 187 N 0.72 0.37 -0.81 1.05 4.39 -1.96 -1.83 114.58 116.52 3itk h GLU 187 Ca 0.37 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 3itk h GLU 187 Cb 0.35 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3itk h GLU 187 CO -0.25 0.27 0.48 0.78 -1.16 0.00 0.00 179.01 179.13 3itk h GLY 188 N 0.36 1.17 1.58 -3.84 0.00 -1.62 -1.76 103.07 98.97 3itk h GLY 188 Ca 0.10 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3itk h GLY 188 CO -0.02 0.48 -0.38 1.46 0.00 0.00 0.00 176.54 178.08 3itk h GLN 189 N 1.11 0.47 -0.40 4.80 1.08 -0.90 0.52 115.11 121.78 3itk h GLN 189 Ca 0.29 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3itk h GLN 189 Cb -0.03 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3itk h GLN 189 CO -0.05 0.78 0.15 0.00 -0.95 0.00 0.00 178.83 178.76 3itk h ARG 190 N 0.39 0.60 -0.23 1.46 3.08 -0.89 0.73 114.38 119.52 3itk h ARG 190 Ca 0.04 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3itk h ARG 190 Cb 0.84 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3itk h ARG 190 CO 0.07 0.58 0.13 0.00 -1.07 0.00 0.00 179.97 179.68 3itk h ALA 191 N 1.00 0.30 -0.55 0.04 0.00 -1.16 -1.56 119.26 117.32 3itk h ALA 191 Ca 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3itk h ALA 191 Cb 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3itk h ALA 191 CO -0.01 -0.19 0.28 0.28 0.00 0.00 0.00 179.25 179.61 3itk h VAL 192 N 0.28 0.94 -0.63 0.00 2.07 -0.66 -2.41 116.25 115.83 3itk h VAL 192 Ca 0.08 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3itk h VAL 192 Cb 0.04 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3itk h VAL 192 CO -0.01 0.10 0.17 1.56 0.02 0.00 0.00 177.57 179.41 3itk h GLN 193 N 0.53 0.98 -0.65 1.57 1.08 -0.57 -1.56 115.11 116.49 3itk h GLN 193 Ca 0.25 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3itk h GLN 193 Cb 0.17 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3itk h GLN 193 CO -0.18 0.86 0.38 0.00 -0.95 0.00 0.00 178.83 178.94 3itk h ALA 194 N 1.25 0.83 -0.13 3.87 0.00 -0.81 -1.20 119.26 123.06 3itk h ALA 194 Ca 0.21 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3itk h ALA 194 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3itk h ALA 194 CO -0.00 0.32 -0.64 1.25 0.00 0.00 0.00 179.25 180.17 3itk h LEU 195 N 0.88 0.57 -0.62 0.00 5.85 -1.20 -2.45 115.31 118.34 3itk h LEU 195 Ca 0.23 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3itk h LEU 195 Cb -0.01 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 3itk h LEU 195 CO -0.04 1.06 0.23 0.00 -0.34 0.00 0.00 178.44 179.35 3itk h ALA 197 N 1.43 1.75 0.52 0.00 0.00 -0.75 0.27 119.26 122.48 3itk h ALA 197 Ca 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3itk h ALA 197 Cb 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3itk h ALA 197 CO -0.32 0.19 -0.25 0.28 0.00 0.00 0.00 179.25 179.16 3itk h VAL 198 N 0.17 0.46 0.00 0.00 2.07 -1.21 -3.06 116.25 114.69 3itk h VAL 198 Ca 0.04 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3itk h VAL 198 Cb 0.15 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3itk h VAL 198 CO 0.00 0.03 -0.09 1.88 0.02 0.00 0.00 177.57 179.41 3itk h TYR 199 N -0.82 0.00 0.00 1.57 -1.99 -0.88 -2.31 116.97 112.54 3itk h TYR 199 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 3itk h TYR 199 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 3itk h TYR 199 CO -0.02 0.09 0.00 0.39 -0.00 0.00 0.00 178.16 178.62 3itk n GLU 200 N -4.28 0.17 0.20 4.88 1.02 0.84 -0.52 120.64 122.96 3itk n GLU 200 Ca -0.03 0.53 0.13 0.00 -0.02 0.00 0.00 57.16 57.78 3itk n GLU 200 Cb 0.17 -1.92 0.74 0.00 -0.02 0.00 0.00 31.44 30.40 3itk n GLU 200 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3itk h HIS 201 N 0.00 0.00 0.00 -0.32 3.86 -1.43 -3.36 115.15 113.90 3itk h HIS 201 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3itk h HIS 201 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3itk h HIS 201 CO 0.00 0.00 0.00 -2.67 0.86 0.00 0.00 177.93 176.12 3itk n TRP 202 N -4.23 0.00 -4.37 2.45 2.14 -0.83 -5.02 117.44 107.58 3itk n TRP 202 Ca 0.00 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.24 3itk n TRP 202 Cb 0.24 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.62 3itk n TRP 202 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3itk s VAL 203 N 0.00 3.95 0.39 -1.67 1.01 0.32 -5.01 120.40 119.39 3itk s VAL 203 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 3itk s VAL 203 Cb 0.00 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 3itk s VAL 203 CO 0.00 0.49 1.30 -2.84 0.00 0.00 0.00 175.10 174.05 3itk s PRO 204 N 0.36 4.05 0.48 2.72 0.02 -1.26 -4.24 135.00 137.13 3itk s PRO 204 Ca -0.04 2.16 0.24 0.00 0.02 0.00 0.00 61.00 63.39 3itk s PRO 204 Cb -0.14 -2.82 1.29 0.00 0.02 0.00 0.00 34.50 32.85 3itk s PRO 204 CO 0.03 -0.43 1.89 -0.09 -0.33 0.00 0.00 177.00 178.07 3itk h ARG 205 N 2.81 0.18 0.00 5.54 9.65 -1.95 0.13 114.38 130.75 3itk h ARG 205 Ca -0.49 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3itk h ARG 205 Cb 1.24 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3itk h ARG 205 CO 0.63 0.12 0.00 1.05 2.80 0.00 0.00 179.97 184.57 3itk h GLU 206 N 0.19 0.00 -0.10 0.20 9.09 -2.03 -2.29 114.58 119.63 3itk h GLU 206 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 3itk h GLU 206 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 3itk h GLU 206 CO -0.08 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.61 3itk n LYS 207 N -2.52 1.98 -3.60 1.06 5.02 0.03 -4.82 118.16 115.31 3itk n LYS 207 Ca 0.02 -1.44 -0.40 0.00 -2.02 0.00 0.00 58.31 54.48 3itk n LYS 207 Cb 0.30 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 3itk n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3itk s ILE 208 N -1.89 4.74 -0.22 -0.18 1.01 -0.86 -0.82 121.20 122.97 3itk s ILE 208 Ca 0.34 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 3itk s ILE 208 Cb 0.20 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3itk s ILE 208 CO 0.31 -0.09 0.07 -0.22 0.00 0.00 0.00 174.94 175.01 3itk s LEU 209 N 1.61 3.59 -0.10 2.97 2.96 0.11 -4.97 118.68 124.85 3itk s LEU 209 Ca 0.04 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3itk s LEU 209 Cb -0.18 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3itk s LEU 209 CO 0.07 0.05 0.02 0.42 -1.32 0.00 0.00 176.35 175.59 3itk s THR 210 N 1.13 4.47 0.35 3.68 -4.23 -1.26 -1.37 115.64 118.40 3itk s THR 210 Ca 0.04 -0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3itk s THR 210 Cb -0.14 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3itk s THR 210 CO 0.03 0.59 0.40 0.35 -0.54 0.00 0.00 174.62 175.46 3itk n THR 211 N 2.30 0.00 -1.58 3.99 -2.24 -0.45 -4.97 114.28 111.33 3itk n THR 211 Ca -0.19 -2.10 -0.29 0.00 -2.27 0.00 0.00 64.05 59.21 3itk n THR 211 Cb 0.54 1.16 0.11 0.00 -2.10 0.00 0.00 70.33 70.04 3itk n THR 211 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itk s ASN 212 N -3.27 4.07 0.14 3.42 2.20 -1.26 -1.43 114.94 118.81 3itk s ASN 212 Ca 0.34 1.11 -0.13 0.00 -0.94 0.00 0.00 52.86 53.24 3itk s ASN 212 Cb 0.00 -1.76 -0.01 0.00 -2.00 0.00 0.00 41.25 37.49 3itk s ASN 212 CO 0.24 -2.21 1.57 0.74 -2.94 0.00 0.00 177.10 174.50 3itk h THR 213 N -1.26 1.27 -0.55 0.54 2.02 -1.80 -2.47 112.91 110.65 3itk h THR 213 Ca -0.49 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 65.50 3itk h THR 213 Cb 1.30 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3itk h THR 213 CO 0.61 0.38 0.01 -0.50 0.37 0.00 0.00 175.52 176.39 3itk h TRP 214 N 0.64 1.01 -0.82 3.16 6.55 -1.93 -2.04 115.95 122.53 3itk h TRP 214 Ca 0.12 -0.16 -0.00 0.00 0.95 0.00 0.00 58.89 59.80 3itk h TRP 214 Cb 0.55 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 28.54 3itk h TRP 214 CO 0.04 0.91 0.49 0.77 -1.05 0.00 0.00 178.44 179.60 3itk h SER 215 N 0.87 0.98 0.01 -3.49 0.02 -1.92 -0.64 113.55 109.38 3itk h SER 215 Ca 0.16 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3itk h SER 215 Cb 0.50 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3itk h SER 215 CO 0.02 0.76 -0.00 -1.28 -1.14 0.00 0.00 176.83 175.19 3itk h SER 216 N 1.12 -0.01 -0.49 3.07 0.87 -1.20 0.60 113.55 117.51 3itk h SER 216 Ca 0.29 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3itk h SER 216 Cb -0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3itk h SER 216 CO -0.06 0.17 0.28 -0.33 -0.53 0.00 0.00 176.83 176.36 3itk h GLU 217 N -0.19 0.68 -0.15 2.24 5.08 -1.22 -2.96 114.58 118.06 3itk h GLU 217 Ca -0.00 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3itk h GLU 217 Cb 0.18 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3itk h GLU 217 CO 0.00 0.52 -0.28 1.25 -1.00 0.00 0.00 179.01 179.50 3itk h LEU 218 N 0.65 0.29 -0.88 1.33 5.85 -0.94 -2.97 115.31 118.63 3itk h LEU 218 Ca 0.17 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3itk h LEU 218 Cb 0.03 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3itk h LEU 218 CO -0.03 0.57 0.47 0.28 -0.34 0.00 0.00 178.44 179.38 3itk h SER 219 N 0.26 1.11 -0.00 1.25 0.02 -0.72 0.67 113.55 116.15 3itk h SER 219 Ca 0.04 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3itk h SER 219 Cb 0.63 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 3itk h SER 219 CO 0.05 0.91 0.00 0.50 -1.14 0.00 0.00 176.83 177.14 3itk h LYS 220 N 1.24 0.00 -0.16 3.45 1.63 -1.41 0.15 116.57 121.47 3itk h LYS 220 Ca 0.31 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.10 3itk h LYS 220 Cb 0.05 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 3itk h LYS 220 CO -0.05 0.11 0.08 -0.07 -3.45 0.00 0.00 179.45 176.07 3itk h LEU 221 N -0.10 0.21 -1.20 5.20 3.38 -1.51 -3.16 115.31 118.13 3itk h LEU 221 Ca 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3itk h LEU 221 Cb 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3itk h LEU 221 CO -0.00 0.28 0.22 0.00 0.09 0.00 0.00 178.44 179.02 3itk h ALA 222 N 0.95 1.37 -0.31 1.53 0.00 -0.78 -2.31 119.26 119.72 3itk h ALA 222 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3itk h ALA 222 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3itk h ALA 222 CO -0.01 0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.88 3itk h ALA 223 N 1.48 0.40 -0.17 0.00 0.00 -0.93 -1.19 119.26 118.84 3itk h ALA 223 Ca 0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3itk h ALA 223 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3itk h ALA 223 CO -0.02 -0.06 -0.34 -0.91 0.00 0.00 0.00 179.25 177.92 3itk h ASN 224 N 0.37 0.36 -0.49 0.00 2.35 -1.49 -2.34 115.58 114.35 3itk h ASN 224 Ca 0.11 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3itk h ASN 224 Cb 0.09 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3itk h ASN 224 CO -0.02 0.69 0.23 0.00 -1.65 0.00 0.00 177.43 176.68 3itk h ALA 225 N 1.34 0.63 -0.72 -0.83 0.00 -1.06 -1.37 119.26 117.25 3itk h ALA 225 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3itk h ALA 225 Cb 0.75 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3itk h ALA 225 CO 0.06 0.21 0.36 0.74 0.00 0.00 0.00 179.25 180.61 3itk h PHE 226 N 0.65 1.03 0.03 0.00 -1.00 -1.04 -0.22 116.94 116.39 3itk h PHE 226 Ca 0.17 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 3itk h PHE 226 Cb 0.13 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.37 3itk h PHE 226 CO -0.00 0.76 -0.02 -0.07 -1.61 0.00 0.00 178.31 177.37 3itk h LEU 227 N 1.01 -0.04 -1.43 1.54 3.38 -1.23 -2.65 115.31 115.90 3itk h LEU 227 Ca 0.25 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3itk h LEU 227 Cb 0.10 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3itk h LEU 227 CO -0.03 0.15 0.47 0.00 0.09 0.00 0.00 178.44 179.12 3itk h ALA 228 N 0.74 1.79 -0.47 1.53 0.00 -1.07 -1.79 119.26 119.99 3itk h ALA 228 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3itk h ALA 228 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3itk h ALA 228 CO 0.01 0.07 0.08 0.37 0.00 0.00 0.00 179.25 179.78 3itk h GLN 229 N 0.66 0.72 -0.83 0.00 4.15 -0.72 -1.85 115.11 117.25 3itk h GLN 229 Ca 0.32 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3itk h GLN 229 Cb 0.38 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 3itk h GLN 229 CO -0.11 0.68 0.48 0.00 -1.93 0.00 0.00 178.83 177.95 3itk h ARG 230 N 0.69 1.13 -0.17 1.69 3.08 -0.99 0.17 114.38 119.98 3itk h ARG 230 Ca 0.15 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3itk h ARG 230 Cb 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3itk h ARG 230 CO 0.00 0.80 -0.42 0.82 -1.07 0.00 0.00 179.97 180.11 3itk h ILE 231 N 1.14 1.34 -0.07 2.04 2.04 -1.44 -1.74 117.51 120.82 3itk h ILE 231 Ca 0.29 -1.67 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 3itk h ILE 231 Cb -0.02 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3itk h ILE 231 CO -0.05 0.51 -0.38 0.28 0.00 0.00 0.00 178.15 178.51 3itk h SER 232 N 0.25 0.14 -0.15 1.72 0.02 -1.13 -0.43 113.55 113.97 3itk h SER 232 Ca -0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3itk h SER 232 Cb 1.03 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 3itk h SER 232 CO 0.09 0.52 -0.07 0.28 -1.14 0.00 0.00 176.83 176.51 3itk h SER 233 N 0.12 0.32 0.18 3.07 0.02 -0.55 -0.73 113.55 115.98 3itk h SER 233 Ca 0.01 -0.41 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 3itk h SER 233 Cb 0.74 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3itk h SER 233 CO 0.06 0.66 -0.43 -0.29 -1.14 0.00 0.00 176.83 175.69 3itk h ILE 234 N -0.02 1.32 -0.37 3.27 6.09 -1.20 -2.10 117.51 124.51 3itk h ILE 234 Ca 0.03 -1.58 -0.05 0.00 -1.37 0.00 0.00 64.86 61.89 3itk h ILE 234 Cb 0.54 1.69 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 3itk h ILE 234 CO 0.02 0.48 0.01 0.78 -3.07 0.00 0.00 178.15 176.37 3itk h ASN 235 N 0.27 0.54 -0.62 2.19 2.35 -1.03 0.22 115.58 119.49 3itk h ASN 235 Ca 0.02 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 3itk h ASN 235 Cb 0.87 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 3itk h ASN 235 CO 0.07 0.60 0.08 0.77 -1.65 0.00 0.00 177.43 177.30 3itk h SER 236 N 0.55 1.02 -0.29 5.81 4.64 -0.59 -2.37 113.55 122.32 3itk h SER 236 Ca 0.12 -0.25 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 3itk h SER 236 Cb 0.34 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3itk h SER 236 CO 0.01 1.02 -0.07 0.40 -0.87 0.00 0.00 176.83 177.33 3itk h ILE 237 N 0.99 1.24 -0.68 0.95 1.08 -0.72 -2.87 117.51 117.49 3itk h ILE 237 Ca 0.19 -1.04 0.05 0.00 -0.39 0.00 0.00 64.86 63.68 3itk h ILE 237 Cb 0.46 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 3itk h ILE 237 CO 0.02 0.35 0.45 0.77 -0.69 0.00 0.00 178.15 179.05 3itk h SER 238 N 0.63 0.64 -0.70 1.72 4.64 -0.44 0.90 113.55 120.94 3itk h SER 238 Ca 0.12 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3itk h SER 238 Cb 0.49 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3itk h SER 238 CO 0.03 0.43 0.25 0.00 -0.87 0.00 0.00 176.83 176.66 3itk h ALA 239 N 1.62 0.91 -0.16 5.18 0.00 -1.30 -2.43 119.26 123.08 3itk h ALA 239 Ca 0.29 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3itk h ALA 239 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3itk h ALA 239 CO -0.09 0.56 -0.42 1.25 0.00 0.00 0.00 179.25 180.55 3itk h LEU 240 N 1.01 0.38 -0.44 0.00 5.85 -1.11 -2.66 115.31 118.34 3itk h LEU 240 Ca 0.23 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3itk h LEU 240 Cb 0.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3itk h LEU 240 CO -0.01 0.76 0.10 0.00 -0.34 0.00 0.00 178.44 178.95 3itk h GLU 242 N 0.57 0.38 0.00 0.00 5.08 -1.20 -0.59 114.58 118.81 3itk h GLU 242 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3itk h GLU 242 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3itk h GLU 242 CO 0.00 0.27 -0.39 0.00 -1.00 0.00 0.00 179.01 177.89 3itk h ALA 243 N 1.80 0.76 0.00 3.43 0.00 -1.19 -3.40 119.26 120.67 3itk h ALA 243 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3itk h ALA 243 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3itk h ALA 243 CO -0.02 0.00 -0.93 0.25 0.00 0.00 0.00 179.25 178.55 3itk n THR 244 N -2.39 0.00 0.00 0.00 -2.24 -0.92 -5.03 114.28 103.70 3itk n THR 244 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3itk n THR 244 Cb 0.47 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3itk n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itk n GLY 245 N 2.34 0.33 3.69 3.38 0.00 -0.28 -5.07 105.19 109.59 3itk n GLY 245 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3itk n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk s ALA 246 N -2.00 1.31 -0.14 4.61 0.00 -1.19 -4.99 121.76 119.35 3itk s ALA 246 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3itk s ALA 246 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3itk s ALA 246 CO 0.00 -2.55 -0.21 0.34 0.00 0.00 0.00 175.76 173.33 3itk s ASP 247 N -3.31 3.06 0.45 0.00 -1.08 -1.26 -4.50 116.67 110.03 3itk s ASP 247 Ca 0.64 -0.59 0.13 0.00 -0.52 0.00 0.00 52.55 52.21 3itk s ASP 247 Cb -0.19 -1.42 1.00 0.00 -1.46 0.00 0.00 42.92 40.85 3itk s ASP 247 CO 0.58 0.07 2.01 1.62 0.52 0.00 0.00 175.17 179.97 3itk h VAL 248 N 5.84 1.11 -0.44 1.11 3.04 -1.50 -1.69 116.25 123.73 3itk h VAL 248 Ca -0.33 -0.49 -0.13 0.00 -1.01 0.00 0.00 66.70 64.75 3itk h VAL 248 Cb 1.19 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 3itk h VAL 248 CO 0.55 0.15 -0.23 -0.33 -1.01 0.00 0.00 177.57 176.70 3itk h GLU 249 N 0.10 0.90 -0.45 4.17 4.39 -1.94 0.15 114.58 121.90 3itk h GLU 249 Ca 0.02 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 3itk h GLU 249 Cb 0.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3itk h GLU 249 CO 0.01 1.03 0.14 0.93 -1.16 0.00 0.00 179.01 179.97 3itk h GLU 250 N 0.78 0.71 -0.38 2.33 5.08 -1.78 -1.74 114.58 119.58 3itk h GLU 250 Ca 0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3itk h GLU 250 Cb 0.79 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3itk h GLU 250 CO 0.07 0.68 0.03 0.28 -1.00 0.00 0.00 179.01 179.07 3itk h VAL 251 N 0.60 1.25 -0.78 3.13 2.07 -1.15 -1.99 116.25 119.37 3itk h VAL 251 Ca 0.15 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3itk h VAL 251 Cb 0.27 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3itk h VAL 251 CO -0.00 0.31 0.50 0.00 0.02 0.00 0.00 177.57 178.40 3itk h ALA 252 N 0.89 1.02 -0.44 1.67 0.00 -0.63 -0.46 119.26 121.31 3itk h ALA 252 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3itk h ALA 252 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3itk h ALA 252 CO 0.01 0.32 0.15 1.15 0.00 0.00 0.00 179.25 180.89 3itk h THR 253 N 0.98 1.21 -0.47 0.00 2.02 -1.13 0.10 112.91 115.62 3itk h THR 253 Ca 0.31 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3itk h THR 253 Cb -0.01 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3itk h THR 253 CO -0.11 0.25 0.22 0.00 0.37 0.00 0.00 175.52 176.25 3itk h ALA 254 N 1.00 0.60 -0.10 6.16 0.00 -0.82 -2.52 119.26 123.60 3itk h ALA 254 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3itk h ALA 254 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3itk h ALA 254 CO -0.01 0.17 0.03 0.82 0.00 0.00 0.00 179.25 180.27 3itk h ILE 255 N 0.61 1.17 0.00 0.00 2.04 -0.98 -3.24 117.51 117.11 3itk h ILE 255 Ca 0.16 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3itk h ILE 255 Cb 0.13 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3itk h ILE 255 CO -0.02 0.15 0.00 1.23 0.00 0.00 0.00 178.15 179.51 3itk h GLY 256 N -0.03 0.00 2.00 5.37 0.00 -0.87 -2.39 103.07 107.15 3itk h GLY 256 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3itk h GLY 256 CO -0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.21 3itk h MET 257 N 0.00 0.00 -6.31 4.80 2.86 -1.48 -3.04 114.93 111.76 3itk h MET 257 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 3itk h MET 257 Cb 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3itk h MET 257 CO 0.00 0.00 1.11 0.34 1.06 0.00 0.00 176.91 179.42 3itk s ASP 258 N -5.35 6.38 0.46 1.22 -1.08 -0.90 -4.87 116.67 112.53 3itk s ASP 258 Ca 0.06 1.47 0.31 0.00 -0.52 0.00 0.00 52.55 53.87 3itk s ASP 258 Cb 0.08 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.55 3itk s ASP 258 CO 0.57 -1.28 1.95 1.56 0.52 0.00 0.00 175.17 178.49 3itk h GLN 259 N 10.66 0.00 0.00 4.34 4.20 -1.88 -0.44 115.11 131.99 3itk h GLN 259 Ca -0.32 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 3itk h GLN 259 Cb 1.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 3itk h GLN 259 CO 1.02 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 179.08 3itk h ARG 260 N 0.00 0.00 0.02 1.46 3.08 -1.93 -3.31 114.38 113.70 3itk h ARG 260 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 3itk h ARG 260 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 3itk h ARG 260 CO 0.00 0.09 -2.27 -0.89 -1.07 0.00 0.00 179.97 175.84 3itk n ILE 261 N -3.15 1.56 0.00 2.04 5.41 -0.31 -5.13 119.36 119.78 3itk n ILE 261 Ca 0.02 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3itk n ILE 261 Cb 0.49 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 3itk n ILE 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3itk n GLY 262 N 1.78 -1.96 1.21 7.39 0.00 -0.41 -4.79 105.19 108.41 3itk n GLY 262 Ca -0.45 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.17 3itk n GLY 262 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3itk n ASN 263 N -1.87 3.73 -4.88 1.61 0.23 -1.15 -4.30 115.26 108.63 3itk n ASN 263 Ca 0.00 -1.99 -0.32 0.00 -0.53 0.00 0.00 54.58 51.74 3itk n ASN 263 Cb 0.00 -0.42 -0.05 0.00 -2.08 0.00 0.00 39.78 37.23 3itk n ASN 263 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3itk s LYS 264 N -1.04 3.71 -1.42 -3.83 -0.14 -1.26 -4.38 119.74 111.38 3itk s LYS 264 Ca 0.44 0.10 -0.06 0.00 -1.36 0.00 0.00 55.97 55.09 3itk s LYS 264 Cb 0.23 -2.76 0.01 0.00 -1.68 0.00 0.00 37.83 33.62 3itk s LYS 264 CO 0.30 0.40 0.74 1.19 -0.76 0.00 0.00 175.35 177.22 3itk n PHE 265 N 0.02 -2.12 -1.75 3.18 3.72 -1.26 -4.90 117.46 114.35 3itk n PHE 265 Ca -0.01 0.63 0.05 0.00 -0.05 0.00 0.00 57.45 58.07 3itk n PHE 265 Cb 0.52 -4.47 0.18 0.00 -0.94 0.00 0.00 39.48 34.76 3itk n PHE 265 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3itk n LEU 266 N -4.10 2.51 -4.39 4.37 4.77 -1.26 -3.86 117.00 115.04 3itk n LEU 266 Ca -0.07 -3.65 -0.43 0.00 -0.03 0.00 0.00 56.01 51.83 3itk n LEU 266 Cb 0.60 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3itk n LEU 266 CO 0.50 1.29 -0.05 -0.75 -1.33 0.00 0.00 177.39 177.05 3itk s LYS 267 N -2.77 2.90 0.60 3.23 2.47 -1.26 -4.84 119.74 120.06 3itk s LYS 267 Ca 0.38 -1.23 -0.20 0.00 -1.56 0.00 0.00 55.97 53.36 3itk s LYS 267 Cb 0.37 -3.98 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 3itk s LYS 267 CO -0.08 -0.89 1.34 0.00 0.16 0.00 0.00 175.35 175.88 3itk n ALA 268 N 5.12 1.42 -3.84 3.13 0.00 -1.26 -4.96 120.51 120.12 3itk n ALA 268 Ca -0.12 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 3itk n ALA 268 Cb 0.45 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 3itk n ALA 268 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3itk s SER 269 N -1.13 -0.15 0.57 0.00 1.04 -1.26 -4.82 113.70 107.94 3itk s SER 269 Ca 0.77 -0.82 0.32 0.00 0.48 0.00 0.00 55.95 56.70 3itk s SER 269 Cb -0.40 0.77 1.70 0.00 0.10 0.00 0.00 66.02 68.19 3itk s SER 269 CO 0.45 -1.48 2.16 1.62 0.98 0.00 0.00 173.24 176.97 3itk h VAL 270 N 2.00 0.40 0.00 5.02 3.04 -1.42 -3.46 116.25 121.83 3itk h VAL 270 Ca -0.24 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3itk h VAL 270 Cb 1.25 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 3itk h VAL 270 CO 0.30 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.53 3itk n GLY 271 N -0.82 3.98 3.76 3.17 0.00 -1.26 -3.33 105.19 110.68 3itk n GLY 271 Ca -0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3itk n GLY 271 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3itk s PHE 272 N -1.03 2.46 0.00 1.61 -0.12 -1.26 -4.61 117.98 115.03 3itk s PHE 272 Ca 0.00 1.56 0.00 0.00 -0.05 0.00 0.00 56.93 58.44 3itk s PHE 272 Cb 0.00 -3.31 0.00 0.00 -0.63 0.00 0.00 43.02 39.08 3itk s PHE 272 CO 0.00 -1.95 0.00 0.41 -0.05 0.00 0.00 175.22 173.63 3itk n GLY 273 N -0.03 4.80 0.00 1.99 0.00 -1.26 -4.72 105.19 105.97 3itk n GLY 273 Ca 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3itk n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itk n GLY 274 N 0.00 1.01 0.26 -0.02 0.00 0.11 -4.60 105.19 101.94 3itk n GLY 274 Ca 0.00 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.24 3itk n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itk n SER 275 N -0.30 0.82 -0.08 1.61 3.41 -1.26 -4.21 113.62 113.61 3itk n SER 275 Ca 0.00 -1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 57.26 3itk n SER 275 Cb 0.00 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3itk n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3itk h PHE 277 N -0.18 -0.44 -0.39 0.00 0.04 -1.81 -0.66 116.94 113.50 3itk h PHE 277 Ca -0.37 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.41 3itk h PHE 277 Cb 1.49 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 39.76 3itk h PHE 277 CO -0.00 -0.15 0.22 0.37 -0.60 0.00 0.00 178.31 178.15 3itk h GLN 278 N -1.02 0.43 0.20 1.51 4.15 -1.89 -1.80 115.11 116.69 3itk h GLN 278 Ca -0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3itk h GLN 278 Cb 0.49 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 3itk h GLN 278 CO 0.08 0.29 -0.13 -0.22 -1.93 0.00 0.00 178.83 176.92 3itk h LYS 279 N 0.44 -0.31 -0.86 1.69 3.64 -1.81 -1.57 116.57 117.79 3itk h LYS 279 Ca 0.16 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3itk h LYS 279 Cb 0.03 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3itk h LYS 279 CO -0.09 -0.21 0.56 -0.44 -2.27 0.00 0.00 179.45 177.00 3itk h ASP 280 N -0.32 1.00 -0.55 4.20 5.19 -1.06 -1.17 116.42 123.71 3itk h ASP 280 Ca -0.02 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 3itk h ASP 280 Cb 0.27 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 3itk h ASP 280 CO 0.01 0.74 0.09 0.58 -3.12 0.00 0.00 179.24 177.54 3itk h VAL 281 N 1.17 1.25 -0.00 -1.35 2.07 -1.09 -1.69 116.25 116.61 3itk h VAL 281 Ca 0.31 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3itk h VAL 281 Cb -0.11 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3itk h VAL 281 CO -0.07 0.35 -0.37 -0.07 0.02 0.00 0.00 177.57 177.44 3itk h LEU 282 N 0.81 0.01 -0.08 2.57 3.38 -1.11 0.12 115.31 121.01 3itk h LEU 282 Ca 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3itk h LEU 282 Cb 0.41 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3itk h LEU 282 CO 0.01 0.38 -0.10 -1.13 0.09 0.00 0.00 178.44 177.69 3itk h ASN 283 N 0.01 0.22 -0.61 -0.43 -0.00 -0.93 -1.88 115.58 111.96 3itk h ASN 283 Ca -0.00 -0.52 0.11 0.00 -0.00 0.00 0.00 56.30 55.89 3itk h ASN 283 Cb 0.66 -0.06 -0.08 0.00 -0.00 0.00 0.00 38.32 38.83 3itk h ASN 283 CO 0.05 0.70 0.18 0.25 -0.00 0.00 0.00 177.43 178.60 3itk h LEU 284 N -0.25 0.11 -0.72 0.34 5.85 -0.99 0.15 115.31 119.80 3itk h LEU 284 Ca 0.01 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3itk h LEU 284 Cb 0.64 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3itk h LEU 284 CO 0.02 0.06 0.39 0.58 -0.34 0.00 0.00 178.44 179.16 3itk h VAL 285 N 0.33 1.22 -0.40 1.05 2.07 -0.70 -1.75 116.25 118.06 3itk h VAL 285 Ca 0.32 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3itk h VAL 285 Cb 0.44 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3itk h VAL 285 CO -0.36 0.24 -0.02 0.22 0.02 0.00 0.00 177.57 177.67 3itk h TYR 286 N 0.99 0.79 -0.52 1.57 3.20 -0.40 -2.46 116.97 120.14 3itk h TYR 286 Ca 0.25 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3itk h TYR 286 Cb 0.04 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 3itk h TYR 286 CO -0.00 0.81 0.27 1.25 -1.64 0.00 0.00 178.16 178.84 3itk h LEU 287 N 0.55 0.38 -0.51 2.82 5.85 -0.45 -1.71 115.31 122.24 3itk h LEU 287 Ca 0.11 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3itk h LEU 287 Cb 0.51 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3itk h LEU 287 CO 0.02 0.26 0.26 0.00 -0.34 0.00 0.00 178.44 178.65 3itk h GLU 289 N 0.51 0.81 0.00 0.00 5.08 -0.95 0.40 114.58 120.43 3itk h GLU 289 Ca 0.22 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3itk h GLU 289 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3itk h GLU 289 CO -0.15 0.89 -0.26 0.00 -1.00 0.00 0.00 179.01 178.49 3itk h ALA 290 N 1.13 1.23 -0.54 3.43 0.00 -0.93 -2.79 119.26 120.78 3itk h ALA 290 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3itk h ALA 290 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3itk h ALA 290 CO 0.04 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.90 3itk n LEU 291 N -3.73 4.23 -3.83 0.00 4.77 -0.70 -4.95 117.00 112.78 3itk n LEU 291 Ca -0.01 -2.13 -0.28 0.00 -0.03 0.00 0.00 56.01 53.55 3itk n LEU 291 Cb 0.37 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3itk n LEU 291 CO 0.35 0.67 0.12 0.59 -1.33 0.00 0.00 177.39 177.79 3itk n ASN 292 N 0.86 -4.69 -3.42 -1.43 3.02 -0.95 -4.93 115.26 103.71 3itk n ASN 292 Ca 0.22 -0.74 -0.30 0.00 -0.03 0.00 0.00 54.58 53.73 3itk n ASN 292 Cb 0.81 -4.13 -0.05 0.00 -0.61 0.00 0.00 39.78 35.80 3itk n ASN 292 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3itk n LEU 293 N -4.70 4.52 0.22 3.41 4.77 0.06 -4.90 117.00 120.39 3itk n LEU 293 Ca -0.00 -5.46 0.06 0.00 -0.03 0.00 0.00 56.01 50.58 3itk n LEU 293 Cb 0.55 -0.77 0.52 0.00 -2.33 0.00 0.00 43.42 41.39 3itk n LEU 293 CO 0.73 2.06 0.89 1.55 -1.33 0.00 0.00 177.39 181.29 3itk h PRO 294 N 4.13 0.00 -0.25 3.23 0.13 -1.91 -1.75 132.00 135.59 3itk h PRO 294 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 3itk h PRO 294 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3itk h PRO 294 CO 0.93 0.20 0.05 0.93 -0.23 0.00 0.00 178.00 179.88 3itk h GLU 295 N 0.00 0.40 -0.35 0.86 3.07 -1.96 -1.39 114.58 115.21 3itk h GLU 295 Ca -0.00 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3itk h GLU 295 Cb 0.37 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3itk h GLU 295 CO 0.03 0.52 -0.16 0.28 -1.40 0.00 0.00 179.01 178.28 3itk h VAL 296 N 0.22 1.26 0.13 3.13 2.07 -1.88 -2.10 116.25 119.07 3itk h VAL 296 Ca 0.08 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3itk h VAL 296 Cb 0.31 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3itk h VAL 296 CO 0.00 0.39 -0.17 0.00 0.02 0.00 0.00 177.57 177.82 3itk h ALA 297 N 1.24 -0.30 0.00 1.67 0.00 -1.18 -1.88 119.26 118.82 3itk h ALA 297 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3itk h ALA 297 Cb 0.61 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3itk h ALA 297 CO 0.04 -0.70 -0.23 0.07 0.00 0.00 0.00 179.25 178.44 3itk h ARG 298 N -0.34 0.00 0.27 0.00 0.11 -1.15 -0.98 114.38 112.29 3itk h ARG 298 Ca 0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 3itk h ARG 298 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3itk h ARG 298 CO -0.07 0.23 -0.13 -0.92 0.10 0.00 0.00 179.97 179.17 3itk h TYR 299 N 0.00 -0.34 0.00 4.08 3.20 -0.98 -3.13 116.97 119.80 3itk h TYR 299 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 3itk h TYR 299 Cb 0.69 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3itk h TYR 299 CO 0.00 -0.01 -0.42 -1.49 -1.64 0.00 0.00 178.16 174.60 3itk h TRP 300 N -0.70 0.00 -0.02 -3.82 4.06 -1.23 -2.84 115.95 111.40 3itk h TRP 300 Ca -0.04 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.92 3itk h TRP 300 Cb 0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3itk h TRP 300 CO 0.02 0.42 0.01 0.37 -3.56 0.00 0.00 178.44 175.71 3itk h GLN 301 N 0.00 0.00 -0.10 0.49 5.75 -1.12 -2.00 115.11 118.12 3itk h GLN 301 Ca -0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3itk h GLN 301 Cb 0.85 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.39 3itk h GLN 301 CO 0.05 0.00 0.08 1.96 -2.65 0.00 0.00 178.83 178.27 3itk h GLN 302 N 0.00 0.00 -0.91 1.69 1.08 -1.45 -1.81 115.11 113.71 3itk h GLN 302 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3itk h GLN 302 Cb 0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 3itk h GLN 302 CO -0.00 0.00 0.53 0.28 -0.95 0.00 0.00 178.83 178.69 3itk h VAL 303 N 0.00 1.25 0.06 -0.54 2.07 -1.55 -0.77 116.25 116.78 3itk h VAL 303 Ca 0.05 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3itk h VAL 303 Cb 0.20 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3itk h VAL 303 CO -0.00 0.27 -0.03 0.40 0.02 0.00 0.00 177.57 178.23 3itk h ILE 304 N 1.26 1.25 -0.92 4.57 1.08 -1.55 -2.81 117.51 120.39 3itk h ILE 304 Ca 0.32 -1.36 0.15 0.00 -0.39 0.00 0.00 64.86 63.58 3itk h ILE 304 Cb -0.03 2.10 -0.07 0.00 -3.07 0.00 0.00 36.82 35.74 3itk h ILE 304 CO -0.06 0.32 0.59 0.44 -0.69 0.00 0.00 178.15 178.75 3itk h ASP 305 N -0.73 0.69 -0.25 1.72 3.32 -1.26 -0.21 116.42 119.69 3itk h ASP 305 Ca -0.01 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 3itk h ASP 305 Cb 0.60 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3itk h ASP 305 CO 0.01 0.34 -0.44 -0.03 -1.72 0.00 0.00 179.24 177.40 3itk h MET 306 N 0.73 0.82 -0.38 3.56 4.05 -1.20 0.12 114.93 122.62 3itk h MET 306 Ca 0.47 -0.46 -0.10 0.00 -0.28 0.00 0.00 59.70 59.33 3itk h MET 306 Cb 0.72 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 3itk h MET 306 CO -0.22 1.09 -0.19 -0.97 0.23 0.00 0.00 176.91 176.85 3itk h ASN 307 N 0.65 0.72 -0.33 1.39 -1.24 -1.00 -0.36 115.58 115.40 3itk h ASN 307 Ca 0.04 -0.24 -0.11 0.00 0.71 0.00 0.00 56.30 56.70 3itk h ASN 307 Cb 1.02 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 3itk h ASN 307 CO 0.10 0.90 -0.23 0.44 -1.29 0.00 0.00 177.43 177.35 3itk h ASP 308 N 0.64 0.79 -0.67 1.15 3.32 -0.82 -2.73 116.42 118.08 3itk h ASP 308 Ca 0.10 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.74 3itk h ASP 308 Cb 0.67 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3itk h ASP 308 CO 0.05 1.05 0.42 0.22 -1.72 0.00 0.00 179.24 179.26 3itk h TYR 309 N 0.52 0.78 -0.73 4.55 3.20 -0.53 -0.35 116.97 124.42 3itk h TYR 309 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3itk h TYR 309 Cb 0.79 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 3itk h TYR 309 CO 0.06 0.45 0.26 0.37 -1.64 0.00 0.00 178.16 177.67 3itk h GLN 310 N 0.82 1.11 -0.12 1.82 5.75 -1.00 -0.33 115.11 123.16 3itk h GLN 310 Ca 0.27 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3itk h GLN 310 Cb 0.02 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 3itk h GLN 310 CO -0.10 0.93 0.03 0.00 -2.65 0.00 0.00 178.83 177.03 3itk h ARG 311 N 1.06 0.19 -0.18 1.69 3.08 -1.14 -2.73 114.38 116.35 3itk h ARG 311 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3itk h ARG 311 Cb 0.26 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3itk h ARG 311 CO -0.01 0.36 0.12 -0.09 -1.07 0.00 0.00 179.97 179.27 3itk h ARG 312 N -0.02 0.23 0.00 0.04 2.43 -0.73 -1.61 114.38 114.72 3itk h ARG 312 Ca 0.04 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3itk h ARG 312 Cb 0.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3itk h ARG 312 CO 0.00 0.15 -0.37 0.07 -1.51 0.00 0.00 179.97 178.31 3itk h ARG 313 N 0.24 0.00 -0.08 0.20 0.11 -1.11 0.15 114.38 113.89 3itk h ARG 313 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 3itk h ARG 313 Cb -0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.06 3itk h ARG 313 CO -0.02 0.37 0.02 0.35 0.10 0.00 0.00 179.97 180.79 3itk h PHE 314 N 0.00 0.14 -0.66 4.08 3.57 -1.21 0.11 116.94 122.96 3itk h PHE 314 Ca -0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 3itk h PHE 314 Cb 0.66 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 3itk h PHE 314 CO 0.00 0.32 0.34 0.00 -2.23 0.00 0.00 178.31 176.74 3itk h ALA 315 N 0.80 0.89 -0.75 2.41 0.00 -0.77 -2.42 119.26 119.42 3itk h ALA 315 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3itk h ALA 315 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3itk h ALA 315 CO 0.00 -0.01 0.31 0.77 0.00 0.00 0.00 179.25 180.32 3itk h SER 316 N 0.62 1.02 -0.89 0.00 0.02 -0.50 -1.08 113.55 112.73 3itk h SER 316 Ca 0.31 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3itk h SER 316 Cb 0.25 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3itk h SER 316 CO -0.22 0.90 0.49 0.03 -1.14 0.00 0.00 176.83 176.89 3itk h ARG 317 N 1.08 1.24 0.31 3.45 3.08 -0.50 0.21 114.38 123.25 3itk h ARG 317 Ca 0.25 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3itk h ARG 317 Cb 0.19 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3itk h ARG 317 CO -0.02 0.90 -0.15 0.82 -1.07 0.00 0.00 179.97 180.45 3itk h ILE 318 N 1.25 0.71 -0.63 2.04 2.04 -1.06 -1.91 117.51 119.95 3itk h ILE 318 Ca 0.31 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3itk h ILE 318 Cb 0.02 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3itk h ILE 318 CO -0.05 0.07 0.39 0.40 0.00 0.00 0.00 178.15 178.96 3itk h ILE 319 N -0.61 1.08 -0.57 -0.67 2.04 -1.11 -1.82 117.51 115.85 3itk h ILE 319 Ca -0.04 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3itk h ILE 319 Cb 0.44 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3itk h ILE 319 CO 0.07 0.14 0.23 0.44 0.00 0.00 0.00 178.15 179.03 3itk h ASP 320 N 0.76 0.75 0.38 1.72 3.32 -0.97 -0.21 116.42 122.16 3itk h ASP 320 Ca 0.25 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3itk h ASP 320 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3itk h ASP 320 CO -0.10 0.67 -0.43 0.28 -1.72 0.00 0.00 179.24 177.94 3itk h SER 321 N 0.81 0.07 -0.46 6.45 0.02 -0.54 -1.98 113.55 117.92 3itk h SER 321 Ca 0.19 -0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.89 3itk h SER 321 Cb 0.15 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.54 3itk h SER 321 CO -0.02 0.49 0.29 0.18 -1.14 0.00 0.00 176.83 176.63 3itk n LEU 322 N -4.02 4.67 -0.77 5.07 4.77 -0.82 -4.90 117.00 121.01 3itk n LEU 322 Ca -0.02 -2.44 -0.10 0.00 -0.03 0.00 0.00 56.01 53.42 3itk n LEU 322 Cb 0.46 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3itk n LEU 322 CO 0.40 0.74 -0.10 0.49 -1.33 0.00 0.00 177.39 177.59 3itk n PHE 323 N -0.24 0.00 -1.30 -1.77 0.99 -0.74 -2.88 117.46 111.51 3itk n PHE 323 Ca 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.62 3itk n PHE 323 Cb 1.04 -2.01 -0.04 0.00 -1.00 0.00 0.00 39.48 37.46 3itk n PHE 323 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3itk n ASN 324 N 0.03 -4.76 -3.82 4.37 5.15 -0.12 -4.97 115.26 111.13 3itk n ASN 324 Ca -0.10 0.25 -0.19 0.00 -0.60 0.00 0.00 54.58 53.94 3itk n ASN 324 Cb 0.37 -3.16 -0.17 0.00 -0.53 0.00 0.00 39.78 36.29 3itk n ASN 324 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3itk s THR 325 N -2.20 0.29 0.00 -0.44 -1.32 -1.14 -5.02 115.64 105.80 3itk s THR 325 Ca 0.00 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 3itk s THR 325 Cb 0.00 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 3itk s THR 325 CO 0.00 0.19 0.60 0.52 -2.21 0.00 0.00 174.62 173.72 3itk n VAL 326 N 4.37 0.31 -1.69 5.08 0.31 -1.26 -4.87 118.33 120.57 3itk n VAL 326 Ca -0.21 -0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 63.34 3itk n VAL 326 Cb 0.50 0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 34.36 3itk n VAL 326 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3itk n THR 327 N -0.15 0.21 -1.26 2.52 -1.04 -1.06 -1.45 114.28 112.05 3itk n THR 327 Ca 0.00 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 61.88 3itk n THR 327 Cb 0.36 -1.95 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 3itk n THR 327 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3itk n ASP 328 N 4.81 -5.45 -4.70 8.00 8.00 -0.11 -4.91 116.55 122.19 3itk n ASP 328 Ca 0.18 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.50 3itk n ASP 328 Cb 0.34 -3.74 -0.05 0.00 -0.02 0.00 0.00 41.12 37.65 3itk n ASP 328 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3itk s LYS 329 N -2.64 4.33 -0.11 -1.24 1.02 -0.52 -4.71 119.74 115.87 3itk s LYS 329 Ca 0.00 0.70 -0.30 0.00 0.02 0.00 0.00 55.97 56.39 3itk s LYS 329 Cb 0.00 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 3itk s LYS 329 CO 0.00 -0.04 1.31 0.21 -0.92 0.00 0.00 175.35 175.91 3itk s LYS 330 N 1.21 4.26 -0.07 1.68 2.20 -1.26 -0.32 119.74 127.44 3itk s LYS 330 Ca 0.32 1.76 0.05 0.00 -0.36 0.00 0.00 55.97 57.74 3itk s LYS 330 Cb -0.16 -3.72 -0.00 0.00 -1.51 0.00 0.00 37.83 32.43 3itk s LYS 330 CO 0.13 -0.65 -0.22 0.42 -0.36 0.00 0.00 175.35 174.67 3itk s ILE 331 N 3.16 1.86 -0.18 5.43 1.01 -0.07 -0.98 121.20 131.43 3itk s ILE 331 Ca 0.58 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 3itk s ILE 331 Cb -0.25 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3itk s ILE 331 CO 0.19 0.52 0.72 0.00 0.00 0.00 0.00 174.94 176.37 3itk s ALA 332 N 0.12 3.52 -0.37 9.38 0.00 -0.79 -0.86 121.76 132.76 3itk s ALA 332 Ca -0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 3itk s ALA 332 Cb -0.15 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3itk s ALA 332 CO 0.05 -0.56 0.23 0.42 0.00 0.00 0.00 175.76 175.90 3itk s ILE 333 N 1.93 4.89 -0.35 0.00 -1.09 0.07 -0.50 121.20 126.15 3itk s ILE 333 Ca 0.33 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 3itk s ILE 333 Cb -0.16 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 3itk s ILE 333 CO 0.12 -0.16 0.19 -0.76 -1.23 0.00 0.00 174.94 173.10 3itk s LEU 334 N 1.63 4.49 0.00 2.97 1.43 -0.45 -1.48 118.68 127.28 3itk s LEU 334 Ca 0.04 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3itk s LEU 334 Cb -0.18 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3itk s LEU 334 CO 0.08 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3itk n GLY 335 N 5.01 1.56 0.00 -3.19 0.00 -0.15 -1.06 105.19 107.36 3itk n GLY 335 Ca -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3itk n GLY 335 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3itk n PHE 336 N 2.95 0.00 -1.09 1.61 7.35 -1.26 -4.25 117.46 122.77 3itk n PHE 336 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 3itk n PHE 336 Cb 0.00 0.00 0.13 0.00 0.35 0.00 0.00 39.48 39.96 3itk n PHE 336 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3itk s ALA 337 N -1.68 1.83 -0.07 3.13 0.00 -1.26 -4.65 121.76 119.05 3itk s ALA 337 Ca 0.00 0.77 0.30 0.00 0.00 0.00 0.00 51.96 53.03 3itk s ALA 337 Cb 0.00 -3.47 1.01 0.00 0.00 0.00 0.00 23.12 20.66 3itk s ALA 337 CO 0.00 -2.30 1.86 0.27 0.00 0.00 0.00 175.76 175.59 3itk h PHE 338 N -1.01 0.00 -3.32 0.00 -5.15 -1.56 -3.44 116.94 102.46 3itk h PHE 338 Ca -0.46 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.27 3itk h PHE 338 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.41 3itk h PHE 338 CO 0.48 0.02 0.10 -1.59 -2.00 0.00 0.00 178.31 175.32 3itk s LYS 339 N -3.52 1.90 0.83 6.09 -2.85 -1.26 -4.62 119.74 116.32 3itk s LYS 339 Ca 0.03 -1.32 -0.12 0.00 -1.00 0.00 0.00 55.97 53.57 3itk s LYS 339 Cb 0.08 0.56 0.09 0.00 -2.06 0.00 0.00 37.83 36.50 3itk s LYS 339 CO 0.59 -0.85 1.13 -1.59 0.10 0.00 0.00 175.35 174.73 3itk s LYS 340 N -3.28 1.77 -1.57 1.78 -2.85 -1.26 -4.29 119.74 110.05 3itk s LYS 340 Ca 0.18 0.37 -0.04 0.00 -1.00 0.00 0.00 55.97 55.48 3itk s LYS 340 Cb -0.04 -1.91 0.01 0.00 -2.06 0.00 0.00 37.83 33.84 3itk s LYS 340 CO 0.11 -1.78 0.47 -0.25 0.10 0.00 0.00 175.35 174.00 3itk n ASP 341 N -3.49 -5.84 -3.64 0.03 8.00 -1.26 -4.97 116.55 105.38 3itk n ASP 341 Ca 0.07 -0.23 -0.12 0.00 0.71 0.00 0.00 54.79 55.23 3itk n ASP 341 Cb 0.59 -4.75 -0.05 0.00 -0.02 0.00 0.00 41.12 36.88 3itk n ASP 341 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3itk s THR 342 N -3.12 0.06 -2.52 -3.53 -1.32 -1.26 -5.02 115.64 98.93 3itk s THR 342 Ca 0.25 -0.50 0.23 0.00 -1.21 0.00 0.00 61.69 60.45 3itk s THR 342 Cb -0.11 -1.07 0.35 0.00 -1.51 0.00 0.00 72.50 70.15 3itk s THR 342 CO 0.30 -0.28 1.34 0.61 -2.21 0.00 0.00 174.62 174.38 3itk n GLY 343 N 0.08 1.49 3.70 6.08 0.00 -1.26 -4.70 105.19 110.58 3itk n GLY 343 Ca -0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3itk n GLY 343 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3itk s ASP 344 N -1.58 7.10 0.00 1.61 -1.08 -1.26 -4.74 116.67 116.72 3itk s ASP 344 Ca 0.34 1.90 0.08 0.00 -0.52 0.00 0.00 52.55 54.35 3itk s ASP 344 Cb 0.21 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 39.20 3itk s ASP 344 CO 0.30 -0.49 0.85 0.35 0.52 0.00 0.00 175.17 176.70 3itk n THR 345 N 4.20 0.26 -1.69 1.71 -2.24 -1.26 -1.56 114.28 113.69 3itk n THR 345 Ca 0.09 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 3itk n THR 345 Cb 0.47 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3itk n THR 345 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3itk s ARG 346 N -0.73 4.14 -1.29 -0.78 0.52 -1.26 -0.89 118.95 118.65 3itk s ARG 346 Ca 0.11 2.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 3itk s ARG 346 Cb 0.07 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3itk s ARG 346 CO 0.10 -0.88 0.00 0.39 0.02 0.00 0.00 175.30 174.93 3itk n GLU 347 N 6.28 -1.95 -1.80 3.54 -0.58 -1.26 0.04 120.64 124.91 3itk n GLU 347 Ca 0.18 0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 57.24 3itk n GLU 347 Cb 0.39 -5.29 -0.02 0.00 -0.57 0.00 0.00 31.44 25.96 3itk n GLU 347 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3itk s SER 348 N -2.07 6.41 0.50 1.62 0.15 -0.07 -3.97 113.70 116.27 3itk s SER 348 Ca 0.00 2.91 0.16 0.00 0.70 0.00 0.00 55.95 59.71 3itk s SER 348 Cb 0.00 -2.63 1.21 0.00 -1.71 0.00 0.00 66.02 62.89 3itk s SER 348 CO 0.00 -0.90 2.12 0.28 1.20 0.00 0.00 173.24 175.94 3itk h SER 349 N 5.10 0.01 -0.44 5.45 0.02 -1.84 -1.14 113.55 120.70 3itk h SER 349 Ca -0.46 -0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.59 3itk h SER 349 Cb 1.22 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3itk h SER 349 CO 0.81 0.04 0.31 0.28 -1.14 0.00 0.00 176.83 177.13 3itk h SER 350 N 0.01 0.11 -0.42 3.07 0.02 -1.82 -0.90 113.55 113.62 3itk h SER 350 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3itk h SER 350 Cb 0.06 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3itk h SER 350 CO 0.00 0.07 0.12 0.40 -1.14 0.00 0.00 176.83 176.29 3itk h ILE 351 N 0.13 1.22 -0.04 3.27 2.04 -1.49 -2.03 117.51 120.60 3itk h ILE 351 Ca 0.21 -0.74 -0.22 0.00 1.00 0.00 0.00 64.86 65.11 3itk h ILE 351 Cb 0.66 0.91 0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3itk h ILE 351 CO -0.03 0.26 -0.82 1.88 0.00 0.00 0.00 178.15 179.45 3itk h TYR 352 N 0.54 0.91 -0.55 1.37 -1.99 -1.39 -0.30 116.97 115.56 3itk h TYR 352 Ca 0.13 -0.46 -0.04 0.00 2.00 0.00 0.00 58.73 60.36 3itk h TYR 352 Cb 0.28 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 3itk h TYR 352 CO 0.01 1.29 0.18 0.82 -0.00 0.00 0.00 178.16 180.46 3itk h ILE 353 N 0.27 1.21 -0.12 -2.88 1.08 -1.24 -1.75 117.51 114.08 3itk h ILE 353 Ca -0.09 -0.70 -0.10 0.00 -0.39 0.00 0.00 64.86 63.57 3itk h ILE 353 Cb 1.48 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 3itk h ILE 353 CO 0.16 0.27 -0.33 0.28 -0.69 0.00 0.00 178.15 177.84 3itk h SER 354 N 0.79 0.50 -0.75 1.72 0.02 -1.28 -2.23 113.55 112.31 3itk h SER 354 Ca 0.18 -0.59 0.05 0.00 -0.84 0.00 0.00 61.79 60.59 3itk h SER 354 Cb 0.21 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3itk h SER 354 CO -0.01 1.00 0.49 0.11 -1.14 0.00 0.00 176.83 177.28 3itk h LYS 355 N 0.02 0.84 -0.63 3.45 1.57 -0.87 -0.62 116.57 120.33 3itk h LYS 355 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3itk h LYS 355 Cb 0.95 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3itk h LYS 355 CO 0.07 0.56 0.16 1.88 -0.57 0.00 0.00 179.45 181.55 3itk h TYR 356 N 0.86 1.04 -0.00 -1.35 -1.99 -1.08 -2.00 116.97 112.46 3itk h TYR 356 Ca 0.31 -0.12 -0.17 0.00 2.00 0.00 0.00 58.73 60.75 3itk h TYR 356 Cb 0.14 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 3itk h TYR 356 CO -0.00 0.87 -0.78 -0.07 -0.00 0.00 0.00 178.16 178.18 3itk h LEU 357 N 0.92 0.09 -0.70 3.88 3.38 -0.86 -3.02 115.31 118.99 3itk h LEU 357 Ca 0.20 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3itk h LEU 357 Cb 0.34 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3itk h LEU 357 CO 0.00 0.83 0.21 0.24 0.09 0.00 0.00 178.44 179.80 3itk h MET 358 N 0.04 1.10 0.00 1.13 2.86 -1.03 -2.18 114.93 116.86 3itk h MET 358 Ca -0.02 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3itk h MET 358 Cb 1.37 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3itk h MET 358 CO 0.11 0.96 0.00 -3.47 1.06 0.00 0.00 176.91 175.56 3itk n ASP 359 N -4.28 0.26 -0.38 1.22 2.03 -0.76 -0.96 116.55 113.68 3itk n ASP 359 Ca 0.05 0.62 0.08 0.00 0.52 0.00 0.00 54.79 56.06 3itk n ASP 359 Cb 0.23 -0.65 -0.00 0.00 -0.72 0.00 0.00 41.12 39.98 3itk n ASP 359 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3itk n GLU 360 N -1.85 1.63 -0.68 -0.67 -0.58 -0.87 -5.00 120.64 112.63 3itk n GLU 360 Ca -0.00 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.91 3itk n GLU 360 Cb 0.03 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3itk n GLU 360 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3itk n GLY 361 N 1.18 0.61 3.72 0.62 0.00 -0.14 -2.56 105.19 108.62 3itk n GLY 361 Ca 0.07 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 3itk n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk n ALA 362 N 0.03 1.12 -3.35 4.61 0.00 -0.88 -0.93 120.51 121.10 3itk n ALA 362 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3itk n ALA 362 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 3itk n ALA 362 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3itk s HIS 363 N -1.39 3.32 -0.06 0.00 3.76 0.56 -4.77 115.29 116.72 3itk s HIS 363 Ca 0.82 -1.44 -0.22 0.00 -0.15 0.00 0.00 55.06 54.07 3itk s HIS 363 Cb -0.38 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.51 3itk s HIS 363 CO 0.41 -1.01 0.65 -0.51 -0.85 0.00 0.00 174.74 173.42 3itk s LEU 364 N 1.43 4.34 -0.26 0.89 1.43 -0.01 -0.89 118.68 125.60 3itk s LEU 364 Ca 0.05 1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 54.27 3itk s LEU 364 Cb -0.28 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 42.98 3itk s LEU 364 CO 0.01 -0.05 -0.04 -1.00 0.23 0.00 0.00 176.35 175.50 3itk s HIS 365 N 0.53 3.12 -0.16 0.29 3.76 -0.04 -0.68 115.29 122.11 3itk s HIS 365 Ca 0.34 -1.62 -0.02 0.00 -0.15 0.00 0.00 55.06 53.61 3itk s HIS 365 Cb -0.18 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 3itk s HIS 365 CO 0.17 -0.74 -0.09 0.42 -0.85 0.00 0.00 174.74 173.64 3itk s ILE 366 N 1.31 3.25 -0.08 0.60 1.01 -0.54 -0.75 121.20 126.01 3itk s ILE 366 Ca -0.01 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3itk s ILE 366 Cb -0.17 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.89 3itk s ILE 366 CO -0.03 0.49 -0.16 -0.47 0.00 0.00 0.00 174.94 174.76 3itk s TYR 367 N 0.72 1.84 -0.05 3.97 5.04 -0.55 -0.81 117.35 127.51 3itk s TYR 367 Ca -0.04 -0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 53.85 3itk s TYR 367 Cb -0.15 -1.29 0.03 0.00 0.35 0.00 0.00 41.96 40.90 3itk s TYR 367 CO 0.02 -0.33 0.10 0.34 -1.34 0.00 0.00 175.55 174.34 3itk s ASP 368 N 0.57 -0.06 0.46 4.32 -1.08 -1.26 -0.97 116.67 118.64 3itk s ASP 368 Ca -0.16 0.21 0.31 0.00 -0.52 0.00 0.00 52.55 52.39 3itk s ASP 368 Cb -0.17 0.12 1.31 0.00 -1.46 0.00 0.00 42.92 42.73 3itk s ASP 368 CO 0.05 -0.11 1.92 1.55 0.52 0.00 0.00 175.17 179.10 3itk h PRO 369 N 6.94 0.00 0.00 4.34 0.13 -1.97 -3.34 132.00 138.10 3itk h PRO 369 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 3itk h PRO 369 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3itk h PRO 369 CO 0.44 0.00 -1.11 1.17 -0.23 0.00 0.00 178.00 178.27 3itk n LYS 370 N -2.81 3.20 -2.32 0.86 3.00 -1.26 -5.03 118.16 113.79 3itk n LYS 370 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.90 3itk n LYS 370 Cb 0.26 -1.04 -0.03 0.00 0.00 0.00 0.00 35.03 34.22 3itk n LYS 370 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3itk s VAL 371 N -2.04 3.96 0.44 3.15 1.01 -1.26 -4.82 120.40 120.85 3itk s VAL 371 Ca -0.01 1.30 -0.25 0.00 0.00 0.00 0.00 61.98 63.02 3itk s VAL 371 Cb 0.01 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 3itk s VAL 371 CO 0.06 -0.02 1.40 -2.84 0.00 0.00 0.00 175.10 173.71 3itk s PRO 372 N 2.50 3.74 0.35 2.72 0.02 -1.26 -4.86 135.00 138.21 3itk s PRO 372 Ca 0.60 2.37 0.03 0.00 0.02 0.00 0.00 61.00 64.02 3itk s PRO 372 Cb -0.28 -2.68 0.64 0.00 0.02 0.00 0.00 34.50 32.21 3itk s PRO 372 CO 0.24 -0.76 1.99 0.07 -0.33 0.00 0.00 177.00 178.21 3itk h ARG 373 N 2.39 0.84 -0.86 5.54 0.11 -1.97 -2.44 114.38 117.98 3itk h ARG 373 Ca -0.51 -0.05 0.03 0.00 0.10 0.00 0.00 59.98 59.55 3itk h ARG 373 Cb 1.26 -0.19 -0.05 0.00 1.11 0.00 0.00 29.97 32.11 3itk h ARG 373 CO 0.61 0.55 0.57 0.93 0.10 0.00 0.00 179.97 182.74 3itk h GLU 374 N 0.86 1.08 -0.32 0.08 3.07 -2.00 -1.95 114.58 115.41 3itk h GLU 374 Ca 0.27 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.93 3itk h GLU 374 Cb 0.02 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 3itk h GLU 374 CO -0.07 0.71 -0.36 0.37 -1.40 0.00 0.00 179.01 178.26 3itk h GLN 375 N 1.11 0.72 -0.20 2.33 5.75 -1.82 -1.69 115.11 121.31 3itk h GLN 375 Ca 0.33 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3itk h GLN 375 Cb -0.03 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3itk h GLN 375 CO -0.09 0.97 0.08 0.82 -2.65 0.00 0.00 178.83 177.96 3itk h ILE 376 N 0.60 1.15 -0.62 2.39 2.04 -1.33 0.39 117.51 122.14 3itk h ILE 376 Ca 0.06 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.52 3itk h ILE 376 Cb 0.89 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3itk h ILE 376 CO 0.08 0.15 0.33 0.58 0.00 0.00 0.00 178.15 179.28 3itk h VAL 377 N 0.17 0.93 -0.08 1.67 2.07 -1.31 -1.95 116.25 117.74 3itk h VAL 377 Ca 0.07 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3itk h VAL 377 Cb 0.16 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3itk h VAL 377 CO -0.01 0.11 0.03 0.58 0.02 0.00 0.00 177.57 178.30 3itk h VAL 378 N 0.60 0.98 -0.56 2.57 2.07 -0.90 -2.09 116.25 118.92 3itk h VAL 378 Ca 0.29 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 3itk h VAL 378 Cb 0.21 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3itk h VAL 378 CO -0.20 0.01 0.22 0.44 0.02 0.00 0.00 177.57 178.07 3itk h ASP 379 N 0.07 0.73 0.84 0.57 3.32 -0.55 -2.50 116.42 118.91 3itk h ASP 379 Ca 0.03 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3itk h ASP 379 Cb 0.02 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3itk h ASP 379 CO -0.04 0.66 -0.24 0.18 -1.72 0.00 0.00 179.24 178.08 3itk n LEU 380 N -4.33 0.32 -4.87 1.55 4.77 -0.77 -4.91 117.00 108.75 3itk n LEU 380 Ca 0.05 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 56.02 3itk n LEU 380 Cb 0.16 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3itk n LEU 380 CO 0.38 0.03 0.49 -0.44 -1.33 0.00 0.00 177.39 176.52 3itk s SER 381 N -3.24 6.49 0.41 -1.43 0.01 -0.79 -4.86 113.70 110.29 3itk s SER 381 Ca 0.12 1.18 -0.25 0.00 1.31 0.00 0.00 55.95 58.31 3itk s SER 381 Cb 0.17 -2.35 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 3itk s SER 381 CO 0.62 -0.47 1.17 -1.00 0.41 0.00 0.00 173.24 173.97 3itk s HIS 382 N -2.49 3.03 0.09 2.43 3.76 -1.26 -4.92 115.29 115.93 3itk s HIS 382 Ca 0.52 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.67 3itk s HIS 382 Cb -0.10 -3.40 -0.10 0.00 1.11 0.00 0.00 32.58 30.10 3itk s HIS 382 CO 0.34 -1.36 1.84 -1.25 -0.85 0.00 0.00 174.74 173.45 3itk s PRO 383 N -2.37 4.15 -0.49 8.40 0.04 -1.26 -1.27 135.00 142.20 3itk s PRO 383 Ca 0.58 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.17 3itk s PRO 383 Cb -0.30 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.49 3itk s PRO 383 CO 0.38 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3itk n GLY 384 N 4.28 0.70 3.12 0.56 0.00 -1.26 -5.02 105.19 107.57 3itk n GLY 384 Ca 0.18 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3itk n GLY 384 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3itk s VAL 385 N -2.18 3.12 0.11 1.61 -7.23 -0.39 -4.97 120.40 110.47 3itk s VAL 385 Ca 0.00 -1.93 0.10 0.00 -1.81 0.00 0.00 61.98 58.34 3itk s VAL 385 Cb 0.00 -3.08 -0.09 0.00 0.56 0.00 0.00 36.38 33.77 3itk s VAL 385 CO 0.00 -0.55 1.42 0.77 -0.31 0.00 0.00 175.10 176.43 3itk h SER 386 N 7.99 0.00 -2.25 4.85 4.64 -1.95 -3.36 113.55 123.46 3itk h SER 386 Ca -0.14 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.58 3itk h SER 386 Cb 1.05 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.72 3itk h SER 386 CO 0.64 0.77 -0.58 1.21 -0.87 0.00 0.00 176.83 178.00 3itk n GLU 387 N -3.44 2.96 -2.33 4.77 0.00 -1.26 -5.07 120.64 116.27 3itk n GLU 387 Ca 0.00 -4.78 -0.43 0.00 0.00 0.00 0.00 57.16 51.96 3itk n GLU 387 Cb 0.79 -2.26 -0.02 0.00 0.00 0.00 0.00 31.44 29.96 3itk n GLU 387 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3itk s ASP 388 N -2.97 6.59 0.24 4.31 3.68 -1.26 -4.91 116.67 122.36 3itk s ASP 388 Ca 0.44 1.34 0.03 0.00 2.13 0.00 0.00 52.55 56.50 3itk s ASP 388 Cb 0.22 -2.54 0.27 0.00 -1.45 0.00 0.00 42.92 39.42 3itk s ASP 388 CO -0.08 -1.13 1.59 0.44 0.13 0.00 0.00 175.17 176.13 3itk h ASP 389 N 9.69 0.36 -0.82 -0.34 3.32 -1.97 -2.63 116.42 124.03 3itk h ASP 389 Ca -0.28 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.61 3itk h ASP 389 Cb 1.11 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 3itk h ASP 389 CO 1.02 0.82 0.53 -0.61 -1.72 0.00 0.00 179.24 179.28 3itk h GLN 390 N 0.26 1.00 0.03 3.56 4.15 -1.97 0.14 115.11 122.28 3itk h GLN 390 Ca 0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3itk h GLN 390 Cb 1.01 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3itk h GLN 390 CO 0.09 0.66 -0.02 0.28 -1.93 0.00 0.00 178.83 177.91 3itk h VAL 391 N 1.03 1.32 -0.19 2.39 2.07 -1.85 -2.09 116.25 118.92 3itk h VAL 391 Ca 0.32 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3itk h VAL 391 Cb -0.01 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3itk h VAL 391 CO -0.11 0.29 -0.14 0.77 0.02 0.00 0.00 177.57 178.40 3itk h SER 392 N -0.55 0.30 0.90 0.57 4.64 -1.37 0.33 113.55 118.38 3itk h SER 392 Ca -0.00 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 3itk h SER 392 Cb 0.51 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3itk h SER 392 CO 0.01 0.48 -0.39 -0.09 -0.87 0.00 0.00 176.83 175.97 3itk h ARG 393 N 0.30 0.00 0.00 4.77 2.43 -0.74 -3.38 114.38 117.76 3itk h ARG 393 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3itk h ARG 393 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3itk h ARG 393 CO 0.03 0.39 -0.52 1.28 -1.51 0.00 0.00 179.97 179.63 3itk n LEU 394 N -3.50 0.00 -4.30 3.80 4.77 -0.79 -5.02 117.00 111.95 3itk n LEU 394 Ca -0.00 -0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 3itk n LEU 394 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 3itk n LEU 394 CO 0.37 0.00 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.25 3itk s VAL 395 N -1.38 2.68 -0.03 4.08 1.01 0.11 -0.83 120.40 126.04 3itk s VAL 395 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3itk s VAL 395 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3itk s VAL 395 CO 0.00 0.53 -0.24 -0.89 0.00 0.00 0.00 175.10 174.50 3itk s THR 396 N 0.44 2.19 -0.24 3.92 2.01 0.15 -4.70 115.64 119.40 3itk s THR 396 Ca -0.12 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.76 3itk s THR 396 Cb -0.16 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 3itk s THR 396 CO 0.05 0.58 0.04 -0.63 -0.69 0.00 0.00 174.62 173.97 3itk s ILE 397 N -0.56 4.02 -0.16 1.82 1.01 -1.26 -1.47 121.20 124.60 3itk s ILE 397 Ca 0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3itk s ILE 397 Cb -0.11 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3itk s ILE 397 CO -0.00 0.35 0.19 -0.44 0.00 0.00 0.00 174.94 175.04 3itk s SER 398 N 1.57 6.34 0.47 3.58 0.01 0.01 -4.92 113.70 120.75 3itk s SER 398 Ca 0.06 0.40 0.26 0.00 1.31 0.00 0.00 55.95 57.98 3itk s SER 398 Cb -0.15 -2.12 0.70 0.00 0.21 0.00 0.00 66.02 64.66 3itk s SER 398 CO 0.02 0.21 1.74 0.07 0.41 0.00 0.00 173.24 175.69 3itk h LYS 399 N 6.21 0.00 -3.74 12.44 -0.00 -1.98 -3.42 116.57 126.08 3itk h LYS 399 Ca -0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.09 3itk h LYS 399 Cb 1.17 0.00 -0.17 0.00 -0.00 0.00 0.00 32.23 33.24 3itk h LYS 399 CO 0.71 0.04 -0.46 0.16 -0.00 0.00 0.00 179.45 179.91 3itk s ASP 400 N -6.05 0.13 0.35 7.07 1.47 -1.26 -5.05 116.67 113.32 3itk s ASP 400 Ca 0.05 -0.52 0.05 0.00 1.18 0.00 0.00 52.55 53.30 3itk s ASP 400 Cb 0.07 0.27 0.64 0.00 -0.34 0.00 0.00 42.92 43.55 3itk s ASP 400 CO 0.63 -0.57 1.89 1.55 0.68 0.00 0.00 175.17 179.35 3itk h PRO 401 N 3.40 0.51 -0.26 2.11 0.13 -1.97 -2.95 132.00 132.96 3itk h PRO 401 Ca -0.33 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 3itk h PRO 401 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3itk h PRO 401 CO 0.52 0.52 -0.20 1.88 -0.23 0.00 0.00 178.00 180.49 3itk h TYR 402 N 0.49 0.52 0.21 1.56 0.05 -1.98 -1.51 116.97 116.31 3itk h TYR 402 Ca 0.11 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3itk h TYR 402 Cb 0.30 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3itk h TYR 402 CO 0.01 0.65 -0.12 1.49 -1.05 0.00 0.00 178.16 179.14 3itk h GLU 403 N 0.43 -0.30 -0.77 4.88 4.22 -1.93 -2.22 114.58 118.89 3itk h GLU 403 Ca 0.07 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.70 3itk h GLU 403 Cb 0.60 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 3itk h GLU 403 CO 0.04 -0.20 0.52 0.00 -2.18 0.00 0.00 179.01 177.19 3itk h ALA 404 N 0.48 2.22 -0.00 2.92 0.00 -1.40 -1.64 119.26 121.84 3itk h ALA 404 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3itk h ALA 404 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3itk h ALA 404 CO 0.03 -0.44 -0.47 0.00 0.00 0.00 0.00 179.25 178.37 3itk s ASP 406 N -2.97 5.75 -0.16 0.00 -1.08 -0.62 -1.67 116.67 115.91 3itk s ASP 406 Ca 0.12 0.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 3itk s ASP 406 Cb 0.18 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 3itk s ASP 406 CO 0.69 -1.89 0.00 0.61 0.52 0.00 0.00 175.17 175.09 3itk n GLY 407 N 5.46 0.52 3.83 2.66 0.00 0.18 -5.00 105.19 112.85 3itk n GLY 407 Ca 0.21 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3itk n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itk s ALA 408 N -2.02 3.01 0.03 4.61 0.00 -0.67 -4.43 121.76 122.29 3itk s ALA 408 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 3itk s ALA 408 Cb 0.00 -3.15 -0.28 0.00 0.00 0.00 0.00 23.12 19.69 3itk s ALA 408 CO 0.00 -0.21 0.97 0.45 0.00 0.00 0.00 175.76 176.97 3itk h HIS 409 N 1.16 0.48 -3.60 0.00 3.86 -1.33 -1.20 115.15 114.51 3itk h HIS 409 Ca -0.48 -0.35 -0.17 0.00 -1.16 0.00 0.00 60.37 58.22 3itk h HIS 409 Cb 1.19 -0.02 -0.22 0.00 1.06 0.00 0.00 27.41 29.42 3itk h HIS 409 CO 0.62 1.34 -0.56 0.00 0.86 0.00 0.00 177.93 180.19 3itk s ALA 410 N -2.63 -0.21 -0.20 2.45 0.00 -1.26 -2.12 121.76 117.79 3itk s ALA 410 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3itk s ALA 410 Cb 0.07 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3itk s ALA 410 CO 0.87 -0.15 -0.16 0.08 0.00 0.00 0.00 175.76 176.39 3itk s VAL 411 N -0.99 2.00 -0.30 0.00 1.01 -0.50 -1.88 120.40 119.74 3itk s VAL 411 Ca -0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 3itk s VAL 411 Cb -0.06 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.46 3itk s VAL 411 CO 0.01 0.35 -0.01 -0.69 0.00 0.00 0.00 175.10 174.76 3itk s VAL 412 N 1.27 2.87 -0.42 2.92 1.01 0.34 -0.45 120.40 127.95 3itk s VAL 412 Ca 0.01 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 60.30 3itk s VAL 412 Cb -0.15 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3itk s VAL 412 CO -0.10 -0.11 0.82 -0.63 0.00 0.00 0.00 175.10 175.07 3itk s ILE 413 N 1.22 4.64 -0.40 2.22 1.01 0.20 -1.34 121.20 128.76 3itk s ILE 413 Ca -0.05 0.69 0.14 0.00 0.00 0.00 0.00 60.65 61.42 3itk s ILE 413 Cb -0.20 -4.30 -0.17 0.00 0.01 0.00 0.00 42.46 37.80 3itk s ILE 413 CO -0.02 -0.63 0.47 0.00 0.00 0.00 0.00 174.94 174.76 3itk s THR 415 N -2.53 0.17 -0.16 0.00 2.01 -1.18 -4.59 115.64 109.35 3itk s THR 415 Ca 0.01 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 3itk s THR 415 Cb 0.10 -0.19 0.11 0.00 0.01 0.00 0.00 72.50 72.53 3itk s THR 415 CO 0.56 0.08 1.96 -1.84 -0.69 0.00 0.00 174.62 174.70 3itk n GLU 416 N 3.44 1.41 -1.67 4.92 0.00 -1.26 -4.63 120.64 122.85 3itk n GLU 416 Ca -0.18 -0.81 -0.46 0.00 0.00 0.00 0.00 57.16 55.72 3itk n GLU 416 Cb 0.56 -1.32 -0.04 0.00 0.00 0.00 0.00 31.44 30.65 3itk n GLU 416 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3itk n TRP 417 N 0.86 2.22 -0.07 -1.84 7.02 -1.26 -4.78 117.44 119.58 3itk n TRP 417 Ca 0.15 0.35 0.14 0.00 -1.02 0.00 0.00 57.50 57.12 3itk n TRP 417 Cb 0.55 -2.50 0.54 0.00 -2.42 0.00 0.00 31.31 27.48 3itk n TRP 417 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3itk h ASP 418 N 5.14 0.29 0.42 -0.99 3.32 -2.01 -2.51 116.42 120.09 3itk h ASP 418 Ca -0.45 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3itk h ASP 418 Cb 1.26 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3itk h ASP 418 CO 0.83 0.17 -0.06 0.00 -1.72 0.00 0.00 179.24 178.46 3itk h MET 419 N 0.32 0.00 0.00 3.56 -0.00 -1.99 -3.11 114.93 113.71 3itk h MET 419 Ca 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.89 3itk h MET 419 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.25 3itk h MET 419 CO -0.07 0.06 -0.44 0.74 -0.00 0.00 0.00 176.91 177.20 3itk h PHE 420 N 0.00 0.00 0.00 -0.10 0.04 -1.83 -1.01 116.94 114.05 3itk h PHE 420 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3itk h PHE 420 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 3itk h PHE 420 CO 0.00 0.44 0.00 0.36 -0.60 0.00 0.00 178.31 178.51 3itk n LYS 421 N -3.89 0.07 0.00 1.51 2.85 -1.17 -3.43 118.16 114.09 3itk n LYS 421 Ca -0.01 0.19 0.11 0.00 -1.05 0.00 0.00 58.31 57.55 3itk n LYS 421 Cb 0.48 -1.60 0.08 0.00 -0.65 0.00 0.00 35.03 33.35 3itk n LYS 421 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3itk n GLU 422 N -1.72 0.80 -0.69 -1.58 -0.58 -0.39 -5.01 120.64 111.48 3itk n GLU 422 Ca 0.05 -0.62 -0.30 0.00 -0.42 0.00 0.00 57.16 55.86 3itk n GLU 422 Cb 0.27 -1.49 0.18 0.00 -0.57 0.00 0.00 31.44 29.83 3itk n GLU 422 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3itk s LEU 423 N -2.62 2.48 -1.06 -4.62 1.43 -1.20 -4.91 118.68 108.19 3itk s LEU 423 Ca 0.17 2.05 -0.19 0.00 -1.03 0.00 0.00 54.13 55.14 3itk s LEU 423 Cb 0.18 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 42.16 3itk s LEU 423 CO 0.63 -3.27 1.35 -0.62 0.23 0.00 0.00 176.35 174.67 3itk s ASP 424 N -2.68 6.73 0.43 2.29 -1.08 -1.26 -4.84 116.67 116.25 3itk s ASP 424 Ca 0.67 -2.17 0.23 0.00 -0.52 0.00 0.00 52.55 50.76 3itk s ASP 424 Cb -0.23 -2.46 0.81 0.00 -1.46 0.00 0.00 42.92 39.58 3itk s ASP 424 CO 0.59 -1.11 1.78 1.88 0.52 0.00 0.00 175.17 178.83 3itk h TYR 425 N 8.52 0.00 0.00 -5.34 -1.99 -1.98 -1.20 116.97 114.98 3itk h TYR 425 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 3itk h TYR 425 Cb 0.97 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.70 3itk h TYR 425 CO 1.21 0.23 -0.01 1.49 -0.00 0.00 0.00 178.16 181.09 3itk h GLU 426 N 0.00 -0.01 -0.27 4.88 4.57 -1.99 -0.34 114.58 121.43 3itk h GLU 426 Ca -0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3itk h GLU 426 Cb 0.82 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 3itk h GLU 426 CO 0.03 -0.01 0.11 -0.09 -1.18 0.00 0.00 179.01 177.87 3itk h ARG 427 N -0.01 0.23 -0.74 1.92 2.43 -1.90 -2.61 114.38 113.70 3itk h ARG 427 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3itk h ARG 427 Cb 0.01 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 3itk h ARG 427 CO -0.01 0.15 0.45 0.82 -1.51 0.00 0.00 179.97 179.87 3itk h ILE 428 N 0.24 1.04 -0.03 1.20 2.04 -1.07 -2.91 117.51 118.02 3itk h ILE 428 Ca 0.12 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3itk h ILE 428 Cb 0.07 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3itk h ILE 428 CO -0.11 0.15 -0.00 -0.74 0.00 0.00 0.00 178.15 177.46 3itk h HIS 429 N 0.84 -0.00 -1.03 1.37 2.76 -0.77 -2.69 115.15 115.64 3itk h HIS 429 Ca 0.31 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.77 3itk h HIS 429 Cb 0.11 0.01 -0.13 0.00 1.55 0.00 0.00 27.41 28.95 3itk h HIS 429 CO -0.05 -0.01 0.62 0.87 -1.30 0.00 0.00 177.93 178.06 3itk h LYS 430 N 0.01 0.44 -0.59 5.26 1.57 -1.26 -2.19 116.57 119.80 3itk h LYS 430 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3itk h LYS 430 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3itk h LYS 430 CO -0.02 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 180.78 3itk n LYS 431 N -4.87 2.64 -3.30 3.15 5.02 -1.03 -4.94 118.16 114.83 3itk n LYS 431 Ca 0.29 -2.50 -0.28 0.00 -2.02 0.00 0.00 58.31 53.80 3itk n LYS 431 Cb 0.87 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 3itk n LYS 431 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3itk s MET 432 N -1.17 3.60 0.39 1.97 -1.94 -0.83 0.50 119.30 121.83 3itk s MET 432 Ca 0.44 -0.03 -0.24 0.00 -1.71 0.00 0.00 55.69 54.15 3itk s MET 432 Cb 0.24 -2.63 -0.09 0.00 2.01 0.00 0.00 34.83 34.35 3itk s MET 432 CO 0.32 0.18 1.01 -0.51 -0.01 0.00 0.00 175.02 176.01 3itk s LEU 433 N -3.74 4.15 -0.07 -0.03 1.43 -0.45 -4.90 118.68 115.06 3itk s LEU 433 Ca 0.44 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 3itk s LEU 433 Cb -0.10 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 3itk s LEU 433 CO 0.32 -0.38 -0.10 -0.54 0.23 0.00 0.00 176.35 175.87 3itk s LYS 434 N -2.50 2.80 0.20 1.70 -0.14 -1.26 -3.17 119.74 117.36 3itk s LYS 434 Ca 0.57 -0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 54.26 3itk s LYS 434 Cb -0.19 -2.54 -0.09 0.00 -1.68 0.00 0.00 37.83 33.33 3itk s LYS 434 CO 0.24 0.57 1.30 -1.25 -0.76 0.00 0.00 175.35 175.45 3itk s PRO 435 N -0.56 4.40 -0.29 -1.68 0.04 -1.26 -5.15 135.00 130.49 3itk s PRO 435 Ca 0.08 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 3itk s PRO 435 Cb -0.12 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3itk s PRO 435 CO 0.02 -0.24 0.32 0.00 0.04 0.00 0.00 177.00 177.14 3itk s ALA 436 N 0.07 3.54 0.00 8.56 0.00 -1.19 -4.89 121.76 127.85 3itk s ALA 436 Ca 0.56 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 3itk s ALA 436 Cb -0.36 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3itk s ALA 436 CO 0.38 -0.74 0.14 -0.06 0.00 0.00 0.00 175.76 175.48 3itk s PHE 437 N 1.98 3.43 -0.14 0.00 0.40 -0.90 -1.58 117.98 121.16 3itk s PHE 437 Ca 0.12 0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.75 3itk s PHE 437 Cb -0.16 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.59 3itk s PHE 437 CO 0.11 0.60 -0.19 0.42 0.70 0.00 0.00 175.22 176.86 3itk s ILE 438 N -1.29 2.34 -0.41 0.64 1.01 -0.30 -1.41 121.20 121.79 3itk s ILE 438 Ca 0.26 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 3itk s ILE 438 Cb -0.12 -1.96 0.10 0.00 0.01 0.00 0.00 42.46 40.49 3itk s ILE 438 CO 0.17 0.54 0.22 -0.36 0.00 0.00 0.00 174.94 175.51 3itk s PHE 439 N 0.76 3.47 -0.63 3.97 0.08 0.41 -0.75 117.98 125.28 3itk s PHE 439 Ca -0.08 -2.07 -0.19 0.00 0.12 0.00 0.00 56.93 54.71 3itk s PHE 439 Cb -0.16 -3.10 0.11 0.00 -0.57 0.00 0.00 43.02 39.30 3itk s PHE 439 CO 0.00 -0.93 0.75 0.34 -0.10 0.00 0.00 175.22 175.28 3itk s ASP 440 N 1.98 6.24 0.00 1.36 2.15 0.08 -0.63 116.67 127.85 3itk s ASP 440 Ca 0.05 -1.52 0.06 0.00 0.43 0.00 0.00 52.55 51.58 3itk s ASP 440 Cb -0.23 -2.31 0.23 0.00 -0.30 0.00 0.00 42.92 40.31 3itk s ASP 440 CO -0.02 -1.11 1.17 0.61 -0.17 0.00 0.00 175.17 175.66 3itk n GLY 441 N 5.23 -0.34 0.00 2.66 0.00 -0.04 -3.43 105.19 109.26 3itk n GLY 441 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3itk n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3itk n ARG 442 N -0.11 0.66 -3.42 1.61 5.12 -1.25 -0.96 116.66 118.31 3itk n ARG 442 Ca 0.06 -0.67 -0.25 0.00 -1.93 0.00 0.00 57.85 55.07 3itk n ARG 442 Cb 0.13 -0.66 0.03 0.00 -1.16 0.00 0.00 32.46 30.79 3itk n ARG 442 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3itk n ARG 443 N -0.12 -5.06 0.00 5.56 5.12 -1.25 -4.87 116.66 116.04 3itk n ARG 443 Ca 0.00 0.70 0.11 0.00 -1.93 0.00 0.00 57.85 56.74 3itk n ARG 443 Cb 0.36 -5.56 0.13 0.00 -1.16 0.00 0.00 32.46 26.23 3itk n ARG 443 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3itk n VAL 444 N -4.47 0.00 -0.69 1.55 3.14 -1.26 -4.19 118.33 112.40 3itk n VAL 444 Ca -0.03 -0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.41 3itk n VAL 444 Cb 0.57 0.54 0.25 0.00 -1.06 0.00 0.00 33.84 34.13 3itk n VAL 444 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3itk n LEU 445 N -1.39 3.79 -0.28 6.55 4.77 -1.26 -4.66 117.00 124.52 3itk n LEU 445 Ca 0.06 -2.63 0.09 0.00 -0.03 0.00 0.00 56.01 53.50 3itk n LEU 445 Cb 0.34 -0.46 0.33 0.00 -2.33 0.00 0.00 43.42 41.30 3itk n LEU 445 CO 0.37 0.71 1.23 0.44 -1.33 0.00 0.00 177.39 178.80 3itk h ASP 446 N 2.25 0.73 0.17 -1.43 3.32 -1.99 0.22 116.42 119.69 3itk h ASP 446 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3itk h ASP 446 Cb 1.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3itk h ASP 446 CO 0.17 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 3itk n GLY 447 N -1.42 -0.93 0.64 2.75 0.00 -1.26 -3.07 105.19 101.90 3itk n GLY 447 Ca 0.16 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3itk n GLY 447 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3itk n LEU 448 N -1.10 2.30 -0.11 0.99 4.77 0.77 -4.84 117.00 119.77 3itk n LEU 448 Ca 0.17 -0.94 -0.09 0.00 -0.03 0.00 0.00 56.01 55.12 3itk n LEU 448 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3itk n LEU 448 CO 0.17 0.41 0.60 0.45 -1.33 0.00 0.00 177.39 177.68 3itk h HIS 449 N 3.13 -1.11 -0.64 -1.77 -0.00 -1.54 -1.37 115.15 111.85 3itk h HIS 449 Ca 0.00 0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.36 3itk h HIS 449 Cb 0.71 0.54 -0.03 0.00 -0.00 0.00 0.00 27.41 28.64 3itk h HIS 449 CO 0.00 -0.42 0.13 -0.91 -0.00 0.00 0.00 177.93 176.73 3itk h ASN 450 N -0.32 0.97 -0.41 2.45 2.35 -1.88 -2.16 115.58 116.58 3itk h ASN 450 Ca 0.14 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 3itk h ASN 450 Cb 0.57 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3itk h ASN 450 CO -0.54 0.95 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.87 3itk h GLU 451 N 0.97 0.92 -0.62 0.81 4.81 -1.79 -1.22 114.58 118.47 3itk h GLU 451 Ca 0.20 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3itk h GLU 451 Cb 0.38 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3itk h GLU 451 CO 0.01 1.06 0.09 -0.07 -0.73 0.00 0.00 179.01 179.37 3itk h LEU 452 N 0.79 0.97 -0.12 1.64 3.38 -1.12 0.41 115.31 121.27 3itk h LEU 452 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3itk h LEU 452 Cb 0.80 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3itk h LEU 452 CO 0.07 0.97 0.03 1.56 0.09 0.00 0.00 178.44 181.16 3itk h GLN 453 N 0.95 0.19 -0.48 1.13 4.20 -1.30 0.41 115.11 120.22 3itk h GLN 453 Ca 0.19 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.94 3itk h GLN 453 Cb 0.42 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 3itk h GLN 453 CO 0.01 0.36 0.08 1.15 -0.67 0.00 0.00 178.83 179.76 3itk h THR 454 N -0.01 0.71 -0.69 -0.54 2.02 -1.05 0.16 112.91 113.51 3itk h THR 454 Ca 0.04 -0.07 0.11 0.00 0.77 0.00 0.00 66.41 67.26 3itk h THR 454 Cb 0.26 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 3itk h THR 454 CO 0.00 0.04 0.46 0.40 0.37 0.00 0.00 175.52 176.79 3itk h ILE 455 N 0.21 0.88 0.00 3.11 2.04 -0.89 -3.46 117.51 119.40 3itk h ILE 455 Ca 0.24 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3itk h ILE 455 Cb 0.32 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3itk h ILE 455 CO -0.33 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.52 3itk n GLY 456 N -1.50 0.59 3.82 5.37 0.00 0.55 -5.06 105.19 108.96 3itk n GLY 456 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3itk n GLY 456 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itk s PHE 457 N -1.36 3.16 -0.40 1.61 0.40 0.08 -4.70 117.98 116.77 3itk s PHE 457 Ca 0.00 1.51 -0.15 0.00 -0.60 0.00 0.00 56.93 57.69 3itk s PHE 457 Cb 0.00 -2.94 0.01 0.00 0.51 0.00 0.00 43.02 40.60 3itk s PHE 457 CO 0.00 -0.78 0.31 -0.65 0.70 0.00 0.00 175.22 174.81 3itk s GLN 458 N -3.90 3.09 -0.21 0.44 -0.21 -0.62 -4.34 119.66 113.92 3itk s GLN 458 Ca 0.63 -0.90 -0.08 0.00 0.02 0.00 0.00 55.36 55.02 3itk s GLN 458 Cb -0.14 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.89 3itk s GLN 458 CO 0.31 -0.71 0.08 -1.50 -2.12 0.00 0.00 175.29 171.35 3itk s ILE 459 N 1.76 4.74 -0.02 1.08 1.10 -1.26 -1.15 121.20 127.46 3itk s ILE 459 Ca 0.06 -0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.20 3itk s ILE 459 Cb -0.18 -3.17 -0.01 0.00 0.15 0.00 0.00 42.46 39.25 3itk s ILE 459 CO 0.11 0.41 -0.12 -1.61 -2.11 0.00 0.00 174.94 171.61 3itk s GLU 460 N 0.82 1.12 0.32 3.50 2.02 0.07 -4.49 118.70 122.06 3itk s GLU 460 Ca 0.04 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.65 3itk s GLU 460 Cb -0.13 -1.05 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 3itk s GLU 460 CO 0.02 0.23 0.29 -0.08 0.02 0.00 0.00 175.26 175.74 3itk s THR 461 N -0.12 0.00 -0.13 3.63 -1.32 -1.26 -0.74 115.64 115.70 3itk s THR 461 Ca 0.02 -1.96 -0.23 0.00 -1.21 0.00 0.00 61.69 58.30 3itk s THR 461 Cb -0.07 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 3itk s THR 461 CO 0.00 0.00 0.73 -0.63 -2.21 0.00 0.00 174.62 172.51 3itk s ILE 462 N -3.46 4.99 0.00 5.08 1.01 -1.22 -4.22 121.20 123.37 3itk s ILE 462 Ca 0.40 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.50 3itk s ILE 462 Cb 0.02 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3itk s ILE 462 CO 0.26 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3itk n GLY 463 N 3.38 0.50 3.65 6.18 0.00 -1.25 -4.88 105.19 112.77 3itk n GLY 463 Ca 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 3itk n GLY 463 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3itk s LYS 464 N -1.92 0.20 -0.13 1.61 2.20 -1.26 -1.21 119.74 119.23 3itk s LYS 464 Ca 0.00 0.27 -0.16 0.00 -0.36 0.00 0.00 55.97 55.73 3itk s LYS 464 Cb 0.00 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 3itk s LYS 464 CO 0.00 -0.03 0.38 -1.59 -0.36 0.00 0.00 175.35 173.75 3itk s LYS 465 N 0.49 4.27 0.00 4.03 0.00 -1.26 -4.27 119.74 123.00 3itk s LYS 465 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 55.97 56.23 3itk s LYS 465 Cb -0.04 -3.42 0.00 0.00 0.00 0.00 0.00 37.83 34.37 3itk s LYS 465 CO -0.12 0.23 0.00 0.28 0.00 0.00 0.00 175.35 175.74