#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpk s GLN 2 N 0.00 0.37 -0.04 1.57 0.74 -1.26 -4.98 119.66 116.06 1rpk s GLN 2 Ca 0.00 1.11 -0.02 0.00 0.05 0.00 0.00 55.36 56.50 1rpk s GLN 2 Cb 0.00 0.42 0.03 0.00 1.10 0.00 0.00 33.01 34.56 1rpk s GLN 2 CO 0.00 -0.24 0.05 0.08 -0.55 0.00 0.00 175.29 174.63 1rpk s VAL 3 N 2.63 -0.04 0.41 1.34 1.01 -1.26 -4.41 120.40 120.08 1rpk s VAL 3 Ca -0.03 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1rpk s VAL 3 Cb -0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1rpk s VAL 3 CO -0.14 0.19 0.65 -0.76 0.00 0.00 0.00 175.10 175.04 1rpk s LEU 4 N 2.07 3.84 -0.07 3.92 1.02 0.47 -1.09 118.68 128.84 1rpk s LEU 4 Ca 0.04 0.65 -0.03 0.00 0.02 0.00 0.00 54.13 54.81 1rpk s LEU 4 Cb -0.12 -3.55 0.04 0.00 0.02 0.00 0.00 46.19 42.58 1rpk s LEU 4 CO -0.03 -0.43 0.13 0.12 0.02 0.00 0.00 176.35 176.16 1rpk s PHE 5 N -2.51 -0.11 -0.45 0.29 5.36 0.20 -0.55 117.98 120.22 1rpk s PHE 5 Ca 0.43 0.50 -0.29 0.00 -0.96 0.00 0.00 56.93 56.62 1rpk s PHE 5 Cb -0.10 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1rpk s PHE 5 CO 0.40 -0.24 1.10 -1.14 -1.46 0.00 0.00 175.22 173.88 1rpk s GLN 6 N 2.19 3.76 -0.22 10.12 0.74 0.60 0.54 119.66 137.40 1rpk s GLN 6 Ca 0.03 0.61 -0.00 0.00 0.05 0.00 0.00 55.36 56.05 1rpk s GLN 6 Cb -0.12 -3.88 0.19 0.00 1.10 0.00 0.00 33.01 30.30 1rpk s GLN 6 CO -0.05 -1.28 1.79 0.41 -0.55 0.00 0.00 175.29 175.61 1rpk n GLY 7 N 4.69 3.48 3.70 2.59 0.00 0.12 -2.02 105.19 117.74 1rpk n GLY 7 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1rpk n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rpk s PHE 8 N -1.35 -0.05 0.22 1.61 -0.71 -1.26 -4.86 117.98 111.57 1rpk s PHE 8 Ca 0.23 -0.13 0.05 0.00 -1.04 0.00 0.00 56.93 56.04 1rpk s PHE 8 Cb 0.19 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.56 1rpk s PHE 8 CO 0.01 -0.45 0.17 0.27 -1.34 0.00 0.00 175.22 173.88 1rpk n ASN 9 N -0.59 -0.20 0.28 1.98 0.23 -1.26 -4.59 115.26 111.11 1rpk n ASN 9 Ca -0.06 -2.40 0.16 0.00 -0.53 0.00 0.00 54.58 51.74 1rpk n ASN 9 Cb 0.62 1.00 0.83 0.00 -2.08 0.00 0.00 39.78 40.15 1rpk n ASN 9 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1rpk h TRP 10 N 1.64 0.00 -0.02 -2.53 -0.00 -1.94 -2.76 115.95 110.34 1rpk h TRP 10 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 1rpk h TRP 10 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.93 1rpk h TRP 10 CO 0.00 0.07 -0.23 0.39 -0.00 0.00 0.00 178.44 178.66 1rpk n GLU 11 N -3.41 1.58 -0.31 2.65 -0.58 -1.26 -4.60 120.64 114.71 1rpk n GLU 11 Ca -0.02 -1.23 0.08 0.00 -0.42 0.00 0.00 57.16 55.57 1rpk n GLU 11 Cb 0.22 -1.47 0.24 0.00 -0.57 0.00 0.00 31.44 29.85 1rpk n GLU 11 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1rpk h SER 12 N 3.01 0.63 -0.02 1.62 0.02 -1.89 -1.74 113.55 115.18 1rpk h SER 12 Ca 0.00 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1rpk h SER 12 Cb 0.77 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1rpk h SER 12 CO 0.00 0.27 0.11 4.11 -1.14 0.00 0.00 176.83 180.19 1rpk h TRP 13 N 0.70 0.00 -0.00 3.45 5.08 -1.82 -1.03 115.95 122.33 1rpk h TRP 13 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 1rpk h TRP 13 Cb 0.66 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1rpk h TRP 13 CO -0.06 0.00 -0.02 1.63 -1.28 0.00 0.00 178.44 178.70 1rpk n LYS 14 N -3.18 0.86 -1.67 0.12 5.02 -0.65 -4.70 118.16 113.96 1rpk n LYS 14 Ca -0.02 -0.14 -0.45 0.00 -2.02 0.00 0.00 58.31 55.68 1rpk n LYS 14 Cb 0.19 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1rpk n LYS 14 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1rpk n GLN 15 N -0.94 2.57 -1.68 1.97 -0.06 -0.39 -4.90 117.38 113.96 1rpk n GLN 15 Ca 0.19 0.94 -0.47 0.00 -2.00 0.00 0.00 57.00 55.67 1rpk n GLN 15 Cb 0.20 -2.84 -0.04 0.00 -4.06 0.00 0.00 30.24 23.50 1rpk n GLN 15 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1rpk n SER 16 N 6.64 3.31 0.00 1.69 2.88 -1.26 -0.49 113.62 126.39 1rpk n SER 16 Ca 0.20 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1rpk n SER 16 Cb 0.35 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1rpk n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rpk n GLY 17 N 3.87 1.45 0.00 0.46 0.00 -1.26 -4.83 105.19 104.88 1rpk n GLY 17 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1rpk n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpk n GLY 18 N -2.00 2.24 0.12 -0.02 0.00 0.35 -4.67 105.19 101.22 1rpk n GLY 18 Ca 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1rpk n GLY 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1rpk h TRP 19 N 0.00 -0.20 -0.80 1.61 2.91 -1.64 -2.59 115.95 115.24 1rpk h TRP 19 Ca 0.00 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.10 1rpk h TRP 19 Cb 0.00 0.07 -0.07 0.00 -0.51 0.00 0.00 29.16 28.65 1rpk h TRP 19 CO 0.00 0.04 0.45 1.88 -1.03 0.00 0.00 178.44 179.79 1rpk h TYR 20 N -0.42 0.82 -0.90 2.65 0.05 -1.87 0.07 116.97 117.37 1rpk h TYR 20 Ca -0.02 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1rpk h TYR 20 Cb 0.33 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.77 1rpk h TYR 20 CO -0.00 0.34 0.60 -0.91 -1.05 0.00 0.00 178.16 177.14 1rpk h ASN 21 N 0.77 1.01 -0.10 3.88 2.35 -1.80 -1.22 115.58 120.47 1rpk h ASN 21 Ca 0.38 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.94 1rpk h ASN 21 Cb 0.33 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1rpk h ASN 21 CO -0.24 0.72 -0.56 -0.03 -1.65 0.00 0.00 177.43 175.68 1rpk h MET 22 N 1.19 0.69 0.00 0.81 4.05 -0.89 -3.06 114.93 117.72 1rpk h MET 22 Ca 0.34 -0.44 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1rpk h MET 22 Cb -0.08 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1rpk h MET 22 CO -0.08 1.06 -0.01 0.52 0.23 0.00 0.00 176.91 178.62 1rpk h MET 23 N 0.53 0.00 -0.68 0.39 2.86 0.18 -1.54 114.93 116.67 1rpk h MET 23 Ca 0.01 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1rpk h MET 23 Cb 1.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 1rpk h MET 23 CO 0.11 0.01 0.45 0.52 1.06 0.00 0.00 176.91 179.07 1rpk h MET 24 N 0.00 0.85 0.00 1.72 2.86 -1.32 -0.61 114.93 118.43 1rpk h MET 24 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1rpk h MET 24 Cb 0.09 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1rpk h MET 24 CO 0.00 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.94 1rpk n GLY 25 N -1.44 -1.11 0.01 8.32 0.00 -0.58 -3.23 105.19 107.16 1rpk n GLY 25 Ca 0.08 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1rpk n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rpk n LYS 26 N -1.24 0.87 -0.20 1.61 4.76 -0.29 -4.73 118.16 118.93 1rpk n LYS 26 Ca 0.14 -0.10 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1rpk n LYS 26 Cb 0.19 -1.31 -0.04 0.00 -1.84 0.00 0.00 35.03 32.03 1rpk n LYS 26 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1rpk h VAL 27 N 0.00 0.09 -0.66 -0.18 2.07 -1.37 -1.72 116.25 114.48 1rpk h VAL 27 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1rpk h VAL 27 Cb 0.60 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1rpk h VAL 27 CO 0.00 0.00 0.44 0.44 0.02 0.00 0.00 177.57 178.47 1rpk h ASP 28 N -0.23 0.71 -0.12 0.57 3.32 -1.85 -0.56 116.42 118.26 1rpk h ASP 28 Ca 0.18 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1rpk h ASP 28 Cb 0.56 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1rpk h ASP 28 CO -0.69 0.50 -0.47 0.44 -1.72 0.00 0.00 179.24 177.31 1rpk h ASP 29 N 0.82 0.73 0.11 6.45 3.32 -1.70 -0.64 116.42 125.51 1rpk h ASP 29 Ca 0.26 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1rpk h ASP 29 Cb 0.01 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1rpk h ASP 29 CO -0.07 1.09 -0.05 0.40 -1.72 0.00 0.00 179.24 178.89 1rpk h ILE 30 N 0.54 1.05 -0.38 0.35 2.04 -0.69 -2.48 117.51 117.94 1rpk h ILE 30 Ca 0.03 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1rpk h ILE 30 Cb 1.01 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1rpk h ILE 30 CO 0.10 0.15 0.10 0.00 0.00 0.00 0.00 178.15 178.49 1rpk h ALA 31 N 0.44 0.50 0.00 1.87 0.00 -1.12 -2.55 119.26 118.41 1rpk h ALA 31 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1rpk h ALA 31 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rpk h ALA 31 CO 0.02 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1rpk h ALA 32 N 0.94 1.08 -0.00 0.00 0.00 -1.13 -0.32 119.26 119.84 1rpk h ALA 32 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rpk h ALA 32 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rpk h ALA 32 CO 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 1rpk n ALA 33 N -2.12 2.67 -0.19 0.00 0.00 -0.94 -4.91 120.51 115.02 1rpk n ALA 33 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1rpk n ALA 33 Cb 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1rpk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rpk n GLY 34 N 1.24 0.89 3.75 0.00 0.00 -0.13 -4.56 105.19 106.39 1rpk n GLY 34 Ca 0.16 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1rpk n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rpk s VAL 35 N -2.00 3.68 -0.05 1.61 1.01 -1.17 -4.57 120.40 118.91 1rpk s VAL 35 Ca 0.00 1.66 0.12 0.00 0.00 0.00 0.00 61.98 63.75 1rpk s VAL 35 Cb 0.00 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.15 1rpk s VAL 35 CO 0.00 0.38 0.19 0.35 0.00 0.00 0.00 175.10 176.03 1rpk n THR 36 N 1.42 0.25 -3.75 3.92 -2.24 -0.25 -4.71 114.28 108.92 1rpk n THR 36 Ca -0.01 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 1rpk n THR 36 Cb 0.45 -0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.46 1rpk n THR 36 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1rpk s HIS 37 N -2.66 -0.15 -0.20 4.78 3.76 -1.12 -0.98 115.29 118.71 1rpk s HIS 37 Ca -0.05 0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.27 1rpk s HIS 37 Cb 0.06 -0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.64 1rpk s HIS 37 CO 0.49 -0.16 -0.03 0.08 -0.85 0.00 0.00 174.74 174.27 1rpk s VAL 38 N 1.18 3.64 -0.26 -0.90 1.01 0.13 -0.62 120.40 124.57 1rpk s VAL 38 Ca -0.09 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1rpk s VAL 38 Cb -0.12 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1rpk s VAL 38 CO -0.06 0.43 0.76 0.86 0.00 0.00 0.00 175.10 177.10 1rpk s TRP 39 N 1.16 3.28 0.16 5.22 -0.00 0.19 -0.46 118.94 128.49 1rpk s TRP 39 Ca 0.02 0.97 0.05 0.00 -0.00 0.00 0.00 56.10 57.14 1rpk s TRP 39 Cb -0.15 -3.03 -0.04 0.00 -0.00 0.00 0.00 33.47 30.26 1rpk s TRP 39 CO 0.00 -0.42 0.13 -0.51 -0.00 0.00 0.00 176.95 176.16 1rpk s LEU 40 N 2.77 3.81 1.02 5.86 1.43 0.17 0.12 118.68 133.86 1rpk s LEU 40 Ca 0.32 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 1rpk s LEU 40 Cb -0.15 -2.42 0.20 0.00 0.03 0.00 0.00 46.19 43.85 1rpk s LEU 40 CO 0.09 0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.66 1rpk s PRO 41 N -3.06 0.26 0.01 1.29 0.04 -1.26 -2.25 135.00 130.03 1rpk s PRO 41 Ca 0.31 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1rpk s PRO 41 Cb -0.10 -1.69 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 1rpk s PRO 41 CO 0.23 -2.92 1.93 -2.30 0.04 0.00 0.00 177.00 173.98 1rpk n PRO 42 N -4.35 2.64 0.00 0.56 -0.02 -1.26 -4.24 135.00 128.33 1rpk n PRO 42 Ca 0.06 0.97 0.14 0.00 -2.02 0.00 0.00 63.50 62.64 1rpk n PRO 42 Cb 0.55 -2.88 0.54 0.00 -0.02 0.00 0.00 33.50 31.69 1rpk n PRO 42 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1rpk n PRO 43 N 7.08 0.01 -2.57 0.52 -0.04 -1.26 -4.73 135.00 134.01 1rpk n PRO 43 Ca 0.21 -0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 1rpk n PRO 43 Cb 0.37 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1rpk n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rpk s SER 44 N -2.99 5.10 0.23 3.54 0.01 -1.26 -4.46 113.70 113.86 1rpk s SER 44 Ca 0.14 0.00 -0.32 0.00 1.31 0.00 0.00 55.95 57.08 1rpk s SER 44 Cb 0.19 -0.80 -0.13 0.00 0.21 0.00 0.00 66.02 65.49 1rpk s SER 44 CO 0.57 -1.29 1.45 1.57 0.41 0.00 0.00 173.24 175.94 1rpk n HIS 45 N -2.48 2.21 -4.05 2.43 -0.00 -0.75 -4.55 115.22 108.03 1rpk n HIS 45 Ca 0.09 0.39 -0.13 0.00 -0.00 0.00 0.00 57.72 58.08 1rpk n HIS 45 Cb 0.60 -2.48 -0.12 0.00 -0.00 0.00 0.00 29.99 27.99 1rpk n HIS 45 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1rpk s SER 46 N 0.42 0.59 0.24 0.26 0.15 -1.26 -1.45 113.70 112.65 1rpk s SER 46 Ca 0.70 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 57.03 1rpk s SER 46 Cb -0.65 0.02 0.25 0.00 -1.71 0.00 0.00 66.02 63.93 1rpk s SER 46 CO 0.47 -0.14 1.56 0.58 1.20 0.00 0.00 173.24 176.91 1rpk h VAL 47 N 4.71 1.42 -3.25 4.45 2.07 -1.15 -3.42 116.25 121.07 1rpk h VAL 47 Ca -0.32 -2.10 -0.57 0.00 0.82 0.00 0.00 66.70 64.53 1rpk h VAL 47 Cb 1.20 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1rpk h VAL 47 CO 0.44 0.61 -0.23 -0.94 0.02 0.00 0.00 177.57 177.47 1rpk s SER 48 N -6.88 6.58 0.42 0.57 1.04 -1.26 -5.01 113.70 109.16 1rpk s SER 48 Ca -0.03 0.76 0.13 0.00 0.48 0.00 0.00 55.95 57.29 1rpk s SER 48 Cb 0.12 -2.16 0.92 0.00 0.10 0.00 0.00 66.02 65.00 1rpk s SER 48 CO 0.79 0.04 1.95 0.78 0.98 0.00 0.00 173.24 177.79 1rpk h ASN 49 N 2.96 0.05 0.98 7.02 -0.26 -1.98 -2.97 115.58 121.38 1rpk h ASN 49 Ca -0.47 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1rpk h ASN 49 Cb 1.17 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1rpk h ASN 49 CO 0.70 0.25 -0.02 -0.62 -1.06 0.00 0.00 177.43 176.67 1rpk n GLU 50 N -4.28 0.00 0.00 0.81 4.71 -1.26 -4.62 120.64 116.00 1rpk n GLU 50 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1rpk n GLU 50 Cb 0.27 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1rpk n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rpk n GLY 51 N 1.50 0.32 0.38 0.62 0.00 -1.12 -4.54 105.19 102.34 1rpk n GLY 51 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1rpk n GLY 51 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rpk n TYR 52 N -1.99 0.27 -3.07 1.61 4.02 -1.26 -3.78 117.16 112.96 1rpk n TYR 52 Ca 0.00 -0.13 -0.23 0.00 -0.01 0.00 0.00 57.90 57.52 1rpk n TYR 52 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1rpk n TYR 52 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1rpk n MET 53 N 0.09 2.24 -1.71 -0.72 2.81 -1.26 -5.01 117.12 113.56 1rpk n MET 53 Ca 0.07 -4.22 -0.39 0.00 -1.81 0.00 0.00 57.70 51.34 1rpk n MET 53 Cb 0.17 -2.00 0.03 0.00 -0.71 0.00 0.00 33.22 30.72 1rpk n MET 53 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1rpk n PRO 54 N 0.07 1.64 0.00 0.03 -0.04 -1.25 -0.57 135.00 134.88 1rpk n PRO 54 Ca 0.28 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1rpk n PRO 54 Cb 0.50 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1rpk n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rpk n GLY 55 N 0.86 0.31 3.54 0.55 0.00 -0.53 -0.69 105.19 109.24 1rpk n GLY 55 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1rpk n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rpk s ARG 56 N 0.00 3.46 0.35 1.61 0.52 -1.24 -4.77 118.95 118.88 1rpk s ARG 56 Ca 0.00 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1rpk s ARG 56 Cb 0.00 -4.96 0.65 0.00 0.52 0.00 0.00 34.95 31.17 1rpk s ARG 56 CO 0.00 -2.14 1.99 -0.07 0.02 0.00 0.00 175.30 175.10 1rpk h LEU 57 N 12.60 0.73 -0.01 2.53 3.38 -1.71 -2.15 115.31 130.68 1rpk h LEU 57 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rpk h LEU 57 Cb 1.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rpk h LEU 57 CO 1.35 0.51 0.00 -1.22 0.09 0.00 0.00 178.44 179.17 1rpk n TYR 58 N -4.45 0.11 -2.64 1.13 4.01 -0.28 -4.47 117.16 110.56 1rpk n TYR 58 Ca 0.08 0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.42 1rpk n TYR 58 Cb 0.11 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1rpk n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rpk n ASP 59 N -1.59 4.99 0.10 7.72 -0.08 -0.81 -4.72 116.55 122.16 1rpk n ASP 59 Ca 0.06 -2.96 -0.05 0.00 -1.51 0.00 0.00 54.79 50.34 1rpk n ASP 59 Cb 0.33 -1.63 0.03 0.00 2.34 0.00 0.00 41.12 42.19 1rpk n ASP 59 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1rpk h ILE 60 N 4.82 1.55 0.00 5.18 1.08 -1.80 -2.00 117.51 126.35 1rpk h ILE 60 Ca 0.40 -2.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1rpk h ILE 60 Cb 0.82 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 1rpk h ILE 60 CO 1.42 0.77 0.00 0.44 -0.69 0.00 0.00 178.15 180.09 1rpk h ASP 61 N 0.02 0.00 0.04 1.72 3.32 -1.85 -1.87 116.42 117.81 1rpk h ASP 61 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1rpk h ASP 61 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1rpk h ASP 61 CO 0.11 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.59 1rpk n ALA 62 N -2.02 2.66 -1.77 3.45 0.00 -1.21 -4.61 120.51 117.02 1rpk n ALA 62 Ca -0.02 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 1rpk n ALA 62 Cb 0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1rpk n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rpk s SER 63 N -2.09 6.71 0.51 0.00 0.15 -0.70 -4.69 113.70 113.59 1rpk s SER 63 Ca 0.38 2.44 0.33 0.00 0.70 0.00 0.00 55.95 59.79 1rpk s SER 63 Cb 0.21 -2.63 1.38 0.00 -1.71 0.00 0.00 66.02 63.27 1rpk s SER 63 CO 0.37 -0.55 1.97 0.11 1.20 0.00 0.00 173.24 176.34 1rpk h LYS 64 N 3.04 0.00 0.00 5.44 1.79 -1.88 -2.97 116.57 121.99 1rpk h LYS 64 Ca -0.48 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.92 1rpk h LYS 64 Cb 1.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 1rpk h LYS 64 CO 0.64 0.00 -0.31 1.88 -1.08 0.00 0.00 179.45 180.58 1rpk h TYR 65 N 0.00 0.00 0.00 -1.35 0.05 -1.88 -3.43 116.97 110.36 1rpk h TYR 65 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rpk h TYR 65 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1rpk h TYR 65 CO 0.00 0.31 0.00 0.41 -1.05 0.00 0.00 178.16 177.83 1rpk n GLY 66 N 1.05 3.05 3.99 3.88 0.00 -1.12 -2.39 105.19 113.65 1rpk n GLY 66 Ca 0.02 -1.50 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 1rpk n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rpk s ASN 67 N 0.00 3.82 0.32 1.61 2.20 -1.26 -4.30 114.94 117.33 1rpk s ASN 67 Ca 0.00 -0.35 0.03 0.00 -0.94 0.00 0.00 52.86 51.60 1rpk s ASN 67 Cb 0.00 0.17 0.62 0.00 -2.00 0.00 0.00 41.25 40.04 1rpk s ASN 67 CO 0.00 -2.23 1.91 0.00 -2.94 0.00 0.00 177.10 173.84 1rpk h ALA 68 N -0.90 1.60 -0.33 3.54 0.00 -1.89 0.47 119.26 121.74 1rpk h ALA 68 Ca -0.37 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 1rpk h ALA 68 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1rpk h ALA 68 CO 0.35 0.25 -0.41 0.00 0.00 0.00 0.00 179.25 179.45 1rpk h ALA 69 N 1.55 0.65 -0.41 0.00 0.00 -1.97 -0.37 119.26 118.71 1rpk h ALA 69 Ca 0.38 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1rpk h ALA 69 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rpk h ALA 69 CO -0.15 0.67 -0.29 0.93 0.00 0.00 0.00 179.25 180.41 1rpk h GLU 70 N 0.67 0.88 -0.33 0.00 5.08 -1.78 -1.10 114.58 117.98 1rpk h GLU 70 Ca 0.05 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1rpk h GLU 70 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1rpk h GLU 70 CO 0.09 1.05 -0.01 1.25 -1.00 0.00 0.00 179.01 180.39 1rpk h LEU 71 N 0.75 0.59 -0.63 1.33 5.85 -0.76 -2.32 115.31 120.12 1rpk h LEU 71 Ca 0.08 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1rpk h LEU 71 Cb 0.85 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1rpk h LEU 71 CO 0.08 0.77 0.37 0.11 -0.34 0.00 0.00 178.44 179.42 1rpk h LYS 72 N 0.40 0.70 -0.62 1.25 1.57 -0.95 -0.75 116.57 118.17 1rpk h LYS 72 Ca 0.09 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1rpk h LYS 72 Cb 0.47 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1rpk h LYS 72 CO 0.02 0.46 0.38 0.77 -0.57 0.00 0.00 179.45 180.51 1rpk h SER 73 N 0.72 0.62 -0.10 0.86 0.02 -1.07 0.12 113.55 114.71 1rpk h SER 73 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1rpk h SER 73 Cb 0.08 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1rpk h SER 73 CO -0.13 0.43 0.03 0.25 -1.14 0.00 0.00 176.83 176.27 1rpk h LEU 74 N 0.75 0.14 -1.15 5.07 5.85 -0.80 -1.05 115.31 124.12 1rpk h LEU 74 Ca 0.25 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1rpk h LEU 74 Cb 0.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1rpk h LEU 74 CO -0.10 0.30 -0.22 0.40 -0.34 0.00 0.00 178.44 178.48 1rpk h ILE 75 N -0.03 1.24 -0.57 4.05 2.04 -1.00 0.04 117.51 123.28 1rpk h ILE 75 Ca 0.03 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1rpk h ILE 75 Cb 0.21 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1rpk h ILE 75 CO -0.00 0.34 0.13 1.23 0.00 0.00 0.00 178.15 179.84 1rpk h GLY 76 N 0.95 1.00 0.86 5.37 0.00 -0.81 0.14 103.07 110.58 1rpk h GLY 76 Ca 0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1rpk h GLY 76 CO 0.04 0.59 0.03 0.00 0.00 0.00 0.00 176.54 177.20 1rpk h ALA 77 N 1.02 0.34 -0.21 3.60 0.00 -0.65 0.80 119.26 124.17 1rpk h ALA 77 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1rpk h ALA 77 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1rpk h ALA 77 CO 0.00 0.05 0.04 -0.07 0.00 0.00 0.00 179.25 179.27 1rpk h LEU 78 N 0.24 0.01 -1.57 0.00 3.38 -0.78 -1.63 115.31 114.95 1rpk h LEU 78 Ca 0.08 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1rpk h LEU 78 Cb 0.36 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1rpk h LEU 78 CO 0.01 0.03 0.33 0.45 0.09 0.00 0.00 178.44 179.35 1rpk h HIS 79 N 0.12 0.54 0.00 1.13 3.86 -0.51 0.73 115.15 121.01 1rpk h HIS 79 Ca 0.09 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1rpk h HIS 79 Cb 0.09 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1rpk h HIS 79 CO -0.15 0.31 -0.01 0.78 0.86 0.00 0.00 177.93 179.73 1rpk h GLY 80 N 0.56 0.00 -1.58 2.45 0.00 0.14 -1.49 103.07 103.15 1rpk h GLY 80 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1rpk h GLY 80 CO -0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.77 1rpk n LYS 81 N -3.30 2.96 -1.02 4.80 4.76 0.13 -4.96 118.16 121.53 1rpk n LYS 81 Ca -0.03 -2.35 -0.01 0.00 -2.87 0.00 0.00 58.31 53.05 1rpk n LYS 81 Cb 0.10 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1rpk n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rpk n GLY 82 N 0.37 0.48 3.69 0.72 0.00 -0.56 -4.97 105.19 104.92 1rpk n GLY 82 Ca 0.16 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1rpk n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rpk s VAL 83 N -1.99 5.08 0.50 1.61 1.01 -0.50 -4.89 120.40 121.22 1rpk s VAL 83 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1rpk s VAL 83 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1rpk s VAL 83 CO 0.00 0.46 0.84 -1.10 0.00 0.00 0.00 175.10 175.30 1rpk s GLN 84 N 0.27 3.57 -0.16 2.72 -0.21 -0.16 -2.93 119.66 122.77 1rpk s GLN 84 Ca 0.06 0.33 -0.01 0.00 0.02 0.00 0.00 55.36 55.76 1rpk s GLN 84 Cb -0.12 -2.32 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 1rpk s GLN 84 CO -0.01 -0.27 -0.11 0.00 -2.12 0.00 0.00 175.29 172.78 1rpk s ALA 85 N -2.81 2.65 -0.17 6.09 0.00 -1.26 -0.69 121.76 125.57 1rpk s ALA 85 Ca 0.49 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1rpk s ALA 85 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1rpk s ALA 85 CO 0.46 0.03 0.04 0.42 0.00 0.00 0.00 175.76 176.71 1rpk s ILE 86 N 0.71 4.59 -0.13 0.00 1.01 0.40 -0.22 121.20 127.55 1rpk s ILE 86 Ca -0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 1rpk s ILE 86 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1rpk s ILE 86 CO 0.02 0.48 0.15 0.00 0.00 0.00 0.00 174.94 175.59 1rpk s ALA 87 N 0.28 3.83 -0.56 9.38 0.00 0.44 -0.65 121.76 134.48 1rpk s ALA 87 Ca 0.02 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1rpk s ALA 87 Cb -0.13 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 20.98 1rpk s ALA 87 CO 0.01 0.51 1.18 0.34 0.00 0.00 0.00 175.76 177.80 1rpk s ASP 88 N -0.72 6.49 -0.40 0.00 -1.08 -0.95 -0.94 116.67 119.07 1rpk s ASP 88 Ca 0.14 0.20 -0.19 0.00 -0.52 0.00 0.00 52.55 52.18 1rpk s ASP 88 Cb -0.12 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.80 1rpk s ASP 88 CO 0.03 -1.43 0.55 -0.63 0.52 0.00 0.00 175.17 174.22 1rpk s ILE 89 N 4.84 4.95 -0.62 4.11 -1.09 0.62 -4.08 121.20 129.93 1rpk s ILE 89 Ca 0.44 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.87 1rpk s ILE 89 Cb -0.07 -4.09 0.16 0.00 -1.58 0.00 0.00 42.46 36.88 1rpk s ILE 89 CO 0.27 -0.43 0.48 -0.69 -1.23 0.00 0.00 174.94 173.34 1rpk s VAL 90 N 2.52 4.28 0.00 2.92 1.01 -1.26 -1.23 120.40 128.64 1rpk s VAL 90 Ca 0.19 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.69 1rpk s VAL 90 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1rpk s VAL 90 CO 0.16 -0.88 0.50 2.30 0.00 0.00 0.00 175.10 177.19 1rpk n ILE 91 N 4.04 0.20 -0.21 2.22 -5.35 -1.26 -4.66 119.36 114.34 1rpk n ILE 91 Ca 0.04 -0.47 -0.08 0.00 -0.27 0.00 0.00 62.75 61.98 1rpk n ILE 91 Cb 0.41 1.09 0.05 0.00 -1.74 0.00 0.00 39.64 39.45 1rpk n ILE 91 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1rpk h ASN 92 N 0.00 1.02 -4.16 7.28 -1.24 -1.89 -3.43 115.58 113.16 1rpk h ASN 92 Ca 0.00 -0.27 -0.38 0.00 0.71 0.00 0.00 56.30 56.37 1rpk h ASN 92 Cb 0.27 -0.27 -0.14 0.00 0.73 0.00 0.00 38.32 38.90 1rpk h ASN 92 CO 0.00 1.05 -0.62 -1.38 -1.29 0.00 0.00 177.43 175.19 1rpk s HIS 93 N -5.09 1.62 -0.10 0.67 -3.43 -1.26 -1.89 115.29 105.82 1rpk s HIS 93 Ca -0.11 -1.10 -0.30 0.00 -0.80 0.00 0.00 55.06 52.74 1rpk s HIS 93 Cb 0.14 -0.98 0.08 0.00 -1.43 0.00 0.00 32.58 30.39 1rpk s HIS 93 CO 0.85 -0.23 0.74 0.50 -2.00 0.00 0.00 174.74 174.60 1rpk s ARG 94 N -3.98 0.95 -0.15 -0.38 3.52 -0.69 -4.75 118.95 113.47 1rpk s ARG 94 Ca 0.36 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.23 1rpk s ARG 94 Cb 0.08 0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 33.88 1rpk s ARG 94 CO 0.13 -0.28 0.06 0.00 -0.81 0.00 0.00 175.30 174.41 1rpk s ALA 96 N -0.12 3.50 0.30 0.00 0.00 -1.26 -4.27 121.76 119.90 1rpk s ALA 96 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1rpk s ALA 96 Cb -0.12 -2.67 0.46 0.00 0.00 0.00 0.00 23.12 20.79 1rpk s ALA 96 CO 0.01 0.13 1.83 -0.44 0.00 0.00 0.00 175.76 177.28 1rpk h ASP 97 N 6.00 0.65 -2.73 0.00 5.19 -1.83 -3.43 116.42 120.27 1rpk h ASP 97 Ca -0.44 -0.13 -0.62 0.00 -0.62 0.00 0.00 57.03 55.21 1rpk h ASP 97 Cb 1.19 -0.17 -0.15 0.00 0.18 0.00 0.00 39.33 40.38 1rpk h ASP 97 CO 0.71 0.70 -0.76 -0.31 -3.12 0.00 0.00 179.24 176.46 1rpk s TYR 98 N -5.04 2.41 0.39 4.55 2.02 -0.64 -5.01 117.35 116.03 1rpk s TYR 98 Ca -0.09 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.19 1rpk s TYR 98 Cb 0.15 -1.13 -0.07 0.00 -0.40 0.00 0.00 41.96 40.51 1rpk s TYR 98 CO 0.79 0.59 0.78 0.15 -1.57 0.00 0.00 175.55 176.28 1rpk s LYS 99 N -3.08 3.84 0.14 -0.62 1.02 -1.26 -1.80 119.74 117.98 1rpk s LYS 99 Ca 0.26 0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.81 1rpk s LYS 99 Cb -0.07 -2.38 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1rpk s LYS 99 CO 0.14 -0.01 0.19 -0.40 -0.92 0.00 0.00 175.35 174.35 1rpk n ASP 100 N -1.10 0.54 0.03 2.83 5.75 0.24 -4.77 116.55 120.06 1rpk n ASP 100 Ca 0.03 -1.37 0.04 0.00 -0.01 0.00 0.00 54.79 53.48 1rpk n ASP 100 Cb 0.54 -0.10 0.19 0.00 -1.03 0.00 0.00 41.12 40.72 1rpk n ASP 100 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1rpk n SER 101 N -2.80 0.10 -0.33 -1.12 3.41 -1.26 -0.70 113.62 110.92 1rpk n SER 101 Ca 0.04 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1rpk n SER 101 Cb 0.14 -0.56 0.44 0.00 -0.26 0.00 0.00 64.21 63.98 1rpk n SER 101 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rpk n ARG 102 N -1.63 1.14 -1.04 4.33 1.74 -1.26 -4.90 116.66 115.04 1rpk n ARG 102 Ca 0.01 -0.66 -0.02 0.00 -0.77 0.00 0.00 57.85 56.42 1rpk n ARG 102 Cb 0.07 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1rpk n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rpk n GLY 103 N 1.28 0.50 3.67 -0.13 0.00 0.12 -5.03 105.19 105.60 1rpk n GLY 103 Ca 0.15 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1rpk n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rpk s ILE 104 N -2.05 4.61 -0.93 -0.61 1.01 -1.25 -4.81 121.20 117.17 1rpk s ILE 104 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 1rpk s ILE 104 Cb 0.00 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 1rpk s ILE 104 CO 0.00 0.54 1.70 -0.31 0.00 0.00 0.00 174.94 176.87 1rpk s TYR 105 N -0.28 2.13 0.00 3.97 2.02 -1.26 -0.60 117.35 123.34 1rpk s TYR 105 Ca 0.07 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1rpk s TYR 105 Cb -0.12 -4.35 0.00 0.00 -0.40 0.00 0.00 41.96 37.09 1rpk s TYR 105 CO 0.02 -1.87 0.55 0.00 -1.57 0.00 0.00 175.55 172.68 1rpk s ILE 107 N 0.00 4.55 0.32 0.00 -1.09 -0.74 -2.41 121.20 121.83 1rpk s ILE 107 Ca 0.00 -1.10 -0.13 0.00 -2.23 0.00 0.00 60.65 57.19 1rpk s ILE 107 Cb 0.00 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.13 1rpk s ILE 107 CO 0.00 -0.40 0.71 -0.36 -1.23 0.00 0.00 174.94 173.66 1rpk s PHE 108 N 1.52 3.40 -0.10 3.97 0.40 0.42 -1.62 117.98 125.97 1rpk s PHE 108 Ca 0.03 1.12 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 1rpk s PHE 108 Cb -0.21 -2.47 0.02 0.00 0.51 0.00 0.00 43.02 40.87 1rpk s PHE 108 CO 0.05 0.09 -0.09 -2.00 0.70 0.00 0.00 175.22 173.97 1rpk s GLU 109 N -3.11 1.57 0.37 0.44 2.56 -1.26 -3.60 118.70 115.67 1rpk s GLU 109 Ca 0.52 -0.30 0.18 0.00 0.00 0.00 0.00 54.97 55.38 1rpk s GLU 109 Cb -0.10 -1.52 0.68 0.00 2.00 0.00 0.00 34.13 35.19 1rpk s GLU 109 CO 0.21 -0.18 1.74 0.78 -0.56 0.00 0.00 175.26 177.25 1rpk h GLY 110 N 7.80 0.00 0.00 -1.50 0.00 -1.64 -3.30 103.07 104.43 1rpk h GLY 110 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1rpk h GLY 110 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1rpk n GLY 111 N 0.18 0.95 3.52 4.60 0.00 -1.26 -1.13 105.19 112.05 1rpk n GLY 111 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1rpk n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rpk s THR 112 N -2.00 1.93 0.36 2.61 -4.23 -1.26 -4.50 115.64 108.55 1rpk s THR 112 Ca 0.00 -2.13 0.08 0.00 -1.18 0.00 0.00 61.69 58.47 1rpk s THR 112 Cb 0.00 -2.67 0.13 0.00 1.34 0.00 0.00 72.50 71.30 1rpk s THR 112 CO 0.00 -0.17 1.87 0.77 -0.54 0.00 0.00 174.62 176.54 1rpk h SER 113 N 2.06 0.26 -0.66 3.99 4.64 -1.99 -3.44 113.55 118.40 1rpk h SER 113 Ca -0.42 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rpk h SER 113 Cb 1.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rpk h SER 113 CO 0.71 0.45 0.00 -0.90 -0.87 0.00 0.00 176.83 176.23 1rpk n ASP 114 N -4.23 0.00 -0.81 4.97 5.68 -1.26 -5.01 116.55 115.90 1rpk n ASP 114 Ca -0.01 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.39 1rpk n ASP 114 Cb 0.31 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.58 1rpk n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rpk n GLY 115 N 5.00 0.88 3.67 6.12 0.00 -1.26 -4.86 105.19 114.74 1rpk n GLY 115 Ca 0.00 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 44.98 1rpk n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rpk n ARG 116 N 0.82 1.99 -0.80 1.61 1.74 -1.26 -0.27 116.66 120.49 1rpk n ARG 116 Ca 0.17 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 1rpk n ARG 116 Cb 0.45 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1rpk n ARG 116 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rpk n LEU 117 N 5.01 0.51 -3.48 0.55 4.77 -1.26 -3.72 117.00 119.38 1rpk n LEU 117 Ca 0.21 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1rpk n LEU 117 Cb 0.27 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 1rpk n LEU 117 CO 0.69 -0.31 3.02 0.47 -1.33 0.00 0.00 177.39 179.94 1rpk n ASP 118 N -0.11 6.40 -4.54 -1.43 9.92 0.62 -3.69 116.55 123.73 1rpk n ASP 118 Ca 0.00 -2.66 -0.29 0.00 -0.53 0.00 0.00 54.79 51.30 1rpk n ASP 118 Cb 0.06 -1.55 0.14 0.00 -0.64 0.00 0.00 41.12 39.12 1rpk n ASP 118 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1rpk s TRP 119 N 2.76 2.25 0.09 1.24 0.51 -1.24 -4.78 118.94 119.76 1rpk s TRP 119 Ca 0.59 0.59 0.01 0.00 -2.12 0.00 0.00 56.10 55.17 1rpk s TRP 119 Cb 0.16 -3.71 -0.00 0.00 -0.81 0.00 0.00 33.47 29.11 1rpk s TRP 119 CO -0.06 -2.31 0.04 0.41 -0.51 0.00 0.00 176.95 174.52 1rpk n GLY 120 N -3.17 3.88 0.28 0.98 0.00 -1.26 -0.44 105.19 105.46 1rpk n GLY 120 Ca 0.11 -1.90 0.16 0.00 0.00 0.00 0.00 46.02 44.39 1rpk n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rpk h PRO 121 N 0.00 0.00 0.00 1.61 0.13 -1.80 -1.43 132.00 130.51 1rpk h PRO 121 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1rpk h PRO 121 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1rpk h PRO 121 CO 0.10 0.00 0.00 1.25 -0.23 0.00 0.00 178.00 179.12 1rpk h HIS 122 N 0.00 0.00 -0.12 1.56 2.76 -1.95 -1.35 115.15 116.05 1rpk h HIS 122 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1rpk h HIS 122 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1rpk h HIS 122 CO 0.00 0.00 0.00 -1.33 -1.30 0.00 0.00 177.93 175.30 1rpk n MET 123 N -2.72 2.07 -3.65 5.26 2.81 -0.54 -4.25 117.12 116.11 1rpk n MET 123 Ca -0.01 -1.58 -0.36 0.00 -1.81 0.00 0.00 57.70 53.94 1rpk n MET 123 Cb 0.16 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.11 1rpk n MET 123 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1rpk s ILE 124 N -1.86 5.36 -0.17 2.02 1.01 -0.51 -0.88 121.20 126.17 1rpk s ILE 124 Ca 0.34 0.24 -0.41 0.00 0.00 0.00 0.00 60.65 60.82 1rpk s ILE 124 Cb 0.20 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.96 1rpk s ILE 124 CO 0.31 0.37 1.21 0.00 0.00 0.00 0.00 174.94 176.83 1rpk h ARG 126 N 3.58 0.00 0.00 0.00 0.11 -1.49 -0.37 114.38 116.22 1rpk h ARG 126 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1rpk h ARG 126 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 1rpk h ARG 126 CO 0.74 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.41 1rpk n ASP 127 N -4.49 0.00 -4.06 0.08 5.75 -1.26 -3.72 116.55 108.85 1rpk n ASP 127 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.33 1rpk n ASP 127 Cb 0.12 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1rpk n ASP 127 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1rpk n ASP 128 N -1.30 5.34 0.28 -1.12 -0.08 -0.15 -4.80 116.55 114.73 1rpk n ASP 128 Ca 0.10 -3.12 0.17 0.00 -1.51 0.00 0.00 54.79 50.44 1rpk n ASP 128 Cb 0.18 -1.46 0.95 0.00 2.34 0.00 0.00 41.12 43.13 1rpk n ASP 128 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1rpk h THR 129 N 3.91 0.36 -0.54 5.18 1.35 -1.80 -0.74 112.91 120.62 1rpk h THR 129 Ca 0.34 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.27 1rpk h THR 129 Cb 0.70 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1rpk h THR 129 CO 1.46 0.00 0.36 0.50 -0.25 0.00 0.00 175.52 177.59 1rpk h LYS 130 N 0.00 0.42 0.00 4.72 3.64 -1.92 -3.34 116.57 120.09 1rpk h LYS 130 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rpk h LYS 130 Cb 0.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1rpk h LYS 130 CO -0.00 0.28 -0.84 0.66 -2.27 0.00 0.00 179.45 177.27 1rpk n TYR 131 N -4.47 0.00 -1.25 1.91 4.01 -0.81 -4.99 117.16 111.56 1rpk n TYR 131 Ca 0.08 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.53 1rpk n TYR 131 Cb 0.30 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.50 1rpk n TYR 131 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1rpk s SER 132 N -2.12 2.57 -0.19 7.72 1.04 -0.35 -4.84 113.70 117.53 1rpk s SER 132 Ca 0.00 1.04 0.16 0.00 0.48 0.00 0.00 55.95 57.63 1rpk s SER 132 Cb 0.00 -1.63 0.46 0.00 0.10 0.00 0.00 66.02 64.95 1rpk s SER 132 CO 0.00 -3.15 1.35 -0.90 0.98 0.00 0.00 173.24 171.52 1rpk n ASP 133 N -4.17 3.15 0.00 7.02 5.75 -1.26 -4.92 116.55 122.12 1rpk n ASP 133 Ca 0.06 -3.21 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 1rpk n ASP 133 Cb 0.58 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1rpk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rpk n GLY 134 N -0.89 0.28 0.09 6.12 0.00 -1.26 -4.85 105.19 104.67 1rpk n GLY 134 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1rpk n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rpk n THR 135 N -2.05 0.47 -1.90 2.61 -2.24 -1.26 -4.89 114.28 105.02 1rpk n THR 135 Ca 0.00 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1rpk n THR 135 Cb 0.05 -0.20 0.18 0.00 -2.10 0.00 0.00 70.33 68.27 1rpk n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rpk s ALA 136 N -3.31 2.21 0.90 6.98 0.00 -1.26 -4.99 121.76 122.28 1rpk s ALA 136 Ca 0.01 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 1rpk s ALA 136 Cb 0.11 -2.79 0.13 0.00 0.00 0.00 0.00 23.12 20.57 1rpk s ALA 136 CO 0.79 -2.43 1.13 -0.80 0.00 0.00 0.00 175.76 174.45 1rpk s ASN 137 N -4.83 3.60 0.48 0.00 0.01 -1.26 -4.12 114.94 108.81 1rpk s ASN 137 Ca 0.73 1.03 -0.20 0.00 -0.71 0.00 0.00 52.86 53.71 1rpk s ASN 137 Cb -0.05 -1.63 -0.09 0.00 0.41 0.00 0.00 41.25 39.90 1rpk s ASN 137 CO 0.53 -2.50 1.01 -0.76 -1.51 0.00 0.00 177.10 173.87 1rpk s LEU 138 N -6.02 3.82 0.35 0.60 1.43 -1.26 -1.71 118.68 115.89 1rpk s LEU 138 Ca 0.63 1.83 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 1rpk s LEU 138 Cb -0.15 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.41 1rpk s LEU 138 CO 0.54 -0.69 1.45 -0.67 0.23 0.00 0.00 176.35 177.21 1rpk n ASP 139 N -1.02 3.50 -0.14 2.29 -0.08 -1.26 -4.89 116.55 114.95 1rpk n ASP 139 Ca 0.08 1.21 0.14 0.00 -1.51 0.00 0.00 54.79 54.71 1rpk n ASP 139 Cb 0.53 -1.57 0.64 0.00 2.34 0.00 0.00 41.12 43.05 1rpk n ASP 139 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1rpk n THR 140 N 0.76 0.00 -2.27 5.18 -2.24 -1.26 -4.93 114.28 109.51 1rpk n THR 140 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1rpk n THR 140 Cb 0.37 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1rpk n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rpk n GLY 141 N 1.24 4.02 3.75 3.38 0.00 -1.09 -2.85 105.19 113.64 1rpk n GLY 141 Ca 0.16 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1rpk n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpk s ALA 142 N -1.44 2.08 -0.04 4.61 0.00 -0.70 -4.80 121.76 121.47 1rpk s ALA 142 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 1rpk s ALA 142 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1rpk s ALA 142 CO 0.00 -1.96 0.17 0.34 0.00 0.00 0.00 175.76 174.31 1rpk s ASP 143 N -3.30 6.37 -0.36 0.00 2.15 -1.26 -4.38 116.67 115.88 1rpk s ASP 143 Ca 0.62 0.38 -0.13 0.00 0.43 0.00 0.00 52.55 53.84 1rpk s ASP 143 Cb -0.18 -2.01 -0.00 0.00 -0.30 0.00 0.00 42.92 40.42 1rpk s ASP 143 CO 0.56 0.30 0.25 0.12 -0.17 0.00 0.00 175.17 176.24 1rpk s PHE 144 N -1.25 3.23 0.31 -5.34 5.36 -1.26 -4.99 117.98 114.03 1rpk s PHE 144 Ca 0.24 -0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1rpk s PHE 144 Cb -0.12 -2.50 0.51 0.00 -0.34 0.00 0.00 43.02 40.56 1rpk s PHE 144 CO 0.15 -0.46 1.95 0.00 -1.46 0.00 0.00 175.22 175.40 1rpk h ALA 145 N 8.52 1.48 0.00 11.12 0.00 -1.99 -3.13 119.26 135.25 1rpk h ALA 145 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1rpk h ALA 145 Cb 1.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1rpk h ALA 145 CO 0.67 0.45 0.00 0.00 0.00 0.00 0.00 179.25 180.36 1rpk n ALA 146 N -2.41 2.60 -3.12 0.00 0.00 -1.26 -4.90 120.51 111.42 1rpk n ALA 146 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1rpk n ALA 146 Cb 0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 1rpk n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rpk s ALA 147 N -2.20 -1.11 0.24 0.00 0.00 -1.19 -5.08 121.76 112.42 1rpk s ALA 147 Ca 0.41 0.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 1rpk s ALA 147 Cb 0.21 0.70 -0.13 0.00 0.00 0.00 0.00 23.12 23.91 1rpk s ALA 147 CO 0.40 -0.66 1.50 -2.30 0.00 0.00 0.00 175.76 174.70 1rpk n PRO 148 N -0.19 2.25 -3.57 0.00 -0.02 -1.21 -4.63 135.00 127.64 1rpk n PRO 148 Ca -0.17 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 1rpk n PRO 148 Cb 0.64 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1rpk n PRO 148 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rpk s ASP 149 N 0.49 6.71 0.02 2.55 1.11 -1.26 -1.71 116.67 124.58 1rpk s ASP 149 Ca 0.69 0.86 -0.19 0.00 0.18 0.00 0.00 52.55 54.09 1rpk s ASP 149 Cb -0.61 -2.21 -0.06 0.00 1.07 0.00 0.00 42.92 41.11 1rpk s ASP 149 CO 0.47 0.29 0.54 -0.63 1.18 0.00 0.00 175.17 177.01 1rpk s ILE 150 N -1.18 4.88 -0.94 0.77 -1.09 -0.79 -1.17 121.20 121.68 1rpk s ILE 150 Ca 0.26 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 59.59 1rpk s ILE 150 Cb -0.15 -3.86 0.09 0.00 -1.58 0.00 0.00 42.46 36.95 1rpk s ILE 150 CO 0.14 0.50 1.26 -0.62 -1.23 0.00 0.00 174.94 174.99 1rpk s ASP 151 N -0.70 6.52 0.00 3.58 2.15 -0.06 -4.64 116.67 123.52 1rpk s ASP 151 Ca 0.28 -1.64 0.14 0.00 0.43 0.00 0.00 52.55 51.76 1rpk s ASP 151 Cb -0.18 -2.48 0.74 0.00 -0.30 0.00 0.00 42.92 40.70 1rpk s ASP 151 CO 0.17 -1.32 1.35 1.41 -0.17 0.00 0.00 175.17 176.61 1rpk n HIS 152 N 7.76 0.00 0.52 -5.34 8.25 -1.26 -1.47 115.22 123.68 1rpk n HIS 152 Ca 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.83 1rpk n HIS 152 Cb 0.50 -0.21 0.29 0.00 1.12 0.00 0.00 29.99 31.68 1rpk n HIS 152 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rpk h LEU 153 N 0.00 0.00 -9.54 2.41 3.38 -1.92 -3.42 115.31 106.21 1rpk h LEU 153 Ca 0.00 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.39 1rpk h LEU 153 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1rpk h LEU 153 CO 0.00 0.03 0.68 0.21 0.09 0.00 0.00 178.44 179.45 1rpk s ASN 154 N -4.78 6.89 0.13 -0.43 3.84 -0.54 -4.95 114.94 115.10 1rpk s ASN 154 Ca 0.08 2.26 -0.22 0.00 0.21 0.00 0.00 52.86 55.19 1rpk s ASN 154 Cb 0.11 -2.59 -0.03 0.00 -0.55 0.00 0.00 41.25 38.20 1rpk s ASN 154 CO 0.65 -0.60 1.67 0.44 -2.79 0.00 0.00 177.10 176.47 1rpk h ASP 155 N 6.68 -0.46 -0.77 -4.21 5.19 -1.89 -2.08 116.42 118.89 1rpk h ASP 155 Ca -0.42 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.03 1rpk h ASP 155 Cb 1.21 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.90 1rpk h ASP 155 CO 0.84 -0.20 0.32 -0.09 -3.12 0.00 0.00 179.24 177.00 1rpk h ARG 156 N -0.19 1.15 -0.01 3.56 2.43 -1.97 -1.94 114.38 117.41 1rpk h ARG 156 Ca 0.09 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1rpk h ARG 156 Cb 0.32 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1rpk h ARG 156 CO -0.22 0.92 -0.05 0.28 -1.51 0.00 0.00 179.97 179.39 1rpk h VAL 157 N 1.13 0.88 -0.57 0.20 2.07 -1.80 0.17 116.25 118.34 1rpk h VAL 157 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1rpk h VAL 157 Cb 0.19 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1rpk h VAL 157 CO -0.02 0.00 0.36 1.56 0.02 0.00 0.00 177.57 179.48 1rpk h GLN 158 N -0.08 0.76 0.12 1.57 4.20 -1.24 -0.55 115.11 119.89 1rpk h GLN 158 Ca 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1rpk h GLN 158 Cb 0.11 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1rpk h GLN 158 CO -0.05 0.53 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.49 1rpk h ARG 159 N 0.77 -0.15 -0.08 1.46 2.43 -1.00 -1.77 114.38 116.04 1rpk h ARG 159 Ca 0.21 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.25 1rpk h ARG 159 Cb -0.05 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1rpk h ARG 159 CO -0.04 -0.05 -0.58 0.93 -1.51 0.00 0.00 179.97 178.72 1rpk h GLU 160 N -0.22 0.25 -0.29 0.20 5.08 -0.53 -1.90 114.58 117.17 1rpk h GLU 160 Ca -0.02 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 1rpk h GLU 160 Cb 0.17 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1rpk h GLU 160 CO 0.03 0.75 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.25 1rpk h LEU 161 N 0.19 0.91 -0.77 1.33 3.38 -1.07 -0.39 115.31 118.88 1rpk h LEU 161 Ca -0.00 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1rpk h LEU 161 Cb 1.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1rpk h LEU 161 CO 0.09 1.26 0.43 0.11 0.09 0.00 0.00 178.44 180.41 1rpk h LYS 162 N 0.59 1.08 -0.71 1.13 1.57 -1.25 0.20 116.57 119.18 1rpk h LYS 162 Ca 0.02 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1rpk h LYS 162 Cb 1.08 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1rpk h LYS 162 CO 0.11 0.80 0.28 1.49 -0.57 0.00 0.00 179.45 181.55 1rpk h GLU 163 N 1.07 1.06 -0.28 3.15 4.81 -1.11 -1.09 114.58 122.20 1rpk h GLU 163 Ca 0.27 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1rpk h GLU 163 Cb 0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1rpk h GLU 163 CO -0.04 0.88 0.07 2.35 -0.73 0.00 0.00 179.01 181.54 1rpk h TRP 164 N 1.01 0.46 -0.43 0.92 7.01 -0.42 -2.10 115.95 122.41 1rpk h TRP 164 Ca 0.24 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1rpk h TRP 164 Cb 0.22 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 1rpk h TRP 164 CO 0.02 0.51 0.25 -0.07 -2.79 0.00 0.00 178.44 176.36 1rpk h LEU 165 N 0.28 0.42 -1.51 0.65 3.38 -0.37 -0.48 115.31 117.67 1rpk h LEU 165 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rpk h LEU 165 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1rpk h LEU 165 CO 0.00 0.30 0.16 -0.07 0.09 0.00 0.00 178.44 178.92 1rpk h LEU 166 N 0.51 0.44 -0.55 1.67 3.38 -1.11 -1.92 115.31 117.73 1rpk h LEU 166 Ca 0.17 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1rpk h LEU 166 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1rpk h LEU 166 CO -0.07 0.38 -0.15 -0.25 0.09 0.00 0.00 178.44 178.43 1rpk h TRP 167 N 0.49 1.14 -0.72 1.13 7.01 -0.61 0.95 115.95 125.33 1rpk h TRP 167 Ca 0.13 -0.25 0.04 0.00 2.11 0.00 0.00 58.89 60.91 1rpk h TRP 167 Cb 0.06 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 26.81 1rpk h TRP 167 CO 0.00 1.07 0.48 -0.07 -2.79 0.00 0.00 178.44 177.13 1rpk h LEU 168 N 0.89 0.75 0.06 0.65 3.38 -0.32 0.56 115.31 121.26 1rpk h LEU 168 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1rpk h LEU 168 Cb 0.72 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1rpk h LEU 168 CO 0.06 0.51 -0.03 0.11 0.09 0.00 0.00 178.44 179.18 1rpk h LYS 169 N 0.87 -0.07 -0.11 1.13 1.57 -1.13 -2.22 116.57 116.60 1rpk h LYS 169 Ca 0.29 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1rpk h LYS 169 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1rpk h LYS 169 CO -0.08 0.53 -0.57 0.66 -0.57 0.00 0.00 179.45 179.42 1rpk h SER 170 N -0.80 0.37 0.11 0.86 4.64 -0.49 -0.36 113.55 117.89 1rpk h SER 170 Ca -0.01 -0.20 -0.37 0.00 -0.47 0.00 0.00 61.79 60.74 1rpk h SER 170 Cb 0.64 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 1rpk h SER 170 CO 0.01 0.86 -2.11 -0.67 -0.87 0.00 0.00 176.83 174.06 1rpk n ASP 171 N -3.92 2.00 -0.04 4.97 -0.08 0.19 -4.51 116.55 115.16 1rpk n ASP 171 Ca -0.03 0.13 -0.02 0.00 -1.51 0.00 0.00 54.79 53.37 1rpk n ASP 171 Cb 0.60 -0.69 -0.15 0.00 2.34 0.00 0.00 41.12 43.23 1rpk n ASP 171 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1rpk n LEU 172 N -3.40 0.21 0.00 -2.67 4.77 -1.07 -5.00 117.00 109.84 1rpk n LEU 172 Ca -0.35 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1rpk n LEU 172 Cb 1.04 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.38 1rpk n LEU 172 CO 0.39 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1rpk n GLY 173 N 1.53 0.92 3.75 -0.72 0.00 -0.14 -4.66 105.19 105.86 1rpk n GLY 173 Ca -0.19 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1rpk n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rpk s PHE 174 N -2.00 2.33 -0.11 1.61 0.08 -0.89 -4.76 117.98 114.24 1rpk s PHE 174 Ca 0.00 1.41 0.11 0.00 0.12 0.00 0.00 56.93 58.58 1rpk s PHE 174 Cb 0.00 -3.73 -0.16 0.00 -0.57 0.00 0.00 43.02 38.56 1rpk s PHE 174 CO 0.00 -2.72 0.08 -0.25 -0.10 0.00 0.00 175.22 172.23 1rpk n ASP 175 N -1.11 1.95 -3.76 1.36 8.00 0.69 -4.25 116.55 119.42 1rpk n ASP 175 Ca 0.11 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 1rpk n ASP 175 Cb 0.46 0.93 -0.05 0.00 -0.02 0.00 0.00 41.12 42.43 1rpk n ASP 175 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rpk s ALA 176 N -2.39 0.12 0.17 2.24 0.00 -0.94 -1.32 121.76 119.64 1rpk s ALA 176 Ca -0.06 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 50.90 1rpk s ALA 176 Cb 0.04 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 1rpk s ALA 176 CO 0.51 -0.82 -0.23 -1.58 0.00 0.00 0.00 175.76 173.64 1rpk s TRP 177 N -3.69 2.19 -0.24 0.00 0.23 -0.72 -0.42 118.94 116.30 1rpk s TRP 177 Ca 0.26 -0.38 0.02 0.00 -2.03 0.00 0.00 56.10 53.96 1rpk s TRP 177 Cb -0.00 -1.11 0.06 0.00 0.03 0.00 0.00 33.47 32.44 1rpk s TRP 177 CO 0.12 0.42 -0.08 0.50 0.96 0.00 0.00 176.95 178.87 1rpk s ARG 178 N -2.52 1.92 -0.79 4.98 3.00 -0.12 -0.78 118.95 124.65 1rpk s ARG 178 Ca 0.18 -1.10 -0.24 0.00 -1.00 0.00 0.00 55.73 53.56 1rpk s ARG 178 Cb -0.08 -2.68 0.06 0.00 0.00 0.00 0.00 34.95 32.25 1rpk s ARG 178 CO 0.08 -0.56 1.19 -0.51 0.00 0.00 0.00 175.30 175.50 1rpk s LEU 179 N 1.28 3.85 0.29 -0.88 1.43 -0.11 -0.28 118.68 124.26 1rpk s LEU 179 Ca -0.06 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.74 1rpk s LEU 179 Cb -0.19 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.42 1rpk s LEU 179 CO -0.06 -1.56 1.54 -0.62 0.23 0.00 0.00 176.35 175.88 1rpk s ASP 180 N 3.94 6.45 -1.48 2.29 2.15 -0.37 -1.26 116.67 128.38 1rpk s ASP 180 Ca 0.33 2.88 -0.05 0.00 0.43 0.00 0.00 52.55 56.14 1rpk s ASP 180 Cb -0.09 -2.63 0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1rpk s ASP 180 CO 0.06 -0.85 0.52 0.33 -0.17 0.00 0.00 175.17 175.06 1rpk n PHE 181 N 2.05 -1.70 0.10 -5.34 7.35 -1.25 -4.59 117.46 114.08 1rpk n PHE 181 Ca 0.07 0.76 0.06 0.00 -0.76 0.00 0.00 57.45 57.58 1rpk n PHE 181 Cb 0.38 -3.56 0.31 0.00 0.35 0.00 0.00 39.48 36.96 1rpk n PHE 181 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rpk n ALA 182 N -4.42 0.92 0.28 3.13 0.00 -0.68 -0.07 120.51 119.68 1rpk n ALA 182 Ca -0.21 0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.51 1rpk n ALA 182 Cb 0.63 -1.07 0.72 0.00 0.00 0.00 0.00 19.45 19.74 1rpk n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rpk h ARG 183 N 0.00 0.00 0.00 0.00 3.08 -1.87 -3.17 114.38 112.42 1rpk h ARG 183 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1rpk h ARG 183 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1rpk h ARG 183 CO 0.00 0.03 -0.11 0.78 -1.07 0.00 0.00 179.97 179.60 1rpk h GLY 184 N 1.80 0.00 -3.01 0.04 0.00 -0.68 -1.86 103.07 99.36 1rpk h GLY 184 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1rpk h GLY 184 CO 0.00 0.00 -0.64 -2.52 0.00 0.00 0.00 176.54 173.38 1rpk s TYR 185 N -3.97 0.72 0.67 5.60 -0.85 -1.20 -2.66 117.35 115.67 1rpk s TYR 185 Ca -0.02 -1.15 -0.14 0.00 -0.52 0.00 0.00 57.07 55.24 1rpk s TYR 185 Cb 0.12 -0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.03 1rpk s TYR 185 CO 0.57 -0.48 1.10 -1.54 -1.52 0.00 0.00 175.55 173.68 1rpk s SER 186 N -3.00 5.10 0.48 -0.18 1.04 -1.13 -4.70 113.70 111.31 1rpk s SER 186 Ca 0.18 1.94 0.14 0.00 0.48 0.00 0.00 55.95 58.68 1rpk s SER 186 Cb 0.07 -2.54 1.14 0.00 0.10 0.00 0.00 66.02 64.79 1rpk s SER 186 CO -0.02 -1.63 2.11 -0.65 0.98 0.00 0.00 173.24 174.02 1rpk h PRO 187 N -0.13 0.12 -0.53 4.02 0.11 -1.91 -0.05 132.00 133.64 1rpk h PRO 187 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rpk h PRO 187 Cb 1.24 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1rpk h PRO 187 CO 0.54 0.11 0.34 0.93 -0.21 0.00 0.00 178.00 179.71 1rpk h GLU 188 N 0.13 0.71 -0.32 1.05 3.07 -1.91 0.46 114.58 117.77 1rpk h GLU 188 Ca 0.03 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 1rpk h GLU 188 Cb 0.04 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1rpk h GLU 188 CO -0.00 0.50 -0.31 0.52 -1.40 0.00 0.00 179.01 178.32 1rpk h MET 189 N 0.72 0.68 -0.02 2.33 2.86 -1.43 -2.54 114.93 117.53 1rpk h MET 189 Ca 0.19 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1rpk h MET 189 Cb -0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1rpk h MET 189 CO -0.04 0.90 -0.26 0.00 1.06 0.00 0.00 176.91 178.58 1rpk h ALA 190 N 1.08 1.54 -0.63 6.32 0.00 -0.54 -2.55 119.26 124.47 1rpk h ALA 190 Ca 0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1rpk h ALA 190 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1rpk h ALA 190 CO 0.07 0.35 0.04 -0.22 0.00 0.00 0.00 179.25 179.49 1rpk h LYS 191 N 0.03 1.09 0.10 0.00 3.64 -0.51 -0.58 116.57 120.33 1rpk h LYS 191 Ca 0.00 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1rpk h LYS 191 Cb 0.47 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1rpk h LYS 191 CO 0.03 1.03 -0.35 0.28 -2.27 0.00 0.00 179.45 178.18 1rpk h VAL 192 N 1.00 0.27 -0.44 2.00 2.07 -1.20 0.24 116.25 120.18 1rpk h VAL 192 Ca 0.18 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.61 1rpk h VAL 192 Cb 0.52 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1rpk h VAL 192 CO 0.02 0.00 -0.11 1.88 0.02 0.00 0.00 177.57 179.38 1rpk h TYR 193 N -0.56 0.88 0.26 1.57 0.05 -1.45 0.24 116.97 117.95 1rpk h TYR 193 Ca 0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1rpk h TYR 193 Cb 0.60 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1rpk h TYR 193 CO -0.32 0.87 -0.13 0.82 -1.05 0.00 0.00 178.16 178.35 1rpk h ILE 194 N 0.72 0.77 -0.58 -2.88 2.04 -0.97 -2.43 117.51 114.18 1rpk h ILE 194 Ca 0.12 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1rpk h ILE 194 Cb 0.60 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1rpk h ILE 194 CO 0.04 0.14 0.25 0.44 0.00 0.00 0.00 178.15 179.01 1rpk h ASP 195 N -0.73 0.75 0.73 1.72 5.19 -0.94 -2.49 116.42 120.66 1rpk h ASP 195 Ca -0.04 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1rpk h ASP 195 Cb 0.49 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1rpk h ASP 195 CO 0.06 0.67 0.00 0.61 -3.12 0.00 0.00 179.24 177.46 1rpk n GLY 196 N -1.08 -1.24 0.00 2.75 0.00 0.83 -3.97 105.19 102.48 1rpk n GLY 196 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rpk n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rpk n THR 197 N -1.49 0.00 -3.97 2.61 -2.24 -0.92 -4.99 114.28 103.28 1rpk n THR 197 Ca 0.05 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 1rpk n THR 197 Cb 0.25 1.22 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1rpk n THR 197 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1rpk n SER 198 N -0.15 -3.30 -4.80 3.42 7.64 -0.98 -4.94 113.62 110.52 1rpk n SER 198 Ca 0.00 -1.17 -0.32 0.00 1.01 0.00 0.00 58.87 58.39 1rpk n SER 198 Cb 0.05 -2.39 0.02 0.00 -1.01 0.00 0.00 64.21 60.89 1rpk n SER 198 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rpk s PRO 199 N -6.86 3.17 0.25 1.43 0.04 -1.26 -4.93 135.00 126.85 1rpk s PRO 199 Ca 0.36 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1rpk s PRO 199 Cb -0.17 -2.01 0.31 0.00 0.04 0.00 0.00 34.50 32.67 1rpk s PRO 199 CO 0.93 -0.92 1.75 0.66 0.04 0.00 0.00 177.00 179.46 1rpk h SER 200 N 0.11 0.79 -5.06 6.66 4.64 -1.57 -3.45 113.55 115.67 1rpk h SER 200 Ca -0.46 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 60.61 1rpk h SER 200 Cb 1.22 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 62.96 1rpk h SER 200 CO 0.57 0.85 -0.07 -1.48 -0.87 0.00 0.00 176.83 175.82 1rpk s LEU 201 N -9.19 0.37 -0.29 5.97 0.05 -1.26 -4.92 118.68 109.41 1rpk s LEU 201 Ca -0.10 -0.22 -0.04 0.00 0.05 0.00 0.00 54.13 53.82 1rpk s LEU 201 Cb 0.15 1.84 0.10 0.00 -2.05 0.00 0.00 46.19 46.22 1rpk s LEU 201 CO 0.81 -0.81 0.13 0.00 -0.55 0.00 0.00 176.35 175.94 1rpk s ALA 202 N -3.46 0.60 -0.37 1.48 0.00 -0.83 -1.75 121.76 117.44 1rpk s ALA 202 Ca 0.01 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 1rpk s ALA 202 Cb 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1rpk s ALA 202 CO -0.10 -1.64 0.59 0.54 0.00 0.00 0.00 175.76 175.15 1rpk s VAL 203 N 2.11 4.93 0.18 0.00 0.11 0.04 -1.05 120.40 126.70 1rpk s VAL 203 Ca 0.09 0.41 -0.26 0.00 -2.93 0.00 0.00 61.98 59.28 1rpk s VAL 203 Cb -0.16 -4.06 -0.08 0.00 -1.53 0.00 0.00 36.38 30.55 1rpk s VAL 203 CO -0.36 -0.33 0.82 0.00 -3.33 0.00 0.00 175.10 171.89 1rpk s ALA 204 N 2.61 3.42 -0.87 1.54 0.00 0.13 -0.94 121.76 127.66 1rpk s ALA 204 Ca 0.22 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1rpk s ALA 204 Cb -0.15 -3.02 0.23 0.00 0.00 0.00 0.00 23.12 20.18 1rpk s ALA 204 CO 0.15 0.27 0.80 -2.00 0.00 0.00 0.00 175.76 174.98 1rpk s GLU 205 N -1.14 3.60 -0.45 0.00 2.12 -0.39 -2.16 118.70 120.30 1rpk s GLU 205 Ca 0.37 -2.67 -0.13 0.00 0.36 0.00 0.00 54.97 52.90 1rpk s GLU 205 Cb -0.24 -4.36 0.07 0.00 0.26 0.00 0.00 34.13 29.86 1rpk s GLU 205 CO 0.28 -1.27 0.34 0.08 -0.54 0.00 0.00 175.26 174.15 1rpk s VAL 206 N -0.23 4.89 -0.31 3.70 1.01 -1.26 -1.69 120.40 126.51 1rpk s VAL 206 Ca 0.21 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1rpk s VAL 206 Cb -0.11 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1rpk s VAL 206 CO -0.08 -0.52 0.00 0.86 0.00 0.00 0.00 175.10 175.36 1rpk s TRP 207 N 1.57 3.38 0.26 5.22 -0.11 -1.26 -4.85 118.94 123.15 1rpk s TRP 207 Ca 0.04 -2.22 0.11 0.00 1.22 0.00 0.00 56.10 55.24 1rpk s TRP 207 Cb -0.23 -2.32 -0.05 0.00 -1.50 0.00 0.00 33.47 29.37 1rpk s TRP 207 CO 0.05 -0.87 -0.12 -0.51 -4.62 0.00 0.00 176.95 170.89 1rpk s ASP 208 N 1.24 4.01 0.40 5.86 1.01 -1.26 -5.01 116.67 122.92 1rpk s ASP 208 Ca -0.02 -0.84 -0.27 0.00 0.71 0.00 0.00 52.55 52.13 1rpk s ASP 208 Cb -0.20 -0.55 -0.10 0.00 1.01 0.00 0.00 42.92 43.08 1rpk s ASP 208 CO -0.03 0.03 1.38 0.59 0.21 0.00 0.00 175.17 177.35 1rpk n ASN 209 N -0.65 3.15 -4.62 0.27 4.13 -1.26 -4.99 115.26 111.29 1rpk n ASN 209 Ca -0.06 1.16 -0.36 0.00 1.68 0.00 0.00 54.58 57.00 1rpk n ASN 209 Cb 0.59 -1.56 -0.10 0.00 -1.54 0.00 0.00 39.78 37.17 1rpk n ASN 209 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1rpk s MET 210 N -2.18 3.98 0.19 3.52 -2.45 -1.26 -4.97 119.30 116.13 1rpk s MET 210 Ca 0.58 -0.32 -0.33 0.00 -1.25 0.00 0.00 55.69 54.37 1rpk s MET 210 Cb -0.49 -3.41 -0.13 0.00 1.25 0.00 0.00 34.83 32.05 1rpk s MET 210 CO 0.60 0.08 1.63 0.00 1.05 0.00 0.00 175.02 178.39 1rpk n ALA 211 N 4.18 2.07 -2.49 4.11 0.00 -1.26 -4.93 120.51 122.19 1rpk n ALA 211 Ca -0.16 0.42 -0.23 0.00 0.00 0.00 0.00 53.44 53.47 1rpk n ALA 211 Cb 0.52 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 1rpk n ALA 211 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rpk s THR 212 N 0.91 1.77 0.23 0.00 -4.23 -1.26 -1.41 115.64 111.63 1rpk s THR 212 Ca 0.76 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1rpk s THR 212 Cb -0.59 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1rpk s THR 212 CO 0.37 -0.19 0.23 0.61 -0.54 0.00 0.00 174.62 175.10 1rpk n GLY 213 N -0.70 2.51 0.47 3.99 0.00 -0.38 -4.78 105.19 106.29 1rpk n GLY 213 Ca -0.05 -2.20 0.29 0.00 0.00 0.00 0.00 46.02 44.06 1rpk n GLY 213 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rpk h GLY 214 N 0.17 0.48 -0.54 -0.02 0.00 -2.02 -0.04 103.07 101.10 1rpk h GLY 214 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1rpk h GLY 214 CO 0.19 -0.05 0.00 2.09 0.00 0.00 0.00 176.54 178.77 1rpk n ASP 215 N -4.37 1.44 0.00 0.19 5.68 -1.26 -4.93 116.55 113.29 1rpk n ASP 215 Ca 0.24 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1rpk n ASP 215 Cb 1.03 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 1rpk n ASP 215 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rpk n GLY 216 N 1.12 1.74 3.85 6.12 0.00 -0.03 -5.05 105.19 112.95 1rpk n GLY 216 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1rpk n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rpk s LYS 217 N -0.60 3.92 0.55 1.61 1.02 -1.26 -4.74 119.74 120.23 1rpk s LYS 217 Ca 0.00 0.72 -0.20 0.00 0.02 0.00 0.00 55.97 56.51 1rpk s LYS 217 Cb 0.00 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1rpk s LYS 217 CO 0.00 -0.06 1.19 -1.25 -0.92 0.00 0.00 175.35 174.31 1rpk s PRO 218 N -3.66 3.26 0.71 -1.68 0.04 -1.26 -1.25 135.00 131.15 1rpk s PRO 218 Ca 0.55 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 1rpk s PRO 218 Cb -0.10 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1rpk s PRO 218 CO 0.26 -0.97 1.15 -0.80 0.04 0.00 0.00 177.00 176.69 1rpk s ASN 219 N -1.52 4.56 0.18 6.66 0.01 -0.50 -4.77 114.94 119.56 1rpk s ASN 219 Ca 0.73 2.15 -0.11 0.00 -0.71 0.00 0.00 52.86 54.91 1rpk s ASN 219 Cb -0.29 -2.57 0.09 0.00 0.41 0.00 0.00 41.25 38.89 1rpk s ASN 219 CO 0.33 -2.00 1.73 0.22 -1.51 0.00 0.00 177.10 175.87 1rpk h TYR 220 N -0.29 0.98 -3.59 2.20 3.20 -1.93 -3.40 116.97 114.14 1rpk h TYR 220 Ca -0.47 -0.08 -0.59 0.00 3.14 0.00 0.00 58.73 60.73 1rpk h TYR 220 Cb 1.27 -0.29 -0.09 0.00 1.54 0.00 0.00 36.73 39.15 1rpk h TYR 220 CO 0.51 0.79 0.65 0.34 -1.64 0.00 0.00 178.16 178.81 1rpk s ASP 221 N -6.18 6.60 -0.16 -2.11 -1.08 -1.26 -4.89 116.67 107.59 1rpk s ASP 221 Ca -0.13 0.38 0.14 0.00 -0.52 0.00 0.00 52.55 52.43 1rpk s ASP 221 Cb 0.13 -2.47 0.36 0.00 -1.46 0.00 0.00 42.92 39.48 1rpk s ASP 221 CO 0.81 -1.00 1.19 0.00 0.52 0.00 0.00 175.17 176.68 1rpk n GLN 222 N 7.12 1.33 -0.15 4.34 1.13 -1.26 -4.80 117.38 125.08 1rpk n GLN 222 Ca 0.08 -2.90 0.05 0.00 -1.94 0.00 0.00 57.00 52.29 1rpk n GLN 222 Cb 0.48 -1.44 0.35 0.00 0.11 0.00 0.00 30.24 29.75 1rpk n GLN 222 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1rpk h ASP 223 N 0.64 0.66 -0.07 1.08 5.19 -1.90 -1.33 116.42 120.69 1rpk h ASP 223 Ca -0.01 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 1rpk h ASP 223 Cb 1.07 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 1rpk h ASP 223 CO 0.01 0.44 -0.08 0.00 -3.12 0.00 0.00 179.24 176.49 1rpk h ALA 224 N 1.62 1.48 -0.04 3.45 0.00 -1.98 0.36 119.26 124.14 1rpk h ALA 224 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rpk h ALA 224 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rpk h ALA 224 CO -0.08 0.37 -0.14 1.25 0.00 0.00 0.00 179.25 180.65 1rpk h HIS 225 N 0.32 0.22 0.00 0.00 -0.00 -1.63 -2.59 115.15 111.47 1rpk h HIS 225 Ca 0.07 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.25 1rpk h HIS 225 Cb 0.34 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1rpk h HIS 225 CO 0.01 0.76 -0.48 0.07 -0.00 0.00 0.00 177.93 178.29 1rpk h ARG 226 N -0.38 0.00 -0.64 5.26 0.11 -1.32 -3.04 114.38 114.37 1rpk h ARG 226 Ca -0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 1rpk h ARG 226 Cb 0.77 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.82 1rpk h ARG 226 CO 0.03 0.48 0.20 0.37 0.10 0.00 0.00 179.97 181.15 1rpk h GLN 227 N 0.00 0.97 -0.68 0.08 5.75 -0.23 0.16 115.11 121.16 1rpk h GLN 227 Ca -0.00 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1rpk h GLN 227 Cb 1.07 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.44 1rpk h GLN 227 CO 0.06 0.83 0.45 -0.97 -2.65 0.00 0.00 178.83 176.55 1rpk h ASN 228 N 0.94 0.76 -0.38 -0.69 -1.24 -1.35 0.20 115.58 113.83 1rpk h ASN 228 Ca 0.21 -0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.06 1rpk h ASN 228 Cb 0.27 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1rpk h ASN 228 CO -0.01 0.55 -0.34 -0.07 -1.29 0.00 0.00 177.43 176.27 1rpk h LEU 229 N 0.91 0.95 -0.71 0.34 3.38 -1.39 -2.16 115.31 116.63 1rpk h LEU 229 Ca 0.25 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1rpk h LEU 229 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1rpk h LEU 229 CO -0.06 1.21 0.29 0.58 0.09 0.00 0.00 178.44 180.54 1rpk h VAL 230 N 0.70 1.25 -0.68 1.22 2.07 -0.65 -2.02 116.25 118.14 1rpk h VAL 230 Ca 0.06 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1rpk h VAL 230 Cb 0.92 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1rpk h VAL 230 CO 0.09 0.31 0.39 0.78 0.02 0.00 0.00 177.57 179.16 1rpk h ASN 231 N 1.01 0.82 -0.23 0.57 2.35 -0.46 -0.34 115.58 119.30 1rpk h ASN 231 Ca 0.24 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1rpk h ASN 231 Cb 0.20 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1rpk h ASN 231 CO -0.02 0.64 0.06 -0.25 -1.65 0.00 0.00 177.43 176.22 1rpk h TRP 232 N 0.94 0.38 -0.39 1.19 7.01 -0.82 -1.63 115.95 122.63 1rpk h TRP 232 Ca 0.24 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1rpk h TRP 232 Cb -0.01 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1rpk h TRP 232 CO 0.00 0.45 0.23 0.28 -2.79 0.00 0.00 178.44 176.61 1rpk h VAL 233 N 0.20 1.13 -0.02 2.65 2.07 -0.94 -0.76 116.25 120.59 1rpk h VAL 233 Ca 0.07 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1rpk h VAL 233 Cb 0.26 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1rpk h VAL 233 CO -0.00 0.13 -0.16 0.44 0.02 0.00 0.00 177.57 178.00 1rpk h ASP 234 N 0.50 -0.48 -0.40 0.57 3.32 -0.95 0.11 116.42 119.10 1rpk h ASP 234 Ca 0.14 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1rpk h ASP 234 Cb 0.02 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1rpk h ASP 234 CO -0.02 -0.22 0.23 0.11 -1.72 0.00 0.00 179.24 177.61 1rpk h LYS 235 N -0.26 0.57 0.00 3.56 1.57 -1.11 -1.80 116.57 119.11 1rpk h LYS 235 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rpk h LYS 235 Cb 0.34 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1rpk h LYS 235 CO -0.17 0.43 0.00 1.55 -0.57 0.00 0.00 179.45 180.68 1rpk n VAL 236 N -4.43 0.74 0.00 0.50 3.14 -0.31 -4.65 118.33 113.33 1rpk n VAL 236 Ca 0.03 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1rpk n VAL 236 Cb 0.10 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 1rpk n VAL 236 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rpk n GLY 237 N 0.51 -0.11 7.00 7.55 0.00 -0.69 -4.70 105.19 114.75 1rpk n GLY 237 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rpk n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpk n GLY 238 N 0.00 1.67 0.32 -0.02 0.00 0.36 -3.43 105.19 104.08 1rpk n GLY 238 Ca 0.00 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.64 1rpk n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpk h ALA 239 N -0.97 1.48 -0.32 4.61 0.00 -1.94 -1.40 119.26 120.72 1rpk h ALA 239 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1rpk h ALA 239 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rpk h ALA 239 CO 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 179.25 178.67 1rpk h ALA 240 N 1.74 1.06 -2.67 0.00 0.00 -1.98 -3.45 119.26 113.95 1rpk h ALA 240 Ca 0.58 -0.33 -0.51 0.00 0.00 0.00 0.00 54.91 54.64 1rpk h ALA 240 Cb 1.14 -0.14 0.10 0.00 0.00 0.00 0.00 17.79 18.89 1rpk h ALA 240 CO -0.56 0.57 0.44 0.45 0.00 0.00 0.00 179.25 180.15 1rpk s SER 241 N -6.77 5.33 0.00 0.00 0.15 -0.53 -4.91 113.70 106.97 1rpk s SER 241 Ca -0.08 2.25 0.30 0.00 0.70 0.00 0.00 55.95 59.12 1rpk s SER 241 Cb 0.14 -2.58 1.49 0.00 -1.71 0.00 0.00 66.02 63.35 1rpk s SER 241 CO 0.80 -1.49 2.04 0.00 1.20 0.00 0.00 173.24 175.79 1rpk n ALA 242 N -1.66 2.48 -1.77 5.45 0.00 -1.26 -4.87 120.51 118.88 1rpk n ALA 242 Ca 0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 1rpk n ALA 242 Cb 0.51 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1rpk n ALA 242 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rpk s GLY 243 N -2.61 2.79 0.35 0.00 0.00 -1.26 -1.96 107.32 104.63 1rpk s GLY 243 Ca 0.27 0.93 -0.10 0.00 0.00 0.00 0.00 44.72 45.83 1rpk s GLY 243 CO 0.47 1.40 0.61 -3.16 0.00 0.00 0.00 173.10 172.41 1rpk s MET 244 N -2.62 1.99 0.08 2.90 0.23 -0.22 -4.90 119.30 116.76 1rpk s MET 244 Ca 0.62 -1.54 0.03 0.00 -1.03 0.00 0.00 55.69 53.77 1rpk s MET 244 Cb -0.29 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 1rpk s MET 244 CO 0.35 -0.88 -0.09 0.14 -2.03 0.00 0.00 175.02 172.51 1rpk s VAL 245 N -2.91 0.79 0.25 5.16 -7.23 -0.61 0.20 120.40 116.04 1rpk s VAL 245 Ca 0.23 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1rpk s VAL 245 Cb -0.03 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.70 1rpk s VAL 245 CO 0.15 -0.51 1.13 -0.36 -0.31 0.00 0.00 175.10 175.21 1rpk s PHE 246 N -2.12 3.51 -1.33 2.82 0.08 -0.92 -0.91 117.98 119.12 1rpk s PHE 246 Ca 0.00 1.61 -0.14 0.00 0.12 0.00 0.00 56.93 58.53 1rpk s PHE 246 Cb -0.05 -3.34 0.10 0.00 -0.57 0.00 0.00 43.02 39.16 1rpk s PHE 246 CO -0.00 -0.78 1.86 -3.47 -0.10 0.00 0.00 175.22 172.72 1rpk n ASP 247 N 1.56 4.71 0.30 1.36 -0.08 0.19 -4.73 116.55 119.86 1rpk n ASP 247 Ca 0.00 -2.95 0.18 0.00 -1.51 0.00 0.00 54.79 50.51 1rpk n ASP 247 Cb 0.45 -1.63 0.88 0.00 2.34 0.00 0.00 41.12 43.16 1rpk n ASP 247 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1rpk h PHE 248 N 6.60 0.00 -0.19 -0.67 -1.00 -1.89 -2.00 116.94 117.79 1rpk h PHE 248 Ca 0.45 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.16 1rpk h PHE 248 Cb 0.75 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 1rpk h PHE 248 CO 1.33 0.03 -0.13 1.15 -1.61 0.00 0.00 178.31 179.08 1rpk h THR 249 N 0.00 1.32 -0.70 -1.55 2.02 -1.92 -0.79 112.91 111.30 1rpk h THR 249 Ca -0.00 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1rpk h THR 249 Cb 0.30 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1rpk h THR 249 CO 0.00 0.37 0.17 0.74 0.37 0.00 0.00 175.52 177.17 1rpk h THR 250 N 0.09 1.26 -0.14 3.16 2.02 -1.78 -1.24 112.91 116.29 1rpk h THR 250 Ca 0.04 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1rpk h THR 250 Cb 0.64 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1rpk h THR 250 CO 0.03 0.37 0.09 0.50 0.37 0.00 0.00 175.52 176.89 1rpk h LYS 251 N 1.05 0.19 -0.50 6.66 1.63 -1.22 0.97 116.57 125.35 1rpk h LYS 251 Ca 0.22 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1rpk h LYS 251 Cb 0.37 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1rpk h LYS 251 CO 0.00 0.14 0.05 0.78 -3.45 0.00 0.00 179.45 176.98 1rpk h GLY 252 N 0.18 0.92 0.87 5.01 0.00 -0.99 -1.77 103.07 107.30 1rpk h GLY 252 Ca 0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1rpk h GLY 252 CO -0.01 0.59 -0.11 -2.22 0.00 0.00 0.00 176.54 174.78 1rpk h ILE 253 N 0.73 1.30 -0.77 2.60 2.04 -1.13 -3.19 117.51 119.09 1rpk h ILE 253 Ca 0.15 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1rpk h ILE 253 Cb 0.44 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1rpk h ILE 253 CO 0.02 0.37 0.39 0.25 0.00 0.00 0.00 178.15 179.17 1rpk h LEU 254 N 0.28 0.98 -0.54 1.44 5.85 -0.77 0.16 115.31 122.72 1rpk h LEU 254 Ca 0.06 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1rpk h LEU 254 Cb 0.62 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 1rpk h LEU 254 CO 0.04 0.82 -0.09 0.78 -0.34 0.00 0.00 178.44 179.65 1rpk h ASN 255 N 1.09 -0.41 0.01 1.25 4.21 -1.30 -2.76 115.58 117.67 1rpk h ASN 255 Ca 0.27 0.15 -0.08 0.00 1.21 0.00 0.00 56.30 57.85 1rpk h ASN 255 Cb 0.08 0.30 0.01 0.00 -1.12 0.00 0.00 38.32 37.59 1rpk h ASN 255 CO -0.04 -0.15 -0.33 0.00 -1.29 0.00 0.00 177.43 175.62 1rpk h ALA 256 N 1.52 0.02 -0.76 -0.83 0.00 -1.43 -3.38 119.26 114.40 1rpk h ALA 256 Ca 0.26 -0.51 0.17 0.00 0.00 0.00 0.00 54.91 54.84 1rpk h ALA 256 Cb 0.41 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 1rpk h ALA 256 CO -0.52 0.14 0.03 0.00 0.00 0.00 0.00 179.25 178.91 1rpk h ALA 257 N 0.22 0.82 0.00 0.00 0.00 -0.45 -1.35 119.26 118.51 1rpk h ALA 257 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rpk h ALA 257 Cb 1.12 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1rpk h ALA 257 CO 0.06 -0.42 0.00 1.33 0.00 0.00 0.00 179.25 180.22 1rpk n VAL 258 N -5.32 0.94 -1.52 0.00 0.24 -1.06 0.00 118.33 111.61 1rpk n VAL 258 Ca 0.14 0.48 -0.35 0.00 -2.04 0.00 0.00 64.34 62.57 1rpk n VAL 258 Cb 0.48 -1.45 -0.04 0.00 -1.47 0.00 0.00 33.84 31.36 1rpk n VAL 258 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rpk n GLU 259 N -2.25 3.70 -2.19 7.34 -0.58 -0.51 -4.58 120.64 121.57 1rpk n GLU 259 Ca 0.00 -2.50 -0.18 0.00 -0.42 0.00 0.00 57.16 54.06 1rpk n GLU 259 Cb 0.13 -2.59 -0.02 0.00 -0.57 0.00 0.00 31.44 28.39 1rpk n GLU 259 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rpk n GLY 260 N 2.59 0.04 2.57 0.62 0.00 -1.22 -4.89 105.19 104.90 1rpk n GLY 260 Ca 0.67 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 1rpk n GLY 260 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rpk n GLU 261 N -2.70 2.11 0.00 1.61 1.02 0.10 -4.40 120.64 118.37 1rpk n GLU 261 Ca -0.21 -3.86 0.08 0.00 -0.02 0.00 0.00 57.16 53.15 1rpk n GLU 261 Cb 0.65 -1.74 0.39 0.00 -0.02 0.00 0.00 31.44 30.72 1rpk n GLU 261 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rpk n LEU 262 N -0.18 0.00 0.13 -4.62 4.77 0.06 -2.09 117.00 115.07 1rpk n LEU 262 Ca 0.23 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1rpk n LEU 262 Cb 0.70 -0.32 0.49 0.00 -2.33 0.00 0.00 43.42 41.96 1rpk n LEU 262 CO 0.29 -0.15 0.84 -2.67 -1.33 0.00 0.00 177.39 174.37 1rpk n TRP 263 N -1.32 0.76 0.49 -1.77 4.27 -1.20 -2.35 117.44 116.31 1rpk n TRP 263 Ca 0.07 0.31 0.12 0.00 -3.89 0.00 0.00 57.50 54.11 1rpk n TRP 263 Cb 0.14 -1.00 0.46 0.00 -1.36 0.00 0.00 31.31 29.55 1rpk n TRP 263 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1rpk n ARG 264 N -2.20 0.21 -0.22 -2.67 1.74 -0.89 -3.93 116.66 108.70 1rpk n ARG 264 Ca 0.02 0.34 -0.02 0.00 -0.77 0.00 0.00 57.85 57.42 1rpk n ARG 264 Cb 0.20 -1.84 0.06 0.00 -1.02 0.00 0.00 32.46 29.86 1rpk n ARG 264 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rpk n LEU 265 N -2.22 2.96 -3.73 0.55 4.77 -0.99 -4.73 117.00 113.62 1rpk n LEU 265 Ca 0.03 -1.51 -0.12 0.00 -0.03 0.00 0.00 56.01 54.39 1rpk n LEU 265 Cb 0.30 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1rpk n LEU 265 CO 0.23 0.48 0.02 -0.51 -1.33 0.00 0.00 177.39 176.29 1rpk s ILE 266 N -0.97 -0.02 0.67 -0.08 2.07 -1.25 -4.34 121.20 117.28 1rpk s ILE 266 Ca 0.11 0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.38 1rpk s ILE 266 Cb 0.09 -0.53 0.08 0.00 0.13 0.00 0.00 42.46 42.23 1rpk s ILE 266 CO 0.03 0.02 0.94 1.51 -1.91 0.00 0.00 174.94 175.53 1rpk s ASP 267 N 0.80 4.72 0.00 4.50 1.47 0.19 -4.80 116.67 123.55 1rpk s ASP 267 Ca -0.05 0.03 0.05 0.00 1.18 0.00 0.00 52.55 53.76 1rpk s ASP 267 Cb -0.06 -0.64 0.26 0.00 -0.34 0.00 0.00 42.92 42.15 1rpk s ASP 267 CO -0.06 -1.60 1.05 -2.65 0.68 0.00 0.00 175.17 172.60 1rpk n PRO 268 N -2.75 0.06 0.00 2.11 -0.02 -1.26 -1.47 135.00 131.67 1rpk n PRO 268 Ca 0.11 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1rpk n PRO 268 Cb 0.60 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.65 1rpk n PRO 268 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rpk n GLN 269 N -1.33 1.92 -0.62 -0.52 1.13 -1.26 -4.95 117.38 111.75 1rpk n GLN 269 Ca 0.02 -1.60 0.00 0.00 -1.94 0.00 0.00 57.00 53.48 1rpk n GLN 269 Cb 0.05 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1rpk n GLN 269 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rpk n GLY 270 N 1.33 0.65 3.73 1.08 0.00 -0.54 -5.07 105.19 106.36 1rpk n GLY 270 Ca 0.12 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1rpk n GLY 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rpk s LYS 271 N -0.92 2.46 0.48 1.61 1.02 -1.26 -4.73 119.74 118.40 1rpk s LYS 271 Ca 0.00 -1.41 -0.23 0.00 0.02 0.00 0.00 55.97 54.35 1rpk s LYS 271 Cb 0.00 -2.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1rpk s LYS 271 CO 0.00 0.24 1.26 0.00 -0.92 0.00 0.00 175.35 175.94 1rpk n ALA 272 N -1.09 1.27 0.84 5.17 0.00 -1.26 -0.63 120.51 124.81 1rpk n ALA 272 Ca -0.05 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1rpk n ALA 272 Cb 0.60 -2.28 0.53 0.00 0.00 0.00 0.00 19.45 18.30 1rpk n ALA 272 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rpk n PRO 273 N -0.40 0.07 -1.04 0.00 -0.04 -1.26 -3.63 135.00 128.70 1rpk n PRO 273 Ca 0.08 0.09 -0.02 0.00 -0.04 0.00 0.00 63.50 63.62 1rpk n PRO 273 Cb 0.42 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1rpk n PRO 273 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rpk n GLY 274 N 1.26 1.49 0.39 0.55 0.00 -1.26 -4.81 105.19 102.80 1rpk n GLY 274 Ca 0.06 -2.07 0.20 0.00 0.00 0.00 0.00 46.02 44.20 1rpk n GLY 274 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rpk h VAL 275 N -0.14 0.74 -1.00 1.61 2.07 -1.90 0.72 116.25 118.33 1rpk h VAL 275 Ca -0.03 -0.04 0.24 0.00 0.82 0.00 0.00 66.70 67.70 1rpk h VAL 275 Cb 0.11 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 1rpk h VAL 275 CO 0.03 0.02 0.59 -0.03 0.02 0.00 0.00 177.57 178.21 1rpk h MET 276 N 0.12 0.56 0.00 1.57 1.85 -1.90 0.00 114.93 117.14 1rpk h MET 276 Ca 0.30 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 1rpk h MET 276 Cb 1.02 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.93 1rpk h MET 276 CO -0.04 0.37 0.00 0.41 -0.40 0.00 0.00 176.91 177.26 1rpk n GLY 277 N -1.31 -1.47 0.23 1.39 0.00 0.24 -3.19 105.19 101.08 1rpk n GLY 277 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1rpk n GLY 277 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rpk n TRP 278 N -2.04 0.00 -3.19 1.61 8.01 -0.17 -4.69 117.44 116.97 1rpk n TRP 278 Ca 0.05 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.01 1rpk n TRP 278 Cb 0.33 -0.40 -0.06 0.00 -2.01 0.00 0.00 31.31 29.17 1rpk n TRP 278 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.69 178.55 1rpk n TRP 279 N -3.01 -0.22 -0.33 -5.99 -0.00 -0.27 -5.00 117.44 102.63 1rpk n TRP 279 Ca -0.19 -3.63 0.17 0.00 -0.00 0.00 0.00 57.50 53.84 1rpk n TRP 279 Cb 0.68 -0.37 0.40 0.00 -0.00 0.00 0.00 31.31 32.02 1rpk n TRP 279 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1rpk h PRO 280 N 3.72 0.59 0.00 5.87 0.13 -1.66 -0.22 132.00 140.43 1rpk h PRO 280 Ca 0.08 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1rpk h PRO 280 Cb 0.91 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1rpk h PRO 280 CO 0.47 0.39 -0.00 0.00 -0.23 0.00 0.00 178.00 178.63 1rpk h ALA 281 N 1.65 1.01 -0.21 -0.56 0.00 -1.91 -2.40 119.26 116.85 1rpk h ALA 281 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1rpk h ALA 281 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rpk h ALA 281 CO -0.35 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.53 1rpk n LYS 282 N -3.10 2.86 -3.65 0.00 4.76 -0.11 -4.92 118.16 114.00 1rpk n LYS 282 Ca -0.03 -1.94 -0.39 0.00 -2.87 0.00 0.00 58.31 53.08 1rpk n LYS 282 Cb 0.07 -1.23 -0.12 0.00 -1.84 0.00 0.00 35.03 31.92 1rpk n LYS 282 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rpk s ALA 283 N -1.20 3.21 -0.45 7.82 0.00 -0.90 -1.58 121.76 128.65 1rpk s ALA 283 Ca 0.17 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1rpk s ALA 283 Cb 0.10 -2.46 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1rpk s ALA 283 CO 0.09 -1.28 0.38 0.08 0.00 0.00 0.00 175.76 175.03 1rpk s VAL 284 N 1.52 5.21 0.33 0.00 1.01 -0.09 0.52 120.40 128.91 1rpk s VAL 284 Ca 0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1rpk s VAL 284 Cb -0.19 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1rpk s VAL 284 CO 0.05 -0.49 0.64 0.42 0.00 0.00 0.00 175.10 175.73 1rpk s THR 285 N 1.74 4.90 0.18 3.92 -4.23 -0.20 0.53 115.64 122.49 1rpk s THR 285 Ca 0.06 0.38 -0.21 0.00 -1.18 0.00 0.00 61.69 60.74 1rpk s THR 285 Cb -0.22 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 69.96 1rpk s THR 285 CO 0.09 -0.35 0.58 0.72 -0.54 0.00 0.00 174.62 175.11 1rpk s PHE 286 N -2.15 -0.34 -0.21 3.99 -0.71 -1.26 -0.08 117.98 117.22 1rpk s PHE 286 Ca 0.48 0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 56.39 1rpk s PHE 286 Cb -0.11 0.51 -0.20 0.00 -1.21 0.00 0.00 43.02 42.01 1rpk s PHE 286 CO 0.28 -0.91 -0.01 0.28 -1.34 0.00 0.00 175.22 173.52 1rpk n VAL 287 N -0.37 1.60 -3.49 -2.49 0.31 -1.26 -4.64 118.33 107.99 1rpk n VAL 287 Ca -0.13 -0.58 -0.10 0.00 -0.01 0.00 0.00 64.34 63.52 1rpk n VAL 287 Cb 0.63 -1.56 -0.02 0.00 -0.91 0.00 0.00 33.84 31.98 1rpk n VAL 287 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1rpk s ASP 288 N -6.75 -0.46 0.00 4.52 1.01 -1.26 -4.38 116.67 109.34 1rpk s ASP 288 Ca -0.31 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 52.90 1rpk s ASP 288 Cb 0.08 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.53 1rpk s ASP 288 CO 0.66 -0.86 0.00 -0.46 0.21 0.00 0.00 175.17 174.72 1rpk n ASN 289 N -0.34 0.53 0.27 0.27 0.23 -1.26 -4.60 115.26 110.36 1rpk n ASN 289 Ca -0.13 -0.77 0.15 0.00 -0.53 0.00 0.00 54.58 53.31 1rpk n ASN 289 Cb 0.63 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.05 1rpk n ASN 289 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1rpk h HIS 290 N 0.77 0.00 0.01 -2.53 2.07 -1.86 -0.11 115.15 113.49 1rpk h HIS 290 Ca 0.00 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.27 1rpk h HIS 290 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 1rpk h HIS 290 CO 0.00 0.08 -1.34 -0.25 -3.07 0.00 0.00 177.93 173.34 1rpk n ASP 291 N -3.28 1.87 -0.01 3.10 8.00 -1.26 -4.33 116.55 120.65 1rpk n ASP 291 Ca -0.01 0.41 -0.11 0.00 0.71 0.00 0.00 54.79 55.79 1rpk n ASP 291 Cb 0.29 -0.96 0.02 0.00 -0.02 0.00 0.00 41.12 40.45 1rpk n ASP 291 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1rpk h THR 292 N -0.95 1.31 -0.17 -3.53 1.35 -1.87 0.04 112.91 109.09 1rpk h THR 292 Ca -0.37 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1rpk h THR 292 Cb 1.35 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1rpk h THR 292 CO -0.21 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1rpk n GLY 293 N 0.34 3.64 7.00 5.82 0.00 -0.06 -1.47 105.19 120.47 1rpk n GLY 293 Ca -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1rpk n GLY 293 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rpk n SER 294 N 0.00 0.00 -0.05 1.61 2.88 -1.26 -0.65 113.62 116.15 1rpk n SER 294 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1rpk n SER 294 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 1rpk n SER 294 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1rpk n THR 295 N 0.00 0.00 0.07 2.46 -2.24 -1.26 -3.66 114.28 109.64 1rpk n THR 295 Ca 0.00 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1rpk n THR 295 Cb 0.00 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 1rpk n THR 295 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1rpk h GLN 296 N 0.24 0.17 -6.92 -0.78 4.20 -1.69 -3.48 115.11 106.86 1rpk h GLN 296 Ca 0.00 -0.28 -0.59 0.00 0.06 0.00 0.00 58.65 57.84 1rpk h GLN 296 Cb 0.48 0.11 -0.16 0.00 0.30 0.00 0.00 27.48 28.21 1rpk h GLN 296 CO 0.00 1.06 -0.95 0.00 -0.67 0.00 0.00 178.83 178.27 1rpk n ALA 297 N -2.53 -2.05 0.15 3.87 0.00 0.17 -4.85 120.51 115.27 1rpk n ALA 297 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 53.44 52.97 1rpk n ALA 297 Cb 1.01 -1.10 0.21 0.00 0.00 0.00 0.00 19.45 19.57 1rpk n ALA 297 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1rpk h MET 298 N -1.85 0.00 0.00 0.00 2.86 -0.37 -3.39 114.93 112.18 1rpk h MET 298 Ca -0.66 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 56.76 1rpk h MET 298 Cb 1.39 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.91 1rpk h MET 298 CO 0.67 0.55 -0.38 1.87 1.06 0.00 0.00 176.91 180.68 1rpk n TRP 299 N -3.70 -2.62 -1.99 -0.22 -0.00 -0.58 -4.95 117.44 103.38 1rpk n TRP 299 Ca -0.01 -1.98 -0.41 0.00 -0.00 0.00 0.00 57.50 55.10 1rpk n TRP 299 Cb 0.59 1.59 -0.01 0.00 -0.00 0.00 0.00 31.31 33.48 1rpk n TRP 299 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1rpk s PRO 300 N 0.25 4.26 0.34 5.87 0.04 -0.54 -4.68 135.00 140.53 1rpk s PRO 300 Ca 0.22 2.36 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 1rpk s PRO 300 Cb 0.29 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 1rpk s PRO 300 CO -0.07 -0.33 1.24 0.12 0.04 0.00 0.00 177.00 178.00 1rpk s PHE 301 N -1.12 3.15 -0.39 0.56 5.36 -1.26 -4.82 117.98 119.44 1rpk s PHE 301 Ca 0.50 1.50 -0.40 0.00 -0.96 0.00 0.00 56.93 57.58 1rpk s PHE 301 Cb -0.42 -3.55 -0.15 0.00 -0.34 0.00 0.00 43.02 38.56 1rpk s PHE 301 CO 0.57 -1.50 2.06 -2.30 -1.46 0.00 0.00 175.22 172.59 1rpk n PRO 302 N 0.70 0.68 -0.31 10.12 -0.02 -1.26 -4.75 135.00 140.16 1rpk n PRO 302 Ca 0.01 0.21 0.28 0.00 -2.02 0.00 0.00 63.50 61.97 1rpk n PRO 302 Cb 0.43 -2.03 0.62 0.00 -0.02 0.00 0.00 33.50 32.50 1rpk n PRO 302 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rpk h SER 303 N 9.91 0.24 0.00 2.55 4.64 -2.01 0.15 113.55 129.04 1rpk h SER 303 Ca -0.26 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1rpk h SER 303 Cb 1.36 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1rpk h SER 303 CO 1.03 0.04 -0.00 -0.90 -0.87 0.00 0.00 176.83 176.13 1rpk n ASP 304 N -4.44 0.57 -0.12 4.97 5.75 -1.26 -3.85 116.55 118.17 1rpk n ASP 304 Ca 0.25 -1.17 0.03 0.00 -0.01 0.00 0.00 54.79 53.89 1rpk n ASP 304 Cb 1.03 -0.00 0.05 0.00 -1.03 0.00 0.00 41.12 41.17 1rpk n ASP 304 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rpk n LYS 305 N -0.57 1.35 -0.33 0.11 5.02 0.52 -4.83 118.16 119.43 1rpk n LYS 305 Ca 0.22 -1.59 0.16 0.00 -2.02 0.00 0.00 58.31 55.08 1rpk n LYS 305 Cb 0.20 -0.98 0.39 0.00 -0.02 0.00 0.00 35.03 34.62 1rpk n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1rpk h VAL 306 N 1.83 0.65 0.00 -0.18 2.07 -1.65 0.74 116.25 119.72 1rpk h VAL 306 Ca 0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1rpk h VAL 306 Cb 0.92 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1rpk h VAL 306 CO 0.00 0.12 -0.18 0.24 0.02 0.00 0.00 177.57 177.76 1rpk h MET 307 N 0.63 0.00 -0.11 1.57 2.86 -1.91 -0.66 114.93 117.31 1rpk h MET 307 Ca 0.58 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 58.08 1rpk h MET 307 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1rpk h MET 307 CO -0.35 0.18 -0.52 1.96 1.06 0.00 0.00 176.91 179.24 1rpk h GLN 308 N 0.00 0.30 -0.62 1.72 4.20 -1.12 0.12 115.11 119.71 1rpk h GLN 308 Ca -0.00 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1rpk h GLN 308 Cb 0.52 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1rpk h GLN 308 CO 0.02 0.75 0.14 0.78 -0.67 0.00 0.00 178.83 179.86 1rpk h GLY 309 N 1.31 1.05 1.56 3.46 0.00 -0.89 -1.26 103.07 108.30 1rpk h GLY 309 Ca 0.01 -0.64 -0.27 0.00 0.00 0.00 0.00 47.33 46.43 1rpk h GLY 309 CO 0.08 0.59 -1.19 -0.97 0.00 0.00 0.00 176.54 175.06 1rpk h TYR 310 N 0.93 0.59 -0.56 5.60 0.05 -1.18 -1.24 116.97 121.17 1rpk h TYR 310 Ca 0.20 -0.40 0.01 0.00 0.05 0.00 0.00 58.73 58.58 1rpk h TYR 310 Cb 0.34 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 1rpk h TYR 310 CO 0.02 1.28 0.37 0.00 -1.05 0.00 0.00 178.16 178.79 1rpk h ALA 311 N 0.57 1.61 0.27 3.88 0.00 -0.80 0.20 119.26 125.00 1rpk h ALA 311 Ca -0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1rpk h ALA 311 Cb 1.89 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1rpk h ALA 311 CO 0.20 0.35 -0.13 -0.92 0.00 0.00 0.00 179.25 178.76 1rpk h TYR 312 N 0.74 -0.34 -0.00 0.00 3.20 -1.12 -3.24 116.97 116.21 1rpk h TYR 312 Ca 0.21 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1rpk h TYR 312 Cb -0.07 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1rpk h TYR 312 CO -0.00 -0.21 -0.34 -0.84 -1.64 0.00 0.00 178.16 175.13 1rpk h ILE 313 N -0.69 1.24 0.00 1.81 3.07 -1.15 -2.75 117.51 119.04 1rpk h ILE 313 Ca -0.04 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.21 1rpk h ILE 313 Cb 0.28 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 1rpk h ILE 313 CO 0.06 0.33 0.00 -0.07 -1.05 0.00 0.00 178.15 177.42 1rpk h LEU 314 N 0.00 0.00 0.00 0.16 3.38 -0.74 -3.20 115.31 114.91 1rpk h LEU 314 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rpk h LEU 314 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1rpk h LEU 314 CO 0.04 0.00 -1.10 0.35 0.09 0.00 0.00 178.44 177.83 1rpk n THR 315 N -2.61 0.00 -2.87 0.22 -2.24 -1.15 -4.64 114.28 101.00 1rpk n THR 315 Ca 0.03 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1rpk n THR 315 Cb 0.35 0.67 0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1rpk n THR 315 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1rpk s HIS 316 N -2.68 3.06 1.27 4.78 3.76 -1.05 -4.88 115.29 119.55 1rpk s HIS 316 Ca 0.01 0.09 -0.18 0.00 -0.15 0.00 0.00 55.06 54.84 1rpk s HIS 316 Cb 0.11 -2.48 0.31 0.00 1.11 0.00 0.00 32.58 31.63 1rpk s HIS 316 CO 0.63 -0.55 1.01 -2.14 -0.85 0.00 0.00 174.74 172.83 1rpk s PRO 317 N -4.61 -1.71 0.00 8.40 0.02 -1.26 -4.82 135.00 131.01 1rpk s PRO 317 Ca 0.52 0.36 0.00 0.00 0.02 0.00 0.00 61.00 61.90 1rpk s PRO 317 Cb -0.10 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 32.92 1rpk s PRO 317 CO 0.38 -4.13 0.00 0.41 -0.33 0.00 0.00 177.00 173.33 1rpk n GLY 318 N 0.57 -0.43 3.37 0.52 0.00 -0.13 -4.87 105.19 104.22 1rpk n GLY 318 Ca 0.08 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1rpk n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rpk s ILE 319 N -2.39 4.58 0.44 -0.61 1.01 0.19 -4.04 121.20 120.37 1rpk s ILE 319 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 1rpk s ILE 319 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1rpk s ILE 319 CO 0.00 -0.28 1.08 -2.16 0.00 0.00 0.00 174.94 173.59 1rpk s PRO 320 N 1.55 3.95 -0.17 2.79 0.04 -1.26 -1.04 135.00 140.86 1rpk s PRO 320 Ca 0.02 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1rpk s PRO 320 Cb -0.20 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 31.98 1rpk s PRO 320 CO 0.06 -0.34 -0.09 0.00 0.04 0.00 0.00 177.00 176.68 1rpk s ILE 322 N 1.52 4.45 -0.15 0.00 1.01 0.28 -4.32 121.20 123.99 1rpk s ILE 322 Ca 0.01 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 62.05 1rpk s ILE 322 Cb -0.15 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1rpk s ILE 322 CO -0.08 0.33 0.26 0.12 0.00 0.00 0.00 174.94 175.56 1rpk s PHE 323 N -1.38 3.48 0.18 3.97 5.36 -1.26 -0.29 117.98 128.04 1rpk s PHE 323 Ca 0.41 0.57 -0.24 0.00 -0.96 0.00 0.00 56.93 56.70 1rpk s PHE 323 Cb -0.19 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1rpk s PHE 323 CO 0.23 0.32 1.46 0.98 -1.46 0.00 0.00 175.22 176.76 1rpk n TYR 324 N 3.29 -0.23 -0.30 10.12 9.36 -0.86 -1.64 117.16 136.90 1rpk n TYR 324 Ca -0.14 1.17 0.00 0.00 3.32 0.00 0.00 57.90 62.26 1rpk n TYR 324 Cb 0.52 -0.69 0.13 0.00 -0.63 0.00 0.00 39.34 38.67 1rpk n TYR 324 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1rpk h ASP 325 N 0.00 0.82 -0.64 2.98 5.19 -1.88 -1.88 116.42 121.01 1rpk h ASP 325 Ca 0.22 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1rpk h ASP 325 Cb 0.46 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1rpk h ASP 325 CO -0.91 0.53 0.42 0.45 -3.12 0.00 0.00 179.24 176.61 1rpk h HIS 326 N 0.95 0.79 0.01 4.55 3.86 -1.69 0.19 115.15 123.81 1rpk h HIS 326 Ca 0.36 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.55 1rpk h HIS 326 Cb 0.14 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1rpk h HIS 326 CO -0.03 0.49 -0.15 0.35 0.86 0.00 0.00 177.93 179.44 1rpk h PHE 327 N 0.84 0.13 0.00 2.45 3.57 -1.12 -3.33 116.94 119.47 1rpk h PHE 327 Ca 0.24 -0.08 -0.35 0.00 3.53 0.00 0.00 57.97 61.31 1rpk h PHE 327 Cb -0.06 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 1rpk h PHE 327 CO -0.00 0.96 -2.28 1.19 -2.23 0.00 0.00 178.31 175.94 1rpk n PHE 328 N -4.56 0.14 0.67 0.41 3.72 -0.77 -2.75 117.46 114.32 1rpk n PHE 328 Ca -0.10 0.05 0.07 0.00 -0.05 0.00 0.00 57.45 57.42 1rpk n PHE 328 Cb 0.49 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1rpk n PHE 328 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1rpk n ASN 329 N -2.78 1.62 -0.64 4.37 5.03 0.62 -4.53 115.26 118.94 1rpk n ASN 329 Ca -0.30 -1.31 0.08 0.00 0.87 0.00 0.00 54.58 53.92 1rpk n ASN 329 Cb 1.13 0.43 0.08 0.00 -1.02 0.00 0.00 39.78 40.40 1rpk n ASN 329 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1rpk n TRP 330 N -0.06 0.05 -1.26 3.10 7.02 -0.90 -4.97 117.44 120.41 1rpk n TRP 330 Ca 0.06 -0.04 -0.02 0.00 -1.02 0.00 0.00 57.50 56.49 1rpk n TRP 330 Cb 0.32 -0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.21 1rpk n TRP 330 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rpk n GLY 331 N 0.88 0.46 0.75 6.99 0.00 -1.26 -4.94 105.19 108.06 1rpk n GLY 331 Ca 0.10 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.22 1rpk n GLY 331 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rpk n PHE 332 N -3.18 0.29 -0.18 1.61 3.72 -1.25 -4.74 117.46 113.72 1rpk n PHE 332 Ca -0.02 -0.22 -0.08 0.00 -0.05 0.00 0.00 57.45 57.08 1rpk n PHE 332 Cb 0.15 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1rpk n PHE 332 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1rpk h LYS 333 N 2.97 -0.24 -0.52 -1.08 3.64 -1.71 0.27 116.57 119.90 1rpk h LYS 333 Ca 0.00 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1rpk h LYS 333 Cb 0.73 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1rpk h LYS 333 CO 0.00 -0.16 0.02 -0.44 -2.27 0.00 0.00 179.45 176.60 1rpk h ASP 334 N -0.25 0.87 -0.63 4.20 3.32 -1.88 -0.62 116.42 121.44 1rpk h ASP 334 Ca 0.17 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1rpk h ASP 334 Cb 0.57 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1rpk h ASP 334 CO -0.65 0.95 0.31 1.56 -1.72 0.00 0.00 179.24 179.69 1rpk h GLN 335 N 0.77 0.90 -0.40 3.56 4.20 -1.70 -0.45 115.11 121.98 1rpk h GLN 335 Ca 0.15 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1rpk h GLN 335 Cb 0.49 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1rpk h GLN 335 CO 0.02 0.71 -0.01 0.82 -0.67 0.00 0.00 178.83 179.70 1rpk h ILE 336 N 0.86 1.26 -0.69 2.54 2.04 -0.38 -1.89 117.51 121.25 1rpk h ILE 336 Ca 0.22 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1rpk h ILE 336 Cb 0.11 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1rpk h ILE 336 CO -0.03 0.35 0.44 0.00 0.00 0.00 0.00 178.15 178.91 1rpk h ALA 337 N 0.88 0.87 -0.60 1.87 0.00 -0.89 -1.85 119.26 119.55 1rpk h ALA 337 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rpk h ALA 337 Cb 0.50 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1rpk h ALA 337 CO 0.02 0.32 0.39 0.00 0.00 0.00 0.00 179.25 179.97 1rpk h ALA 338 N 1.24 1.56 -0.34 0.00 0.00 -0.82 -0.59 119.26 120.30 1rpk h ALA 338 Ca 0.25 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1rpk h ALA 338 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1rpk h ALA 338 CO -0.05 0.41 -0.32 -0.07 0.00 0.00 0.00 179.25 179.22 1rpk h LEU 339 N 0.81 0.88 -0.89 0.00 3.38 -0.73 -2.07 115.31 116.68 1rpk h LEU 339 Ca 0.22 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1rpk h LEU 339 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1rpk h LEU 339 CO -0.05 1.15 0.09 0.58 0.09 0.00 0.00 178.44 180.31 1rpk h VAL 340 N 0.61 1.24 -0.82 1.22 2.07 -0.62 -1.76 116.25 118.19 1rpk h VAL 340 Ca 0.06 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1rpk h VAL 340 Cb 0.90 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1rpk h VAL 340 CO 0.08 0.35 0.42 0.00 0.02 0.00 0.00 177.57 178.43 1rpk h ALA 341 N 1.24 1.05 -0.57 1.67 0.00 -0.98 0.27 119.26 121.94 1rpk h ALA 341 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1rpk h ALA 341 Cb 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rpk h ALA 341 CO 0.01 0.59 0.05 0.82 0.00 0.00 0.00 179.25 180.72 1rpk h ILE 342 N 1.15 1.26 0.06 0.00 2.04 -0.97 0.12 117.51 121.17 1rpk h ILE 342 Ca 0.28 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1rpk h ILE 342 Cb 0.08 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1rpk h ILE 342 CO -0.04 0.38 -0.03 -0.09 0.00 0.00 0.00 178.15 178.37 1rpk h ARG 343 N 0.87 -0.08 -0.10 2.37 2.43 -0.66 -2.29 114.38 116.92 1rpk h ARG 343 Ca 0.17 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1rpk h ARG 343 Cb 0.48 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1rpk h ARG 343 CO 0.02 -0.05 0.01 -0.22 -1.51 0.00 0.00 179.97 178.23 1rpk h LYS 344 N -0.09 0.17 0.00 0.20 3.64 -0.85 -1.41 116.57 118.23 1rpk h LYS 344 Ca -0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1rpk h LYS 344 Cb 0.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1rpk h LYS 344 CO 0.01 0.39 -0.01 0.07 -2.27 0.00 0.00 179.45 177.65 1rpk h ARG 345 N -0.07 0.00 -0.54 1.90 0.11 -0.73 -1.49 114.38 113.55 1rpk h ARG 345 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1rpk h ARG 345 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1rpk h ARG 345 CO 0.00 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.17 1rpk n ASN 346 N -3.66 3.69 -1.17 0.08 3.02 -0.87 -4.95 115.26 111.40 1rpk n ASN 346 Ca -0.03 -1.99 -0.15 0.00 -0.03 0.00 0.00 54.58 52.38 1rpk n ASN 346 Cb 0.09 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 1rpk n ASN 346 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rpk n GLY 347 N 1.55 1.34 3.74 7.41 0.00 -0.56 -4.96 105.19 113.72 1rpk n GLY 347 Ca 0.22 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1rpk n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rpk s ILE 348 N -2.56 3.34 0.32 -0.61 1.01 -0.56 -4.97 121.20 117.17 1rpk s ILE 348 Ca 0.00 1.16 0.05 0.00 0.00 0.00 0.00 60.65 61.86 1rpk s ILE 348 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1rpk s ILE 348 CO 0.00 0.20 0.18 0.35 0.00 0.00 0.00 174.94 175.68 1rpk n THR 349 N 2.19 0.00 0.27 2.92 -2.24 -1.26 -4.70 114.28 111.46 1rpk n THR 349 Ca 0.04 -2.06 0.15 0.00 -2.27 0.00 0.00 64.05 59.91 1rpk n THR 349 Cb 0.44 0.88 0.88 0.00 -2.10 0.00 0.00 70.33 70.43 1rpk n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rpk h ALA 350 N 1.74 1.63 -0.61 6.98 0.00 -1.89 -2.28 119.26 124.82 1rpk h ALA 350 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rpk h ALA 350 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1rpk h ALA 350 CO 0.36 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.79 1rpk n THR 351 N -3.88 0.87 -1.29 0.00 -2.24 -1.26 -0.96 114.28 105.52 1rpk n THR 351 Ca -0.02 -0.93 -0.36 0.00 -2.27 0.00 0.00 64.05 60.47 1rpk n THR 351 Cb 0.14 0.63 0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1rpk n THR 351 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1rpk n SER 352 N 1.52 -0.19 -4.76 3.42 7.64 -0.86 -4.95 113.62 115.44 1rpk n SER 352 Ca 0.22 0.62 -0.40 0.00 1.01 0.00 0.00 58.87 60.33 1rpk n SER 352 Cb 0.60 -1.34 -0.06 0.00 -1.01 0.00 0.00 64.21 62.41 1rpk n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rpk s ALA 353 N -1.89 3.39 -0.17 -0.43 0.00 -1.26 -4.65 121.76 116.75 1rpk s ALA 353 Ca 0.70 0.49 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1rpk s ALA 353 Cb -0.34 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1rpk s ALA 353 CO 0.54 0.23 -0.17 -1.17 0.00 0.00 0.00 175.76 175.19 1rpk s LEU 354 N -1.08 2.32 -0.25 0.00 2.96 -1.26 -1.26 118.68 120.12 1rpk s LEU 354 Ca 0.39 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1rpk s LEU 354 Cb -0.24 -1.53 0.06 0.00 0.50 0.00 0.00 46.19 44.98 1rpk s LEU 354 CO 0.29 0.05 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.56 1rpk s LYS 355 N 1.04 1.78 -0.20 1.98 2.20 0.33 -4.98 119.74 121.89 1rpk s LYS 355 Ca -0.01 -1.15 -0.27 0.00 -0.36 0.00 0.00 55.97 54.17 1rpk s LYS 355 Cb -0.15 -2.70 -0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1rpk s LYS 355 CO -0.05 -0.62 0.94 0.42 -0.36 0.00 0.00 175.35 175.68 1rpk s ILE 356 N 1.28 4.78 -0.16 5.43 1.01 -1.26 0.61 121.20 132.89 1rpk s ILE 356 Ca -0.05 1.85 0.19 0.00 0.00 0.00 0.00 60.65 62.63 1rpk s ILE 356 Cb -0.19 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.94 1rpk s ILE 356 CO -0.06 -0.08 0.84 0.18 0.00 0.00 0.00 174.94 175.82 1rpk n LEU 357 N 5.79 0.76 -3.64 2.97 4.77 0.20 -4.94 117.00 122.91 1rpk n LEU 357 Ca 0.08 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1rpk n LEU 357 Cb 0.47 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1rpk n LEU 357 CO 0.50 0.03 0.36 -0.32 -1.33 0.00 0.00 177.39 176.63 1rpk s MET 358 N -3.10 0.75 -0.39 3.23 0.00 -0.59 -4.93 119.30 114.27 1rpk s MET 358 Ca -0.03 1.02 0.10 0.00 0.00 0.00 0.00 55.69 56.79 1rpk s MET 358 Cb 0.09 0.30 0.32 0.00 0.00 0.00 0.00 34.83 35.54 1rpk s MET 358 CO 0.81 -0.11 0.74 -2.39 0.00 0.00 0.00 175.02 174.07 1rpk n HIS 359 N 3.24 -0.51 -3.46 4.11 1.44 -1.24 -1.02 115.22 117.78 1rpk n HIS 359 Ca -0.16 -3.44 -0.19 0.00 -2.01 0.00 0.00 57.72 51.92 1rpk n HIS 359 Cb 0.56 -0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.62 1rpk n HIS 359 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1rpk s GLU 360 N -1.64 2.91 0.28 -1.40 2.02 -0.50 -3.79 118.70 116.58 1rpk s GLU 360 Ca 0.36 -1.17 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 1rpk s GLU 360 Cb 0.30 -2.69 0.66 0.00 0.10 0.00 0.00 34.13 32.50 1rpk s GLU 360 CO -0.09 -0.02 1.63 0.78 0.02 0.00 0.00 175.26 177.57 1rpk h GLY 361 N 0.93 1.22 -1.20 -1.39 0.00 -1.88 -2.15 103.07 98.62 1rpk h GLY 361 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1rpk h GLY 361 CO 0.53 -0.38 0.00 2.09 0.00 0.00 0.00 176.54 178.78 1rpk n ASP 362 N -5.30 3.40 -3.30 0.19 5.75 -1.26 -0.76 116.55 115.26 1rpk n ASP 362 Ca 0.20 -2.85 -0.02 0.00 -0.01 0.00 0.00 54.79 52.11 1rpk n ASP 362 Cb 0.65 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 1rpk n ASP 362 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rpk s ALA 363 N -2.51 -1.77 -0.20 2.12 0.00 -0.81 -1.57 121.76 117.01 1rpk s ALA 363 Ca 0.36 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 1rpk s ALA 363 Cb 0.29 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1rpk s ALA 363 CO 0.08 -1.23 -0.08 -0.47 0.00 0.00 0.00 175.76 174.06 1rpk s TYR 364 N 2.74 2.90 -0.08 0.00 5.04 -0.34 -1.41 117.35 126.21 1rpk s TYR 364 Ca 0.14 -1.04 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 1rpk s TYR 364 Cb -0.15 -2.04 0.02 0.00 0.35 0.00 0.00 41.96 40.15 1rpk s TYR 364 CO -0.18 -0.56 -0.06 0.08 -1.34 0.00 0.00 175.55 173.49 1rpk s VAL 365 N 1.30 0.80 0.10 3.14 1.01 -0.19 -1.31 120.40 125.24 1rpk s VAL 365 Ca 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1rpk s VAL 365 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1rpk s VAL 365 CO -0.04 0.31 -0.11 0.00 0.00 0.00 0.00 175.10 175.26 1rpk s ALA 366 N 1.29 1.15 -0.10 5.51 0.00 -0.29 0.61 121.76 129.92 1rpk s ALA 366 Ca -0.04 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1rpk s ALA 366 Cb -0.14 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1rpk s ALA 366 CO -0.03 -0.01 -0.19 -2.00 0.00 0.00 0.00 175.76 173.54 1rpk s GLU 367 N -2.66 3.10 -0.21 0.00 2.12 0.20 -0.92 118.70 120.34 1rpk s GLU 367 Ca 0.05 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.56 1rpk s GLU 367 Cb -0.04 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1rpk s GLU 367 CO 0.01 0.24 -0.09 0.42 -0.54 0.00 0.00 175.26 175.30 1rpk s ILE 368 N 0.23 2.97 -1.62 -3.70 1.09 0.15 -0.51 121.20 119.80 1rpk s ILE 368 Ca -0.12 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1rpk s ILE 368 Cb -0.16 -2.33 0.00 0.00 -1.06 0.00 0.00 42.46 38.91 1rpk s ILE 368 CO 0.07 0.46 0.00 0.47 -0.10 0.00 0.00 174.94 175.83 1rpk n ASP 369 N 4.74 -4.74 -0.36 3.58 8.00 -0.39 -1.09 116.55 126.30 1rpk n ASP 369 Ca -0.19 0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.51 1rpk n ASP 369 Cb 0.51 -4.12 -0.02 0.00 -0.02 0.00 0.00 41.12 37.47 1rpk n ASP 369 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rpk n GLY 370 N -0.62 0.48 0.01 0.44 0.00 -1.26 -4.78 105.19 99.45 1rpk n GLY 370 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1rpk n GLY 370 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rpk n LYS 371 N -0.00 1.84 -4.31 1.61 5.02 -0.25 -4.97 118.16 117.10 1rpk n LYS 371 Ca -0.05 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1rpk n LYS 371 Cb 0.51 -1.07 -0.15 0.00 -0.02 0.00 0.00 35.03 34.30 1rpk n LYS 371 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rpk s VAL 372 N -2.14 0.65 -0.02 -0.18 1.01 -0.84 -3.67 120.40 115.20 1rpk s VAL 372 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1rpk s VAL 372 Cb 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1rpk s VAL 372 CO 0.12 0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 174.50 1rpk s VAL 373 N 0.04 2.28 0.03 2.92 1.01 -0.96 0.30 120.40 126.01 1rpk s VAL 373 Ca -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1rpk s VAL 373 Cb -0.06 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1rpk s VAL 373 CO -0.00 0.57 -0.10 0.54 0.00 0.00 0.00 175.10 176.11 1rpk s VAL 374 N -0.65 0.81 -0.02 2.92 0.11 -0.09 -0.59 120.40 122.89 1rpk s VAL 374 Ca 0.10 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1rpk s VAL 374 Cb -0.10 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1rpk s VAL 374 CO -0.01 -0.05 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.91 1rpk s LYS 375 N -0.97 0.62 0.05 1.54 2.36 0.33 -1.14 119.74 122.53 1rpk s LYS 375 Ca -0.01 -0.19 0.03 0.00 -2.55 0.00 0.00 55.97 53.24 1rpk s LYS 375 Cb -0.07 -0.61 -0.03 0.00 -1.05 0.00 0.00 37.83 36.07 1rpk s LYS 375 CO 0.01 0.07 -0.08 0.96 1.55 0.00 0.00 175.35 177.85 1rpk s ILE 376 N 0.18 0.63 0.00 5.43 -4.36 -0.43 -0.85 121.20 121.80 1rpk s ILE 376 Ca -0.02 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 1rpk s ILE 376 Cb -0.06 -0.78 0.00 0.00 1.25 0.00 0.00 42.46 42.86 1rpk s ILE 376 CO -0.00 -0.42 0.00 0.61 0.24 0.00 0.00 174.94 175.37 1rpk n GLY 377 N 1.27 3.90 0.10 6.27 0.00 -0.44 -1.19 105.19 115.10 1rpk n GLY 377 Ca -0.21 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1rpk n GLY 377 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rpk n SER 378 N 0.00 0.78 -4.67 1.61 3.41 -1.07 -4.54 113.62 109.14 1rpk n SER 378 Ca 0.00 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 1rpk n SER 378 Cb 0.00 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.14 1rpk n SER 378 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1rpk s ARG 379 N -3.10 4.25 -0.01 4.33 3.52 -0.61 -4.93 118.95 122.39 1rpk s ARG 379 Ca 0.11 1.85 -0.22 0.00 -0.13 0.00 0.00 55.73 57.34 1rpk s ARG 379 Cb 0.12 -3.73 -0.13 0.00 -1.56 0.00 0.00 34.95 29.66 1rpk s ARG 379 CO 0.59 -0.66 0.94 -0.92 -0.81 0.00 0.00 175.30 174.43 1rpk h TYR 380 N 8.27 -0.61 -3.53 5.12 3.20 -1.89 -3.44 116.97 124.09 1rpk h TYR 380 Ca -0.33 -0.01 -0.61 0.00 3.14 0.00 0.00 58.73 60.92 1rpk h TYR 380 Cb 1.15 0.20 -0.11 0.00 1.54 0.00 0.00 36.73 39.51 1rpk h TYR 380 CO 0.80 -0.32 0.46 0.34 -1.64 0.00 0.00 178.16 177.80 1rpk s ASP 381 N -4.81 6.58 -0.06 -2.11 2.15 -1.26 -4.82 116.67 112.33 1rpk s ASP 381 Ca -0.12 0.38 0.08 0.00 0.43 0.00 0.00 52.55 53.33 1rpk s ASP 381 Cb 0.01 -2.42 0.13 0.00 -0.30 0.00 0.00 42.92 40.34 1rpk s ASP 381 CO 0.38 -0.81 1.06 1.33 -0.17 0.00 0.00 175.17 176.97 1rpk n VAL 382 N 5.91 0.85 -0.33 1.11 0.24 -1.26 -4.87 118.33 119.98 1rpk n VAL 382 Ca 0.04 -1.02 0.09 0.00 -2.04 0.00 0.00 64.34 61.42 1rpk n VAL 382 Cb 0.48 0.17 0.26 0.00 -1.47 0.00 0.00 33.84 33.29 1rpk n VAL 382 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1rpk h GLY 383 N 0.00 1.57 2.00 7.63 0.00 -1.97 -0.91 103.07 111.39 1rpk h GLY 383 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1rpk h GLY 383 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.52 1rpk h ALA 384 N 1.59 1.00 0.00 3.60 0.00 -2.02 -1.97 119.26 121.45 1rpk h ALA 384 Ca 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 1rpk h ALA 384 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1rpk h ALA 384 CO -0.36 0.00 -0.89 0.28 0.00 0.00 0.00 179.25 178.28 1rpk h VAL 385 N 0.00 0.13 -2.76 0.00 2.07 -1.56 -3.46 116.25 110.67 1rpk h VAL 385 Ca 0.00 -1.23 -0.56 0.00 0.82 0.00 0.00 66.70 65.73 1rpk h VAL 385 Cb 0.18 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1rpk h VAL 385 CO 0.00 0.07 1.03 -0.63 0.02 0.00 0.00 177.57 178.06 1rpk s ILE 386 N -3.24 3.87 0.77 4.57 -1.09 -0.74 -4.99 121.20 120.35 1rpk s ILE 386 Ca 0.00 1.04 -0.15 0.00 -2.23 0.00 0.00 60.65 59.31 1rpk s ILE 386 Cb 0.09 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1rpk s ILE 386 CO 0.77 -0.14 0.96 -2.65 -1.23 0.00 0.00 174.94 172.65 1rpk n PRO 387 N 7.04 0.30 -2.03 2.79 -0.02 -1.26 -4.92 135.00 136.90 1rpk n PRO 387 Ca 0.16 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 1rpk n PRO 387 Cb 0.44 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1rpk n PRO 387 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rpk s ALA 388 N -1.99 3.42 0.00 3.55 0.00 -1.26 -3.22 121.76 122.26 1rpk s ALA 388 Ca 0.71 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1rpk s ALA 388 Cb -0.31 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1rpk s ALA 388 CO 0.53 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1rpk n GLY 389 N 0.69 1.38 3.85 0.00 0.00 -1.26 -5.06 105.19 104.79 1rpk n GLY 389 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1rpk n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rpk s PHE 390 N -2.36 3.54 -0.00 1.61 0.08 -1.20 -4.50 117.98 115.16 1rpk s PHE 390 Ca 0.00 1.08 -0.01 0.00 0.12 0.00 0.00 56.93 58.11 1rpk s PHE 390 Cb 0.00 -2.39 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1rpk s PHE 390 CO 0.00 0.34 0.02 0.14 -0.10 0.00 0.00 175.22 175.62 1rpk s VAL 391 N -1.62 0.05 0.35 -0.44 -7.23 -0.58 -4.92 120.40 106.01 1rpk s VAL 391 Ca 0.43 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 1rpk s VAL 391 Cb -0.14 -0.17 -0.11 0.00 0.56 0.00 0.00 36.38 36.52 1rpk s VAL 391 CO 0.20 -0.21 1.48 0.41 -0.31 0.00 0.00 175.10 176.66 1rpk n THR 392 N 2.39 1.75 0.00 5.32 -1.04 -1.26 -1.20 114.28 120.24 1rpk n THR 392 Ca -0.17 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1rpk n THR 392 Cb 0.58 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1rpk n THR 392 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1rpk n SER 393 N 0.93 1.05 -3.60 8.00 3.41 -0.18 -4.84 113.62 118.40 1rpk n SER 393 Ca 0.04 -0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.33 1rpk n SER 393 Cb 0.38 0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 64.81 1rpk n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rpk s ALA 394 N -0.76 -1.80 0.06 7.33 0.00 -1.11 -5.01 121.76 120.47 1rpk s ALA 394 Ca 0.00 1.78 -0.26 0.00 0.00 0.00 0.00 51.96 53.48 1rpk s ALA 394 Cb 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 23.12 22.37 1rpk s ALA 394 CO 0.00 -0.34 0.75 -3.38 0.00 0.00 0.00 175.76 172.79 1rpk s HIS 395 N -0.17 -0.45 0.00 0.00 -3.43 -1.26 0.31 115.29 110.28 1rpk s HIS 395 Ca -0.03 0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 1rpk s HIS 395 Cb -0.03 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1rpk s HIS 395 CO 0.03 -0.68 0.00 0.41 -2.00 0.00 0.00 174.74 172.49 1rpk n GLY 396 N -0.21 2.37 3.59 -1.38 0.00 -0.17 -4.97 105.19 104.41 1rpk n GLY 396 Ca -0.13 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1rpk n GLY 396 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rpk s ASN 397 N 2.00 5.25 -1.77 1.61 0.01 -1.26 -2.41 114.94 118.37 1rpk s ASN 397 Ca 0.00 1.69 0.00 0.00 -0.71 0.00 0.00 52.86 53.84 1rpk s ASN 397 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1rpk s ASN 397 CO 0.00 -2.15 0.00 0.47 -1.51 0.00 0.00 177.10 173.91 1rpk n ASP 398 N 12.55 -5.82 -3.67 -1.22 8.00 -1.26 -4.67 116.55 120.46 1rpk n ASP 398 Ca 0.31 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.67 1rpk n ASP 398 Cb 0.47 -4.84 -0.07 0.00 -0.02 0.00 0.00 41.12 36.66 1rpk n ASP 398 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1rpk s TYR 399 N -3.01 -0.33 -0.07 1.24 -0.85 -1.01 -1.32 117.35 112.00 1rpk s TYR 399 Ca 0.00 0.47 -0.23 0.00 -0.52 0.00 0.00 57.07 56.78 1rpk s TYR 399 Cb 0.00 0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.61 1rpk s TYR 399 CO 0.00 -0.50 0.53 0.00 -1.52 0.00 0.00 175.55 174.06 1rpk s ALA 400 N -1.66 -1.36 -0.01 9.51 0.00 -0.03 -1.00 121.76 127.20 1rpk s ALA 400 Ca -0.10 1.04 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1rpk s ALA 400 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1rpk s ALA 400 CO 0.04 -0.31 -0.15 0.08 0.00 0.00 0.00 175.76 175.42 1rpk s VAL 401 N -0.93 1.17 0.17 0.00 1.01 0.15 -0.51 120.40 121.45 1rpk s VAL 401 Ca -0.10 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.37 1rpk s VAL 401 Cb -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1rpk s VAL 401 CO 0.06 0.33 -0.25 0.26 0.00 0.00 0.00 175.10 175.51 1rpk s TRP 402 N -0.31 2.32 0.11 5.22 0.51 0.25 -1.01 118.94 126.02 1rpk s TRP 402 Ca 0.05 -0.36 0.03 0.00 -2.12 0.00 0.00 56.10 53.70 1rpk s TRP 402 Cb -0.06 -1.19 -0.04 0.00 -0.81 0.00 0.00 33.47 31.37 1rpk s TRP 402 CO -0.00 0.44 -0.09 -1.21 -0.51 0.00 0.00 176.95 175.58 1rpk s GLU 403 N -2.45 0.88 0.00 4.98 2.02 -0.34 -2.27 118.70 121.52 1rpk s GLU 403 Ca 0.18 -1.27 0.26 0.00 0.02 0.00 0.00 54.97 54.16 1rpk s GLU 403 Cb -0.09 -0.44 1.54 0.00 0.10 0.00 0.00 34.13 35.24 1rpk s GLU 403 CO 0.09 0.05 1.89 0.36 0.02 0.00 0.00 175.26 177.66