#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fee n ILE 2 N 0.00 0.01 -3.55 2.12 2.08 -1.26 -4.94 119.36 113.82 2fee n ILE 2 Ca 0.00 -0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.93 2fee n ILE 2 Cb 0.00 -0.44 -0.10 0.00 -0.75 0.00 0.00 39.64 38.35 2fee n ILE 2 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2fee s VAL 3 N 0.50 5.29 -0.13 1.39 1.01 -1.26 -4.79 120.40 122.41 2fee s VAL 3 Ca 0.89 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 2fee s VAL 3 Cb -1.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2fee s VAL 3 CO 0.54 0.26 0.04 -0.76 0.00 0.00 0.00 175.10 175.18 2fee s LEU 4 N 1.57 3.76 -0.05 3.92 1.43 -1.26 0.34 118.68 128.39 2fee s LEU 4 Ca 0.10 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2fee s LEU 4 Cb -0.15 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2fee s LEU 4 CO 0.08 0.29 -0.15 -0.89 0.23 0.00 0.00 176.35 175.92 2fee s THR 5 N -0.35 1.29 -0.15 5.49 2.01 0.34 -4.07 115.64 120.19 2fee s THR 5 Ca 0.08 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 2fee s THR 5 Cb -0.12 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2fee s THR 5 CO 0.02 0.38 0.01 -1.10 -0.69 0.00 0.00 174.62 173.24 2fee s GLN 6 N 0.21 3.65 0.00 4.92 -0.21 -1.26 0.00 119.66 126.98 2fee s GLN 6 Ca -0.07 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.88 2fee s GLN 6 Cb -0.12 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.89 2fee s GLN 6 CO 0.03 0.35 0.00 0.45 -2.12 0.00 0.00 175.29 173.99 2fee n SER 7 N 3.25 0.00 -4.75 5.90 2.88 0.34 -4.13 113.62 117.10 2fee n SER 7 Ca -0.17 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.96 2fee n SER 7 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2fee n SER 7 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2fee s PRO 8 N 0.00 4.59 0.32 -1.46 0.02 -1.26 -4.88 135.00 132.33 2fee s PRO 8 Ca 0.00 1.83 0.17 0.00 0.02 0.00 0.00 61.00 63.02 2fee s PRO 8 Cb 0.00 -3.20 0.33 0.00 0.02 0.00 0.00 34.50 31.64 2fee s PRO 8 CO 0.00 0.12 1.56 0.00 -0.33 0.00 0.00 177.00 178.35 2fee h ALA 9 N 4.23 0.79 -2.62 -1.55 0.00 -1.81 -3.39 119.26 114.92 2fee h ALA 9 Ca -0.46 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 53.89 2fee h ALA 9 Cb 1.21 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.63 2fee h ALA 9 CO 0.69 0.56 -0.45 0.42 0.00 0.00 0.00 179.25 180.47 2fee s ILE 10 N -3.21 -0.54 0.35 0.00 1.01 -1.26 -2.09 121.20 115.46 2fee s ILE 10 Ca 0.02 0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2fee s ILE 10 Cb 0.09 -0.58 -0.07 0.00 0.01 0.00 0.00 42.46 41.91 2fee s ILE 10 CO 0.72 0.07 -0.00 0.00 0.00 0.00 0.00 174.94 175.73 2fee s MET 11 N 2.52 1.77 -0.28 2.79 0.23 0.26 -4.91 119.30 121.69 2fee s MET 11 Ca 0.01 -1.97 0.00 0.00 -1.03 0.00 0.00 55.69 52.70 2fee s MET 11 Cb -0.12 -1.32 0.15 0.00 -1.53 0.00 0.00 34.83 32.01 2fee s MET 11 CO -0.11 -0.05 0.38 -1.12 -2.03 0.00 0.00 175.02 172.09 2fee s SER 12 N -3.58 0.59 0.25 -1.18 0.01 -1.26 -0.73 113.70 107.80 2fee s SER 12 Ca 0.34 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.35 2fee s SER 12 Cb 0.08 0.99 -0.05 0.00 0.21 0.00 0.00 66.02 67.24 2fee s SER 12 CO 0.16 -0.35 -0.05 0.00 0.41 0.00 0.00 173.24 173.42 2fee s ALA 13 N 2.51 2.10 -0.15 1.44 0.00 -1.07 -4.85 121.76 121.75 2fee s ALA 13 Ca 0.10 -1.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.16 2fee s ALA 13 Cb -0.13 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2fee s ALA 13 CO -0.27 -0.13 0.15 0.00 0.00 0.00 0.00 175.76 175.51 2fee s ALA 14 N -3.16 3.80 0.27 0.00 0.00 -1.26 -0.42 121.76 120.99 2fee s ALA 14 Ca 0.28 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 2fee s ALA 14 Cb 0.04 -2.06 -0.16 0.00 0.00 0.00 0.00 23.12 20.94 2fee s ALA 14 CO 0.10 0.44 0.50 -2.30 0.00 0.00 0.00 175.76 174.50 2fee n PRO 15 N 2.55 0.22 0.00 0.00 -0.02 -1.26 -1.29 135.00 135.21 2fee n PRO 15 Ca -0.18 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2fee n PRO 15 Cb 0.54 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 2fee n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fee n GLY 16 N 1.95 3.04 3.75 -1.23 0.00 -0.48 -4.93 105.19 107.29 2fee n GLY 16 Ca 0.15 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2fee n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fee s ASP 17 N 0.64 6.61 0.15 1.61 -0.00 -0.41 -4.22 116.67 121.05 2fee s ASP 17 Ca 0.00 2.71 -0.30 0.00 -0.00 0.00 0.00 52.55 54.96 2fee s ASP 17 Cb 0.00 -2.62 -0.07 0.00 -0.00 0.00 0.00 42.92 40.22 2fee s ASP 17 CO 0.00 -0.74 1.19 -0.75 -0.00 0.00 0.00 175.17 174.87 2fee s LYS 18 N -0.38 4.48 0.01 8.23 2.20 -1.26 -0.67 119.74 132.36 2fee s LYS 18 Ca 0.60 1.84 0.04 0.00 -0.36 0.00 0.00 55.97 58.09 2fee s LYS 18 Cb -0.43 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2fee s LYS 18 CO 0.44 -0.12 -0.13 0.08 -0.36 0.00 0.00 175.35 175.26 2fee s VAL 19 N 0.21 1.05 -0.01 4.02 1.01 -0.41 -4.95 120.40 121.32 2fee s VAL 19 Ca 0.54 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2fee s VAL 19 Cb -0.32 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.16 2fee s VAL 19 CO 0.35 0.17 -0.03 -0.89 0.00 0.00 0.00 175.10 174.70 2fee s THR 20 N -0.52 0.30 0.36 3.92 2.01 -1.26 -0.07 115.64 120.38 2fee s THR 20 Ca 0.04 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.96 2fee s THR 20 Cb -0.06 -0.30 -0.06 0.00 0.01 0.00 0.00 72.50 72.10 2fee s THR 20 CO 0.00 0.11 0.06 0.00 -0.69 0.00 0.00 174.62 174.10 2fee s MET 21 N 0.23 1.78 0.00 4.92 0.23 -0.49 -4.94 119.30 121.03 2fee s MET 21 Ca -0.02 -2.02 -0.00 0.00 -1.03 0.00 0.00 55.69 52.62 2fee s MET 21 Cb -0.05 -1.01 -0.00 0.00 -1.53 0.00 0.00 34.83 32.23 2fee s MET 21 CO -0.00 -0.22 0.00 0.99 -2.03 0.00 0.00 175.02 173.76 2fee s THR 22 N -3.15 0.01 -0.34 3.16 2.01 -1.26 -2.13 115.64 113.94 2fee s THR 22 Ca 0.32 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.24 2fee s THR 22 Cb 0.08 -0.05 0.10 0.00 0.01 0.00 0.00 72.50 72.63 2fee s THR 22 CO 0.15 -0.06 0.05 0.00 -0.69 0.00 0.00 174.62 174.06 2fee s SER 24 N 1.00 6.62 0.07 0.00 0.01 0.10 0.10 113.70 121.60 2fee s SER 24 Ca 0.09 0.74 0.08 0.00 1.31 0.00 0.00 55.95 58.17 2fee s SER 24 Cb -0.19 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2fee s SER 24 CO -0.07 0.31 -0.21 0.00 0.41 0.00 0.00 173.24 173.68 2fee s ALA 25 N -0.80 1.80 0.14 1.44 0.00 0.40 0.13 121.76 124.86 2fee s ALA 25 Ca 0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2fee s ALA 25 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2fee s ALA 25 CO 0.09 0.39 1.59 0.66 0.00 0.00 0.00 175.76 178.49 2fee h SER 26 N 4.57 0.81 -2.93 0.00 4.64 -0.42 -3.44 113.55 116.77 2fee h SER 26 Ca -0.44 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2fee h SER 26 Cb 1.17 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2fee h SER 26 CO 0.42 0.93 0.00 -1.20 -0.87 0.00 0.00 176.83 176.11 2fee n SER 27 N -4.36 1.01 -4.72 4.97 7.64 -1.26 -4.96 113.62 111.95 2fee n SER 27 Ca 0.00 -0.72 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 2fee n SER 27 Cb 0.31 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 2fee n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2fee s SER 28 N -0.71 7.39 0.06 6.43 0.15 -1.26 -4.55 113.70 121.20 2fee s SER 28 Ca 0.00 1.76 0.05 0.00 0.70 0.00 0.00 55.95 58.46 2fee s SER 28 Cb 0.00 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2fee s SER 28 CO 0.00 -0.20 -0.13 0.68 1.20 0.00 0.00 173.24 174.79 2fee s VAL 29 N 0.56 1.02 0.08 4.45 -7.23 -0.92 -4.95 120.40 113.41 2fee s VAL 29 Ca 0.50 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 2fee s VAL 29 Cb -0.23 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2fee s VAL 29 CO 0.29 -0.16 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.84 2fee s SER 30 N -1.48 1.74 -0.56 4.85 1.04 -1.26 -3.78 113.70 114.24 2fee s SER 30 Ca -0.02 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.60 2fee s SER 30 Cb -0.09 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.00 2fee s SER 30 CO 0.02 -0.10 0.64 -1.22 0.98 0.00 0.00 173.24 173.55 2fee n TYR 31 N 1.07 -3.04 -3.36 5.02 0.53 -1.26 -4.49 117.16 111.63 2fee n TYR 31 Ca -0.20 1.22 -0.25 0.00 -1.02 0.00 0.00 57.90 57.66 2fee n TYR 31 Cb 0.55 -3.49 -0.01 0.00 -1.03 0.00 0.00 39.34 35.35 2fee n TYR 31 CO 0.00 0.00 0.00 0.96 -1.02 0.00 0.00 176.86 176.80 2fee s ILE 32 N -2.53 5.10 0.25 -0.72 -4.36 -1.26 -4.52 121.20 113.15 2fee s ILE 32 Ca 0.18 -0.39 0.11 0.00 -0.26 0.00 0.00 60.65 60.29 2fee s ILE 32 Cb -0.04 -3.85 -0.05 0.00 1.25 0.00 0.00 42.46 39.78 2fee s ILE 32 CO 0.80 -0.53 -0.13 -1.00 0.24 0.00 0.00 174.94 174.32 2fee s HIS 33 N -2.29 2.46 0.03 1.37 3.76 0.04 0.12 115.29 120.78 2fee s HIS 33 Ca 0.40 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.08 2fee s HIS 33 Cb -0.10 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 2fee s HIS 33 CO 0.35 0.64 -0.15 -1.58 -0.85 0.00 0.00 174.74 173.15 2fee s TRP 34 N -2.24 1.35 -0.03 1.40 0.52 0.14 -0.37 118.94 119.70 2fee s TRP 34 Ca 0.29 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.12 2fee s TRP 34 Cb -0.06 -0.81 -0.01 0.00 -1.15 0.00 0.00 33.47 31.44 2fee s TRP 34 CO 0.16 0.04 -0.20 0.71 0.02 0.00 0.00 176.95 177.68 2fee s TYR 35 N -0.77 1.84 -0.26 -1.98 1.51 0.22 -0.23 117.35 117.67 2fee s TYR 35 Ca 0.03 -0.45 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 2fee s TYR 35 Cb -0.08 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 2fee s TYR 35 CO 0.01 -0.11 0.14 -1.14 -1.11 0.00 0.00 175.55 173.35 2fee s GLN 36 N -0.23 3.85 -0.42 -0.62 0.74 -0.73 -0.98 119.66 121.27 2fee s GLN 36 Ca 0.02 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.07 2fee s GLN 36 Cb -0.10 -3.52 0.11 0.00 1.10 0.00 0.00 33.01 30.60 2fee s GLN 36 CO 0.01 -0.16 0.16 -1.14 -0.55 0.00 0.00 175.29 173.61 2fee s GLN 37 N 1.65 1.79 1.00 1.67 0.74 -0.14 -0.92 119.66 125.45 2fee s GLN 37 Ca 0.07 -2.08 -0.13 0.00 0.05 0.00 0.00 55.36 53.27 2fee s GLN 37 Cb -0.15 -3.36 0.19 0.00 1.10 0.00 0.00 33.01 30.78 2fee s GLN 37 CO 0.08 -1.02 1.12 0.15 -0.55 0.00 0.00 175.29 175.06 2fee s LYS 38 N 0.63 0.42 -0.02 1.67 1.02 -1.26 -2.39 119.74 119.80 2fee s LYS 38 Ca 0.12 0.30 -0.33 0.00 0.02 0.00 0.00 55.97 56.09 2fee s LYS 38 Cb -0.21 -1.75 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 2fee s LYS 38 CO -0.05 -2.69 1.89 0.43 -0.92 0.00 0.00 175.35 174.01 2fee n SER 39 N -4.11 3.68 -3.48 2.83 7.64 -1.26 -2.61 113.62 116.31 2fee n SER 39 Ca 0.07 0.96 -0.26 0.00 1.01 0.00 0.00 58.87 60.65 2fee n SER 39 Cb 0.58 -1.43 0.02 0.00 -1.01 0.00 0.00 64.21 62.37 2fee n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fee n GLY 40 N 4.38 -0.50 3.42 0.23 0.00 -1.26 -4.98 105.19 106.48 2fee n GLY 40 Ca 0.21 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 2fee n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2fee s THR 41 N -3.15 1.75 0.63 2.61 -1.32 -1.07 -5.16 115.64 109.93 2fee s THR 41 Ca 0.48 -2.17 -0.10 0.00 -1.21 0.00 0.00 61.69 58.69 2fee s THR 41 Cb -0.24 -2.36 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 2fee s THR 41 CO 0.60 -0.37 1.02 -0.44 -2.21 0.00 0.00 174.62 173.22 2fee s SER 42 N -3.43 5.92 0.59 8.08 0.01 -1.26 -4.63 113.70 118.98 2fee s SER 42 Ca 0.28 1.22 -0.20 0.00 1.31 0.00 0.00 55.95 58.56 2fee s SER 42 Cb 0.02 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2fee s SER 42 CO 0.11 -1.02 1.22 -2.65 0.41 0.00 0.00 173.24 171.32 2fee n PRO 43 N -2.78 1.30 -4.01 12.44 -0.02 -1.26 -4.61 135.00 136.06 2fee n PRO 43 Ca 0.06 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 2fee n PRO 43 Cb 0.55 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 2fee n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2fee s LYS 44 N -2.95 2.21 -0.29 -0.52 1.02 -0.09 -4.94 119.74 114.17 2fee s LYS 44 Ca 0.76 -0.63 -0.38 0.00 0.02 0.00 0.00 55.97 55.74 2fee s LYS 44 Cb -0.41 -2.18 -0.14 0.00 -0.52 0.00 0.00 37.83 34.58 2fee s LYS 44 CO 0.46 -0.29 1.96 -2.13 -0.92 0.00 0.00 175.35 174.43 2fee n ARG 45 N 4.75 1.22 -0.02 1.68 0.63 -1.26 -1.77 116.66 121.88 2fee n ARG 45 Ca -0.16 0.41 -0.03 0.00 -0.92 0.00 0.00 57.85 57.15 2fee n ARG 45 Cb 0.49 -2.29 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 2fee n ARG 45 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2fee n TRP 46 N 7.43 0.00 -5.05 -0.14 -0.00 0.68 -4.69 117.44 115.66 2fee n TRP 46 Ca 0.33 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.51 2fee n TRP 46 Cb 0.18 -0.16 -0.15 0.00 -0.00 0.00 0.00 31.31 31.18 2fee n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2fee s ILE 47 N -1.69 2.53 0.15 5.87 1.01 -1.11 -1.25 121.20 126.71 2fee s ILE 47 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.73 2fee s ILE 47 Cb 0.01 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2fee s ILE 47 CO 0.14 0.56 -0.13 -0.72 0.00 0.00 0.00 174.94 174.79 2fee s TYR 48 N -0.09 1.44 -1.21 3.97 -0.85 0.73 0.25 117.35 121.59 2fee s TYR 48 Ca -0.04 -0.62 -0.23 0.00 -0.52 0.00 0.00 57.07 55.66 2fee s TYR 48 Cb -0.14 -0.72 0.01 0.00 0.38 0.00 0.00 41.96 41.49 2fee s TYR 48 CO 0.04 0.18 0.69 -0.25 -1.52 0.00 0.00 175.55 174.69 2fee n ASP 49 N 0.06 -4.14 0.00 -0.18 8.00 -1.18 -0.66 116.55 118.46 2fee n ASP 49 Ca -0.12 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2fee n ASP 49 Cb 0.59 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 2fee n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2fee n THR 50 N -4.52 0.00 -1.32 -3.53 -1.04 0.33 -3.78 114.28 100.42 2fee n THR 50 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2fee n THR 50 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2fee n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2fee n SER 51 N 1.12 0.00 -4.81 8.00 3.41 -1.17 -3.43 113.62 116.75 2fee n SER 51 Ca 0.00 -1.00 -0.37 0.00 -0.26 0.00 0.00 58.87 57.24 2fee n SER 51 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2fee n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fee s LYS 52 N 0.00 4.29 -0.11 4.33 1.02 0.17 -4.54 119.74 124.90 2fee s LYS 52 Ca 0.00 0.87 -0.16 0.00 0.02 0.00 0.00 55.97 56.70 2fee s LYS 52 Cb 0.00 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 2fee s LYS 52 CO 0.00 0.50 0.40 -0.51 -0.92 0.00 0.00 175.35 174.82 2fee s LEU 53 N -1.59 4.31 0.88 3.17 1.43 -1.26 -0.19 118.68 125.43 2fee s LEU 53 Ca 0.38 0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 54.08 2fee s LEU 53 Cb -0.19 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2fee s LEU 53 CO 0.22 0.10 0.47 0.41 0.23 0.00 0.00 176.35 177.78 2fee n THR 54 N 3.24 0.57 -2.36 5.49 -1.04 -0.38 -4.89 114.28 114.91 2fee n THR 54 Ca -0.10 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 2fee n THR 54 Cb 0.52 -0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 2fee n THR 54 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2fee s SER 55 N -1.87 7.01 0.00 8.00 0.15 -1.26 -2.57 113.70 123.15 2fee s SER 55 Ca 0.60 2.06 0.00 0.00 0.70 0.00 0.00 55.95 59.31 2fee s SER 55 Cb -0.25 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2fee s SER 55 CO 0.64 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2fee n GLY 56 N 3.32 0.43 3.67 9.45 0.00 -1.26 -5.04 105.19 115.76 2fee n GLY 56 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2fee n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fee s VAL 57 N -2.16 4.28 0.49 1.61 1.01 -1.06 -4.99 120.40 119.59 2fee s VAL 57 Ca 0.00 1.57 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 2fee s VAL 57 Cb 0.00 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 2fee s VAL 57 CO 0.00 -0.09 0.54 -0.81 0.00 0.00 0.00 175.10 174.74 2fee n PRO 58 N 6.12 0.58 0.00 2.72 -0.04 -1.26 -4.85 135.00 138.27 2fee n PRO 58 Ca 0.13 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2fee n PRO 58 Cb 0.45 -1.61 0.63 0.00 -0.04 0.00 0.00 33.50 32.93 2fee n PRO 58 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2fee n VAL 59 N -1.25 0.19 0.33 0.52 0.24 -1.26 -2.62 118.33 114.48 2fee n VAL 59 Ca 0.11 0.05 0.21 0.00 -2.04 0.00 0.00 64.34 62.67 2fee n VAL 59 Cb 0.44 -0.66 1.13 0.00 -1.47 0.00 0.00 33.84 33.28 2fee n VAL 59 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2fee h ARG 60 N 0.00 0.00 -6.14 7.34 0.11 -1.89 -3.42 114.38 110.39 2fee h ARG 60 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2fee h ARG 60 Cb 0.17 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.20 2fee h ARG 60 CO 0.00 0.00 -0.07 -0.06 0.10 0.00 0.00 179.97 179.94 2fee s PHE 61 N -4.24 3.76 0.08 4.08 0.40 -1.08 -0.61 117.98 120.37 2fee s PHE 61 Ca -0.05 1.18 -0.03 0.00 -0.60 0.00 0.00 56.93 57.44 2fee s PHE 61 Cb 0.13 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 2fee s PHE 61 CO 0.43 0.54 0.05 -1.54 0.70 0.00 0.00 175.22 175.39 2fee s SER 62 N -0.86 0.36 0.03 1.36 1.04 0.31 -4.99 113.70 110.95 2fee s SER 62 Ca 0.28 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.77 2fee s SER 62 Cb -0.18 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 2fee s SER 62 CO 0.17 -0.67 -0.07 -0.83 0.98 0.00 0.00 173.24 172.83 2fee s GLY 63 N -2.93 0.43 0.29 7.32 0.00 -1.26 -0.86 107.32 110.30 2fee s GLY 63 Ca 0.10 -0.62 -0.10 0.00 0.00 0.00 0.00 44.72 44.10 2fee s GLY 63 CO -0.08 -0.66 0.55 -1.14 0.00 0.00 0.00 173.10 171.78 2fee n SER 64 N 1.84 -1.60 0.00 1.64 3.41 -0.85 -4.47 113.62 113.59 2fee n SER 64 Ca -0.20 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 2fee n SER 64 Cb 0.56 2.69 0.00 0.00 -0.26 0.00 0.00 64.21 67.19 2fee n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fee n GLY 65 N -0.40 0.76 0.00 5.00 0.00 -1.26 -0.80 105.19 108.48 2fee n GLY 65 Ca -0.06 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2fee n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2fee n SER 66 N 0.99 0.00 0.00 1.61 3.41 -0.74 -4.97 113.62 113.92 2fee n SER 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2fee n SER 66 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2fee n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fee n GLY 67 N -0.34 3.04 0.00 5.00 0.00 -1.25 -2.84 105.19 108.81 2fee n GLY 67 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2fee n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fee n THR 68 N 0.00 0.00 -5.16 2.61 -2.24 -1.26 -2.16 114.28 106.07 2fee n THR 68 Ca 0.00 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.20 2fee n THR 68 Cb 0.00 0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.55 2fee n THR 68 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2fee s SER 69 N -3.65 2.97 0.12 3.42 1.04 -1.13 0.15 113.70 116.62 2fee s SER 69 Ca -0.01 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.93 2fee s SER 69 Cb 0.14 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.86 2fee s SER 69 CO 0.83 0.15 -0.11 -0.31 0.98 0.00 0.00 173.24 174.77 2fee s TYR 70 N 0.38 1.22 0.08 5.02 1.51 0.11 -1.80 117.35 123.87 2fee s TYR 70 Ca -0.18 -0.65 -0.00 0.00 -1.01 0.00 0.00 57.07 55.22 2fee s TYR 70 Cb -0.18 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 2fee s TYR 70 CO 0.08 0.07 -0.02 -1.54 -1.11 0.00 0.00 175.55 173.03 2fee s SER 71 N -2.63 0.60 -0.04 2.29 1.04 0.02 0.94 113.70 115.92 2fee s SER 71 Ca 0.09 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.49 2fee s SER 71 Cb -0.02 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2fee s SER 71 CO 0.01 -0.60 -0.07 -0.22 0.98 0.00 0.00 173.24 173.34 2fee s LEU 72 N -2.98 1.58 0.03 2.42 0.20 -0.91 -2.00 118.68 117.04 2fee s LEU 72 Ca 0.12 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.81 2fee s LEU 72 Cb 0.07 -0.54 -0.02 0.00 -0.43 0.00 0.00 46.19 45.27 2fee s LEU 72 CO -0.06 0.01 -0.15 -0.89 -0.29 0.00 0.00 176.35 174.97 2fee s THR 73 N 0.55 1.21 -0.23 3.68 2.01 -0.04 -1.40 115.64 121.42 2fee s THR 73 Ca -0.09 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 60.94 2fee s THR 73 Cb -0.12 -1.07 0.06 0.00 0.01 0.00 0.00 72.50 71.37 2fee s THR 73 CO 0.01 0.08 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.32 2fee s ILE 74 N -0.78 1.60 -0.45 1.82 1.01 0.89 -0.53 121.20 124.76 2fee s ILE 74 Ca 0.03 -1.21 -0.23 0.00 0.00 0.00 0.00 60.65 59.24 2fee s ILE 74 Cb -0.08 -1.82 0.03 0.00 0.01 0.00 0.00 42.46 40.60 2fee s ILE 74 CO 0.01 -0.04 0.78 0.21 0.00 0.00 0.00 174.94 175.89 2fee s ASN 75 N 1.37 6.40 -0.32 3.58 2.47 0.22 -1.29 114.94 127.37 2fee s ASN 75 Ca -0.05 -0.15 -0.01 0.00 0.42 0.00 0.00 52.86 53.07 2fee s ASN 75 Cb -0.18 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2fee s ASN 75 CO -0.06 -0.91 0.05 0.41 -3.72 0.00 0.00 177.10 172.87 2fee n THR 76 N 6.11-11.97 -1.85 -5.21 -1.04 -1.24 -4.79 114.28 94.30 2fee n THR 76 Ca 0.02 1.77 -0.35 0.00 -2.04 0.00 0.00 64.05 63.45 2fee n THR 76 Cb 0.48 -6.96 0.05 0.00 -1.82 0.00 0.00 70.33 62.08 2fee n THR 76 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2fee s MET 77 N -1.72 2.74 0.16 -2.82 1.75 0.16 -4.70 119.30 114.87 2fee s MET 77 Ca 0.02 1.81 0.07 0.00 -1.25 0.00 0.00 55.69 56.34 2fee s MET 77 Cb -0.01 -1.90 -0.04 0.00 2.84 0.00 0.00 34.83 35.72 2fee s MET 77 CO 0.78 -1.38 -0.15 -1.21 -0.65 0.00 0.00 175.02 172.41 2fee s GLU 78 N -3.51 1.19 0.44 4.11 0.41 -1.26 -1.38 118.70 118.70 2fee s GLU 78 Ca 0.77 -1.41 0.16 0.00 -0.41 0.00 0.00 54.97 54.07 2fee s GLU 78 Cb -0.30 -1.08 0.98 0.00 -1.78 0.00 0.00 34.13 31.95 2fee s GLU 78 CO 0.37 0.20 1.95 0.00 -0.49 0.00 0.00 175.26 177.29 2fee h ALA 79 N 3.10 1.55 0.00 5.21 0.00 -1.93 0.14 119.26 127.33 2fee h ALA 79 Ca -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2fee h ALA 79 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2fee h ALA 79 CO 0.55 0.29 0.00 -0.85 0.00 0.00 0.00 179.25 179.24 2fee n GLU 80 N -4.15 0.76 0.00 0.00 0.28 -1.20 -3.01 120.64 113.32 2fee n GLU 80 Ca -0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.07 2fee n GLU 80 Cb 0.29 -1.35 0.08 0.00 1.43 0.00 0.00 31.44 31.89 2fee n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2fee n ASP 81 N 0.18 2.57 -4.61 -1.84 10.43 0.50 -4.91 116.55 118.88 2fee n ASP 81 Ca 0.00 -1.79 -0.43 0.00 2.57 0.00 0.00 54.79 55.15 2fee n ASP 81 Cb 0.21 0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.15 2fee n ASP 81 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fee s ALA 82 N -1.59 2.85 0.16 2.24 0.00 -1.16 -4.87 121.76 119.38 2fee s ALA 82 Ca 0.22 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 2fee s ALA 82 Cb 0.16 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 19.25 2fee s ALA 82 CO 0.24 -2.62 0.24 0.00 0.00 0.00 0.00 175.76 173.61 2fee n ALA 83 N 10.89 -0.24 -2.77 0.00 0.00 -1.21 -4.66 120.51 122.52 2fee n ALA 83 Ca 0.27 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 2fee n ALA 83 Cb 0.45 0.56 -0.09 0.00 0.00 0.00 0.00 19.45 20.37 2fee n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2fee s THR 84 N -2.60 4.53 -0.18 0.00 2.01 -1.01 -0.39 115.64 118.01 2fee s THR 84 Ca 0.12 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 2fee s THR 84 Cb -0.01 -2.95 -0.00 0.00 0.01 0.00 0.00 72.50 69.55 2fee s THR 84 CO 0.09 0.56 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.14 2fee s TYR 85 N -0.48 2.84 -0.04 4.92 1.51 -0.38 -0.96 117.35 124.75 2fee s TYR 85 Ca 0.09 -1.08 -0.03 0.00 -1.01 0.00 0.00 57.07 55.04 2fee s TYR 85 Cb -0.12 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2fee s TYR 85 CO 0.02 -0.53 0.15 0.71 -1.11 0.00 0.00 175.55 174.80 2fee s TYR 86 N 1.04 3.51 0.23 2.71 1.51 -0.16 -2.05 117.35 124.14 2fee s TYR 86 Ca -0.01 0.37 0.06 0.00 -1.01 0.00 0.00 57.07 56.48 2fee s TYR 86 Cb -0.15 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2fee s TYR 86 CO -0.03 0.65 0.21 0.00 -1.11 0.00 0.00 175.55 175.27 2fee s GLN 88 N -3.72 0.51 0.23 0.00 -0.44 0.50 0.90 119.66 117.65 2fee s GLN 88 Ca 0.33 0.71 0.10 0.00 -2.50 0.00 0.00 55.36 53.99 2fee s GLN 88 Cb -0.08 0.18 -0.04 0.00 -1.64 0.00 0.00 33.01 31.43 2fee s GLN 88 CO 0.25 -0.09 -0.09 1.14 0.50 0.00 0.00 175.29 177.00 2fee s GLN 89 N 0.60 2.04 -0.33 1.67 1.03 -0.54 -0.78 119.66 123.36 2fee s GLN 89 Ca -0.03 -1.42 0.15 0.00 0.04 0.00 0.00 55.36 54.10 2fee s GLN 89 Cb -0.05 -2.07 0.43 0.00 0.03 0.00 0.00 33.01 31.35 2fee s GLN 89 CO -0.04 0.39 1.42 1.87 -2.54 0.00 0.00 175.29 176.40 2fee n TRP 90 N -0.37 -1.28 0.14 9.60 -0.00 -1.26 -2.00 117.44 122.26 2fee n TRP 90 Ca -0.08 -1.86 0.12 0.00 -0.00 0.00 0.00 57.50 55.67 2fee n TRP 90 Cb 0.57 1.12 0.05 0.00 -0.00 0.00 0.00 31.31 33.05 2fee n TRP 90 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2fee h SER 91 N 1.49 0.00 -4.11 5.87 4.64 -1.88 -3.46 113.55 116.11 2fee h SER 91 Ca -0.36 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.55 2fee h SER 91 Cb 1.29 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.10 2fee h SER 91 CO -0.08 0.00 -0.78 -0.44 -0.87 0.00 0.00 176.83 174.66 2fee s SER 92 N -5.60 1.19 0.33 4.97 0.01 -1.26 -4.99 113.70 108.35 2fee s SER 92 Ca 0.02 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 2fee s SER 92 Cb 0.08 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 2fee s SER 92 CO 0.76 0.10 0.69 -2.28 0.41 0.00 0.00 173.24 172.92 2fee s HIS 93 N -0.32 3.44 0.77 2.43 2.46 -1.26 -3.40 115.29 119.41 2fee s HIS 93 Ca 0.03 1.00 -0.11 0.00 0.47 0.00 0.00 55.06 56.45 2fee s HIS 93 Cb -0.04 -2.38 0.06 0.00 -0.13 0.00 0.00 32.58 30.08 2fee s HIS 93 CO -0.00 0.06 1.09 -1.25 -2.47 0.00 0.00 174.74 172.16 2fee s PRO 94 N -3.39 2.26 1.04 2.88 0.04 -1.26 -4.58 135.00 131.99 2fee s PRO 94 Ca 0.50 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2fee s PRO 94 Cb -0.10 -1.90 0.21 0.00 0.04 0.00 0.00 34.50 32.74 2fee s PRO 94 CO 0.26 -1.63 1.02 0.00 0.04 0.00 0.00 177.00 176.68 2fee n GLN 95 N -3.51 -1.39 -3.70 4.56 0.00 -1.22 -4.71 117.38 107.41 2fee n GLN 95 Ca 0.09 -0.36 -0.14 0.00 0.00 0.00 0.00 57.00 56.59 2fee n GLN 95 Cb 0.53 -2.24 -0.08 0.00 0.00 0.00 0.00 30.24 28.45 2fee n GLN 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2fee s THR 96 N -2.51 0.03 0.18 -0.39 -4.23 -0.85 -4.99 115.64 102.87 2fee s THR 96 Ca 0.67 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 2fee s THR 96 Cb -0.24 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 2fee s THR 96 CO 0.62 -0.14 0.13 -0.36 -0.54 0.00 0.00 174.62 174.34 2fee s PHE 97 N -0.87 3.12 0.95 3.99 0.08 -1.26 -1.46 117.98 122.52 2fee s PHE 97 Ca -0.09 -0.04 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 2fee s PHE 97 Cb -0.04 -1.49 0.17 0.00 -0.57 0.00 0.00 43.02 41.09 2fee s PHE 97 CO 0.04 0.52 1.21 0.20 -0.10 0.00 0.00 175.22 177.09 2fee s GLY 98 N -3.18 1.65 0.39 4.36 0.00 0.26 -4.55 107.32 106.24 2fee s GLY 98 Ca 0.31 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.39 2fee s GLY 98 CO 0.23 -0.19 1.69 -1.33 0.00 0.00 0.00 173.10 173.51 2fee h GLY 99 N -1.60 0.00 0.00 0.20 0.00 -1.89 -3.44 103.07 96.34 2fee h GLY 99 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2fee h GLY 99 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 2fee n GLY 100 N 0.54 2.10 2.98 4.60 0.00 -1.26 -5.02 105.19 109.14 2fee n GLY 100 Ca 0.01 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2fee n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fee s THR 101 N -1.20 1.72 -0.53 2.61 2.01 -0.87 -4.56 115.64 114.82 2fee s THR 101 Ca 0.00 -1.32 -0.24 0.00 0.31 0.00 0.00 61.69 60.44 2fee s THR 101 Cb 0.00 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.62 2fee s THR 101 CO 0.00 -0.06 0.91 -0.75 -0.69 0.00 0.00 174.62 174.03 2fee s LYS 102 N 1.31 3.35 -0.09 4.92 2.20 -0.89 -1.25 119.74 129.29 2fee s LYS 102 Ca -0.06 -0.23 -0.23 0.00 -0.36 0.00 0.00 55.97 55.09 2fee s LYS 102 Cb -0.19 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 2fee s LYS 102 CO -0.06 -1.41 0.68 -1.17 -0.36 0.00 0.00 175.35 173.03 2fee s LEU 103 N 3.79 4.29 0.03 5.43 2.96 0.48 -0.57 118.68 135.10 2fee s LEU 103 Ca 0.30 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.40 2fee s LEU 103 Cb -0.13 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2fee s LEU 103 CO 0.20 -0.13 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.28 2fee s GLU 104 N 0.94 1.46 -0.16 1.98 2.02 0.09 -3.32 118.70 121.70 2fee s GLU 104 Ca 0.36 -0.91 -0.09 0.00 0.02 0.00 0.00 54.97 54.35 2fee s GLU 104 Cb -0.17 -1.54 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 2fee s GLU 104 CO 0.16 0.40 0.14 0.42 0.02 0.00 0.00 175.26 176.40 2fee s ILE 105 N -0.74 5.44 -0.26 -1.63 -1.09 -1.26 -2.60 121.20 119.07 2fee s ILE 105 Ca 0.08 0.22 -0.18 0.00 -2.23 0.00 0.00 60.65 58.53 2fee s ILE 105 Cb -0.09 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2fee s ILE 105 CO 0.01 0.51 0.53 -0.76 -1.23 0.00 0.00 174.94 174.00 2fee s LEU 106 N -0.21 4.06 0.37 2.97 1.43 0.44 -4.92 118.68 122.81 2fee s LEU 106 Ca 0.11 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 2fee s LEU 106 Cb -0.12 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2fee s LEU 106 CO 0.01 -0.29 0.13 0.00 0.23 0.00 0.00 176.35 176.43 2fee s ARG 107 N 2.28 1.80 1.18 1.70 1.70 -1.26 -4.15 118.95 122.20 2fee s ARG 107 Ca 0.22 -2.06 -0.20 0.00 -0.47 0.00 0.00 55.73 53.22 2fee s ARG 107 Cb -0.16 -0.48 0.30 0.00 -0.57 0.00 0.00 34.95 34.04 2fee s ARG 107 CO 0.09 -0.44 0.96 0.00 -1.08 0.00 0.00 175.30 174.84 2fee n ALA 108 N -0.78 -3.52 -1.71 7.88 0.00 -1.26 -4.96 120.51 116.16 2fee n ALA 108 Ca -0.03 -1.48 -0.32 0.00 0.00 0.00 0.00 53.44 51.60 2fee n ALA 108 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2fee n ALA 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fee s ASP 109 N -3.96 5.97 -0.24 0.00 1.01 -1.26 -4.76 116.67 113.42 2fee s ASP 109 Ca 0.65 1.74 -0.03 0.00 0.71 0.00 0.00 52.55 55.62 2fee s ASP 109 Cb -0.07 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.47 2fee s ASP 109 CO 0.50 -1.04 0.41 0.00 0.21 0.00 0.00 175.17 175.25 2fee s ALA 110 N -2.54 -1.22 0.23 5.23 0.00 -0.23 -4.83 121.76 118.40 2fee s ALA 110 Ca 0.62 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 2fee s ALA 110 Cb -0.14 -1.68 -0.10 0.00 0.00 0.00 0.00 23.12 21.19 2fee s ALA 110 CO 0.37 -1.20 1.52 0.00 0.00 0.00 0.00 175.76 176.44 2fee s ALA 111 N 2.59 3.71 0.32 0.00 0.00 -1.26 -0.56 121.76 126.55 2fee s ALA 111 Ca 0.12 1.40 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 2fee s ALA 111 Cb -0.15 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 2fee s ALA 111 CO -0.16 -0.81 1.14 -1.25 0.00 0.00 0.00 175.76 174.68 2fee s PRO 112 N 0.07 4.46 -0.48 0.00 0.04 -1.26 -4.59 135.00 133.23 2fee s PRO 112 Ca 0.64 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 2fee s PRO 112 Cb -0.44 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.14 2fee s PRO 112 CO 0.41 0.03 0.46 0.99 0.04 0.00 0.00 177.00 178.92 2fee s THR 113 N -1.24 5.15 0.01 1.26 2.01 -0.45 -4.83 115.64 117.54 2fee s THR 113 Ca 0.48 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 2fee s THR 113 Cb -0.32 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 2fee s THR 113 CO 0.41 -0.65 0.72 -0.69 -0.69 0.00 0.00 174.62 173.73 2fee s VAL 114 N 1.88 4.85 -0.04 3.82 1.01 -1.25 -2.08 120.40 128.59 2fee s VAL 114 Ca 0.07 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 2fee s VAL 114 Cb -0.23 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.11 2fee s VAL 114 CO 0.08 0.34 0.01 -0.44 0.00 0.00 0.00 175.10 175.09 2fee s SER 115 N 0.16 0.85 -0.04 3.32 0.01 0.23 -4.97 113.70 113.26 2fee s SER 115 Ca 0.37 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.60 2fee s SER 115 Cb -0.19 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2fee s SER 115 CO 0.21 -0.15 0.07 -0.51 0.41 0.00 0.00 173.24 173.27 2fee s ILE 116 N 1.49 4.76 -0.20 1.44 1.10 -1.26 -0.44 121.20 128.10 2fee s ILE 116 Ca -0.03 -0.28 -0.05 0.00 -0.51 0.00 0.00 60.65 59.78 2fee s ILE 116 Cb -0.13 -3.13 0.07 0.00 0.15 0.00 0.00 42.46 39.42 2fee s ILE 116 CO -0.03 0.44 0.10 -0.36 -2.11 0.00 0.00 174.94 172.98 2fee s PHE 117 N -1.11 0.25 0.31 3.50 0.40 0.58 -4.98 117.98 116.93 2fee s PHE 117 Ca 0.20 -0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 55.77 2fee s PHE 117 Cb -0.12 -0.75 -0.10 0.00 0.51 0.00 0.00 43.02 42.56 2fee s PHE 117 CO 0.10 -0.59 1.30 -2.14 0.70 0.00 0.00 175.22 174.59 2fee s PRO 118 N 2.12 4.38 -0.38 0.24 0.02 -1.26 -2.14 135.00 137.97 2fee s PRO 118 Ca 0.04 2.17 -0.39 0.00 0.02 0.00 0.00 61.00 62.84 2fee s PRO 118 Cb -0.16 -3.10 -0.14 0.00 0.02 0.00 0.00 34.50 31.12 2fee s PRO 118 CO -0.15 -0.18 2.10 -2.30 -0.33 0.00 0.00 177.00 176.14 2fee n PRO 119 N 1.14 0.78 -1.30 5.54 -0.02 -1.26 -4.87 135.00 135.01 2fee n PRO 119 Ca 0.01 0.23 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 2fee n PRO 119 Cb 0.42 -2.13 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2fee n PRO 119 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2fee n SER 120 N 8.46 -2.00 0.11 2.55 3.41 -1.26 -4.74 113.62 120.16 2fee n SER 120 Ca 0.43 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.67 2fee n SER 120 Cb 0.14 -1.10 0.35 0.00 -0.26 0.00 0.00 64.21 63.34 2fee n SER 120 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fee h SER 121 N -0.17 0.22 1.07 4.04 4.64 -2.01 -1.37 113.55 119.99 2fee h SER 121 Ca -0.44 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 2fee h SER 121 Cb 1.38 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2fee h SER 121 CO 0.42 0.44 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.25 2fee h GLU 122 N 0.21 0.00 0.00 4.77 3.07 -1.98 -2.59 114.58 118.06 2fee h GLU 122 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2fee h GLU 122 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2fee h GLU 122 CO 0.03 0.25 0.00 0.37 -1.40 0.00 0.00 179.01 178.26 2fee h GLN 123 N 0.00 0.00 0.06 2.33 4.15 -1.59 -2.80 115.11 117.26 2fee h GLN 123 Ca -0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 2fee h GLN 123 Cb 0.85 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 2fee h GLN 123 CO 0.03 0.00 -1.13 -0.07 -1.93 0.00 0.00 178.83 175.73 2fee h LEU 124 N 0.00 0.18 0.00 -2.39 3.38 -1.08 -3.06 115.31 112.34 2fee h LEU 124 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2fee h LEU 124 Cb 0.62 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2fee h LEU 124 CO 0.00 1.16 0.00 0.41 0.09 0.00 0.00 178.44 180.10 2fee n THR 125 N -3.42 0.08 -0.10 0.22 -1.04 -1.07 -3.13 114.28 105.82 2fee n THR 125 Ca -0.04 0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.77 2fee n THR 125 Cb 0.98 -0.77 -0.12 0.00 -1.82 0.00 0.00 70.33 68.60 2fee n THR 125 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2fee n SER 126 N -1.04 2.00 0.00 8.00 7.64 -1.12 -5.04 113.62 124.06 2fee n SER 126 Ca 0.11 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2fee n SER 126 Cb 0.07 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2fee n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fee n GLY 127 N 1.91 1.98 2.75 0.23 0.00 -1.18 -5.10 105.19 105.77 2fee n GLY 127 Ca -0.44 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 2fee n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 128 N 0.00 -0.95 2.73 -0.02 0.00 -1.24 0.66 105.19 106.37 2fee n GLY 128 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 2fee n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee n ALA 129 N -3.46 -2.44 -2.60 4.61 0.00 -1.04 -4.23 120.51 111.34 2fee n ALA 129 Ca -0.15 -0.73 -0.43 0.00 0.00 0.00 0.00 53.44 52.14 2fee n ALA 129 Cb 0.41 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 2fee n ALA 129 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2fee s SER 130 N 0.62 6.69 -0.19 0.00 0.01 -1.26 -3.10 113.70 116.47 2fee s SER 130 Ca 0.28 0.59 -0.19 0.00 1.31 0.00 0.00 55.95 57.94 2fee s SER 130 Cb 0.07 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2fee s SER 130 CO -0.09 -0.89 0.54 -0.69 0.41 0.00 0.00 173.24 172.53 2fee s VAL 131 N 3.56 5.09 0.14 3.43 1.01 0.14 -4.02 120.40 129.74 2fee s VAL 131 Ca 0.39 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.44 2fee s VAL 131 Cb -0.12 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2fee s VAL 131 CO 0.20 0.18 0.07 -0.69 0.00 0.00 0.00 175.10 174.85 2fee s VAL 132 N 1.58 4.22 -0.22 2.92 1.01 -0.91 -1.35 120.40 127.64 2fee s VAL 132 Ca 0.26 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2fee s VAL 132 Cb -0.16 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.24 2fee s VAL 132 CO 0.10 -0.02 0.38 0.00 0.00 0.00 0.00 175.10 175.56 2fee s PHE 134 N 2.56 3.40 -0.24 0.00 0.08 0.42 -1.43 117.98 122.76 2fee s PHE 134 Ca 0.07 0.66 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 2fee s PHE 134 Cb -0.14 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 2fee s PHE 134 CO -0.14 0.03 0.07 -0.51 -0.10 0.00 0.00 175.22 174.57 2fee s LEU 135 N 1.17 3.50 -0.04 -0.37 1.43 0.10 -0.60 118.68 123.87 2fee s LEU 135 Ca 0.20 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2fee s LEU 135 Cb -0.15 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2fee s LEU 135 CO 0.08 -0.01 -0.24 0.20 0.23 0.00 0.00 176.35 176.61 2fee s ASN 136 N 1.47 2.93 -0.64 2.29 0.02 -0.88 0.32 114.94 120.45 2fee s ASN 136 Ca 0.06 -0.47 -0.10 0.00 -1.02 0.00 0.00 52.86 51.32 2fee s ASN 136 Cb -0.15 -0.59 0.01 0.00 0.02 0.00 0.00 41.25 40.54 2fee s ASN 136 CO 0.04 0.27 0.65 0.59 0.02 0.00 0.00 177.10 178.66 2fee n ASN 137 N 2.75 -6.72 -4.35 -1.22 3.02 -0.67 -1.34 115.26 106.72 2fee n ASN 137 Ca -0.17 -0.17 -0.28 0.00 -0.03 0.00 0.00 54.58 53.94 2fee n ASN 137 Cb 0.52 -3.82 -0.13 0.00 -0.61 0.00 0.00 39.78 35.73 2fee n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2fee s PHE 138 N -2.65 2.17 -0.01 3.10 -0.12 0.20 -4.22 117.98 116.45 2fee s PHE 138 Ca 0.12 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 2fee s PHE 138 Cb -0.02 -1.20 0.00 0.00 -0.63 0.00 0.00 43.02 41.17 2fee s PHE 138 CO 0.81 0.27 -0.02 -0.47 -0.05 0.00 0.00 175.22 175.76 2fee s TYR 139 N -1.03 0.25 0.78 3.49 6.14 0.28 -1.16 117.35 126.10 2fee s TYR 139 Ca 0.12 -0.03 -0.13 0.00 0.64 0.00 0.00 57.07 57.66 2fee s TYR 139 Cb -0.10 -0.20 0.18 0.00 0.42 0.00 0.00 41.96 42.26 2fee s TYR 139 CO 0.05 -0.03 1.04 -2.30 0.64 0.00 0.00 175.55 174.94 2fee n PRO 140 N 3.25 -1.14 0.15 4.97 -0.02 -1.26 -1.07 135.00 139.88 2fee n PRO 140 Ca -0.16 -1.60 0.13 0.00 -2.02 0.00 0.00 63.50 59.85 2fee n PRO 140 Cb 0.57 -1.09 0.33 0.00 -0.02 0.00 0.00 33.50 33.29 2fee n PRO 140 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2fee h LYS 141 N 0.00 0.00 -6.32 -0.52 2.10 -1.99 -3.43 116.57 106.42 2fee h LYS 141 Ca -0.34 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.74 2fee h LYS 141 Cb 0.94 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.21 2fee h LYS 141 CO 0.24 0.00 0.89 -0.51 -2.00 0.00 0.00 179.45 178.07 2fee s ASP 142 N -5.14 6.84 0.09 7.07 1.01 -1.26 -5.00 116.67 120.27 2fee s ASP 142 Ca 0.09 1.15 0.02 0.00 0.71 0.00 0.00 52.55 54.52 2fee s ASP 142 Cb 0.10 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2fee s ASP 142 CO 0.62 -0.94 -0.07 -0.51 0.21 0.00 0.00 175.17 174.47 2fee s ILE 143 N 3.90 0.69 -0.21 0.77 2.07 -1.26 -4.67 121.20 122.49 2fee s ILE 143 Ca 0.50 -1.73 -0.01 0.00 -1.41 0.00 0.00 60.65 58.00 2fee s ILE 143 Cb -0.14 -1.42 0.06 0.00 0.13 0.00 0.00 42.46 41.08 2fee s ILE 143 CO 0.18 -0.74 -0.02 0.20 -1.91 0.00 0.00 174.94 172.66 2fee s ASN 144 N -2.68 3.35 0.11 4.50 0.01 -0.26 -5.00 114.94 114.98 2fee s ASN 144 Ca 0.07 -0.97 -0.15 0.00 -0.71 0.00 0.00 52.86 51.09 2fee s ASN 144 Cb 0.01 -0.90 -0.07 0.00 0.41 0.00 0.00 41.25 40.70 2fee s ASN 144 CO -0.03 -0.26 0.52 0.54 -1.51 0.00 0.00 177.10 176.36 2fee s VAL 145 N 1.62 4.88 -0.05 1.60 0.11 -1.26 -0.80 120.40 126.50 2fee s VAL 145 Ca -0.03 0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 59.86 2fee s VAL 145 Cb -0.18 -3.75 0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2fee s VAL 145 CO -0.07 0.34 0.09 -0.75 -3.33 0.00 0.00 175.10 171.37 2fee s LYS 146 N -1.72 0.00 -0.14 1.54 2.20 0.26 -4.97 119.74 116.92 2fee s LYS 146 Ca 0.34 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 56.23 2fee s LYS 146 Cb -0.16 -0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 2fee s LYS 146 CO 0.18 -0.22 0.03 -1.58 -0.36 0.00 0.00 175.35 173.40 2fee s TRP 147 N 1.47 3.20 -0.47 4.03 0.52 -1.26 0.36 118.94 126.79 2fee s TRP 147 Ca -0.05 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.17 2fee s TRP 147 Cb -0.12 -1.95 0.16 0.00 -1.15 0.00 0.00 33.47 30.41 2fee s TRP 147 CO -0.04 0.26 0.33 0.15 0.02 0.00 0.00 176.95 177.66 2fee s LYS 148 N -0.15 1.30 -0.17 4.98 1.02 -0.83 -0.72 119.74 125.18 2fee s LYS 148 Ca 0.06 -2.24 -0.29 0.00 0.02 0.00 0.00 55.97 53.52 2fee s LYS 148 Cb -0.12 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 2fee s LYS 148 CO 0.02 -1.28 1.61 0.42 -0.92 0.00 0.00 175.35 175.20 2fee s ILE 149 N -0.04 3.70 -1.40 2.17 1.01 -0.05 -2.22 121.20 124.37 2fee s ILE 149 Ca 0.25 0.81 -0.04 0.00 0.00 0.00 0.00 60.65 61.67 2fee s ILE 149 Cb -0.10 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.75 2fee s ILE 149 CO -0.11 -0.21 0.70 0.47 0.00 0.00 0.00 174.94 175.80 2fee n ASP 150 N 7.98 -1.89 0.00 3.58 10.43 0.21 -1.54 116.55 135.32 2fee n ASP 150 Ca 0.18 -0.86 0.00 0.00 2.57 0.00 0.00 54.79 56.68 2fee n ASP 150 Cb 0.44 -3.73 0.00 0.00 1.84 0.00 0.00 41.12 39.67 2fee n ASP 150 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2fee n GLY 151 N -1.69 2.28 3.89 0.44 0.00 -1.21 -4.98 105.19 103.93 2fee n GLY 151 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2fee n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fee s SER 152 N -1.48 6.47 0.36 1.61 0.15 -0.59 -4.94 113.70 115.28 2fee s SER 152 Ca 0.00 0.51 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 2fee s SER 152 Cb 0.00 -2.07 -0.09 0.00 -1.71 0.00 0.00 66.02 62.15 2fee s SER 152 CO 0.00 0.23 1.19 -0.70 1.20 0.00 0.00 173.24 175.17 2fee s GLU 153 N -1.91 4.24 0.04 5.44 2.12 -1.26 -0.87 118.70 126.50 2fee s GLU 153 Ca 0.29 1.93 0.06 0.00 0.36 0.00 0.00 54.97 57.62 2fee s GLU 153 Cb -0.13 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 2fee s GLU 153 CO 0.18 -0.18 -0.18 0.50 -0.54 0.00 0.00 175.26 175.03 2fee s ARG 154 N -2.00 1.23 0.00 4.30 6.06 0.10 -4.83 118.95 123.81 2fee s ARG 154 Ca 0.52 -0.85 0.00 0.00 -2.50 0.00 0.00 55.73 52.90 2fee s ARG 154 Cb -0.33 -1.30 0.00 0.00 0.06 0.00 0.00 34.95 33.38 2fee s ARG 154 CO 0.43 0.33 0.28 1.04 -2.50 0.00 0.00 175.30 174.88 2fee n GLN 155 N 1.93 0.00 -3.92 5.12 6.02 -1.26 -4.17 117.38 121.09 2fee n GLN 155 Ca -0.17 -0.28 -0.35 0.00 -0.01 0.00 0.00 57.00 56.19 2fee n GLN 155 Cb 0.54 -0.31 -0.09 0.00 1.02 0.00 0.00 30.24 31.40 2fee n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2fee s ASN 156 N 0.00 5.86 -0.99 1.08 -0.87 -1.26 -4.45 114.94 114.32 2fee s ASN 156 Ca 0.00 0.17 -0.00 0.00 -1.57 0.00 0.00 52.86 51.45 2fee s ASN 156 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 41.25 39.24 2fee s ASN 156 CO 0.00 0.21 0.04 0.61 -2.57 0.00 0.00 177.10 175.39 2fee n GLY 157 N 3.33 -0.10 3.86 0.66 0.00 -1.26 -4.83 105.19 106.85 2fee n GLY 157 Ca -0.17 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2fee n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fee s VAL 158 N -2.62 5.37 -0.03 1.61 1.01 -1.26 -1.48 120.40 122.99 2fee s VAL 158 Ca 0.02 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2fee s VAL 158 Cb -0.01 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 2fee s VAL 158 CO 0.03 0.60 -0.14 -0.76 0.00 0.00 0.00 175.10 174.82 2fee s LEU 159 N -0.97 1.91 0.14 3.92 1.43 -0.66 -4.97 118.68 119.48 2fee s LEU 159 Ca 0.17 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 2fee s LEU 159 Cb -0.13 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2fee s LEU 159 CO 0.06 0.14 -0.21 0.20 0.23 0.00 0.00 176.35 176.78 2fee s ASN 160 N -0.04 3.68 -0.20 2.29 0.01 -1.26 -0.18 114.94 119.23 2fee s ASN 160 Ca -0.01 -0.67 -0.13 0.00 -0.71 0.00 0.00 52.86 51.35 2fee s ASN 160 Cb -0.09 -0.42 0.06 0.00 0.41 0.00 0.00 41.25 41.21 2fee s ASN 160 CO 0.01 0.16 0.50 -0.55 -1.51 0.00 0.00 177.10 175.72 2fee s SER 161 N -2.26 -0.62 -0.00 -1.22 0.15 -0.71 -5.00 113.70 104.03 2fee s SER 161 Ca 0.18 1.08 0.03 0.00 0.70 0.00 0.00 55.95 57.94 2fee s SER 161 Cb -0.10 0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 2fee s SER 161 CO 0.09 -0.20 -0.09 0.26 1.20 0.00 0.00 173.24 174.51 2fee s TRP 162 N 1.16 2.84 0.55 3.44 0.51 -1.26 -0.52 118.94 125.67 2fee s TRP 162 Ca -0.07 -0.07 -0.07 0.00 -2.12 0.00 0.00 56.10 53.77 2fee s TRP 162 Cb -0.06 -1.60 -0.02 0.00 -0.81 0.00 0.00 33.47 30.97 2fee s TRP 162 CO -0.11 0.34 0.89 0.95 -0.51 0.00 0.00 176.95 178.51 2fee s THR 163 N -0.95 4.49 1.30 2.01 -4.23 -0.11 -5.00 115.64 113.14 2fee s THR 163 Ca 0.16 0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.82 2fee s THR 163 Cb -0.11 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.31 2fee s THR 163 CO 0.06 -0.82 0.98 -1.81 -0.54 0.00 0.00 174.62 172.49 2fee s ASP 164 N -4.18 -0.05 0.09 3.99 1.11 -1.26 -4.52 116.67 111.84 2fee s ASP 164 Ca 0.51 1.14 -0.31 0.00 0.18 0.00 0.00 52.55 54.07 2fee s ASP 164 Cb -0.11 -1.71 -0.07 0.00 1.07 0.00 0.00 42.92 42.10 2fee s ASP 164 CO 0.47 -4.78 1.36 -1.58 1.18 0.00 0.00 175.17 171.82 2fee s GLN 165 N -4.79 4.33 0.53 8.23 0.74 -1.26 -4.70 119.66 122.74 2fee s GLN 165 Ca 0.69 2.01 -0.21 0.00 0.05 0.00 0.00 55.36 57.89 2fee s GLN 165 Cb -0.19 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 2fee s GLN 165 CO 0.61 -0.43 1.25 0.34 -0.55 0.00 0.00 175.29 176.51 2fee s ASP 166 N 1.23 5.53 0.29 6.67 -1.08 -0.86 -4.90 116.67 123.54 2fee s ASP 166 Ca 0.63 2.50 0.25 0.00 -0.52 0.00 0.00 52.55 55.41 2fee s ASP 166 Cb -0.35 -2.61 0.56 0.00 -1.46 0.00 0.00 42.92 39.06 2fee s ASP 166 CO 0.29 -1.37 1.64 0.28 0.52 0.00 0.00 175.17 176.54 2fee h SER 167 N 1.47 0.00 0.00 -0.34 0.02 -1.91 -2.12 113.55 110.66 2fee h SER 167 Ca -0.50 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.26 2fee h SER 167 Cb 1.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2fee h SER 167 CO 0.57 0.01 -1.62 0.29 -1.14 0.00 0.00 176.83 174.94 2fee n LYS 168 N -2.57 0.27 -0.00 3.45 4.01 -1.26 -3.21 118.16 118.85 2fee n LYS 168 Ca 0.05 0.07 0.08 0.00 -0.51 0.00 0.00 58.31 57.99 2fee n LYS 168 Cb 0.47 -1.20 -0.11 0.00 -0.51 0.00 0.00 35.03 33.68 2fee n LYS 168 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2fee n ASP 169 N -2.85 0.85 -3.73 4.39 5.68 -1.26 -4.82 116.55 114.82 2fee n ASP 169 Ca -0.20 -0.67 -0.23 0.00 -0.50 0.00 0.00 54.79 53.19 2fee n ASP 169 Cb 0.70 1.20 0.04 0.00 -1.14 0.00 0.00 41.12 41.93 2fee n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2fee n SER 170 N -1.58 -2.51 -4.52 -1.12 7.64 -0.80 -4.98 113.62 105.75 2fee n SER 170 Ca 0.02 -0.78 -0.25 0.00 1.01 0.00 0.00 58.87 58.87 2fee n SER 170 Cb 0.31 -4.16 -0.11 0.00 -1.01 0.00 0.00 64.21 59.25 2fee n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fee s THR 171 N -3.53 1.95 0.35 0.44 -4.23 -1.26 -4.78 115.64 104.59 2fee s THR 171 Ca 0.21 -2.13 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 2fee s THR 171 Cb -0.10 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 2fee s THR 171 CO 0.81 -0.17 0.11 -0.31 -0.54 0.00 0.00 174.62 174.51 2fee s TYR 172 N -2.79 2.64 -0.00 3.99 1.51 -0.31 -2.02 117.35 120.36 2fee s TYR 172 Ca 0.33 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 55.84 2fee s TYR 172 Cb 0.05 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2fee s TYR 172 CO 0.16 0.36 0.21 -1.12 -1.11 0.00 0.00 175.55 174.04 2fee s SER 173 N -3.81 -0.06 0.02 2.29 0.01 -1.26 -0.63 113.70 110.25 2fee s SER 173 Ca 0.37 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.55 2fee s SER 173 Cb -0.01 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 2fee s SER 173 CO 0.22 -0.41 -0.04 -0.32 0.41 0.00 0.00 173.24 173.09 2fee s MET 174 N -1.41 0.35 0.07 12.44 1.75 0.15 -0.93 119.30 131.72 2fee s MET 174 Ca -0.14 -0.52 0.09 0.00 -1.25 0.00 0.00 55.69 53.88 2fee s MET 174 Cb -0.06 -0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.46 2fee s MET 174 CO 0.03 0.01 -0.25 -1.54 -0.65 0.00 0.00 175.02 172.62 2fee s SER 175 N -1.11 3.00 -0.04 1.11 1.04 0.33 -0.72 113.70 117.30 2fee s SER 175 Ca -0.09 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.75 2fee s SER 175 Cb -0.07 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2fee s SER 175 CO -0.00 0.20 -0.13 -0.55 0.98 0.00 0.00 173.24 173.74 2fee s SER 176 N -1.46 1.74 -0.40 7.02 0.15 -0.52 -1.74 113.70 118.49 2fee s SER 176 Ca 0.11 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.49 2fee s SER 176 Cb -0.10 -0.57 0.13 0.00 -1.71 0.00 0.00 66.02 63.77 2fee s SER 176 CO 0.03 0.09 0.20 -0.89 1.20 0.00 0.00 173.24 173.88 2fee s THR 177 N 0.26 1.06 -0.15 6.45 2.01 0.74 -1.11 115.64 124.90 2fee s THR 177 Ca -0.07 -2.16 -0.29 0.00 0.31 0.00 0.00 61.69 59.48 2fee s THR 177 Cb -0.12 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2fee s THR 177 CO 0.02 -0.87 1.40 -0.22 -0.69 0.00 0.00 174.62 174.26 2fee s LEU 178 N 0.74 4.18 -0.14 4.42 2.96 -0.46 -1.66 118.68 128.72 2fee s LEU 178 Ca 0.16 1.80 -0.01 0.00 -0.22 0.00 0.00 54.13 55.87 2fee s LEU 178 Cb -0.23 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 2fee s LEU 178 CO -0.04 -0.87 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.10 2fee s THR 179 N 3.84 3.02 0.11 3.68 2.01 -0.55 0.24 115.64 127.99 2fee s THR 179 Ca 0.61 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2fee s THR 179 Cb -0.25 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 2fee s THR 179 CO 0.20 0.51 0.03 0.18 -0.69 0.00 0.00 174.62 174.86 2fee n LEU 180 N 3.77 0.00 0.00 4.42 4.77 -1.18 -4.77 117.00 124.01 2fee n LEU 180 Ca -0.18 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 54.78 2fee n LEU 180 Cb 0.52 0.23 0.10 0.00 -2.33 0.00 0.00 43.42 41.95 2fee n LEU 180 CO 0.30 -0.12 0.48 0.35 -1.33 0.00 0.00 177.39 177.07 2fee n THR 181 N -0.25 0.00 0.01 -5.08 -2.24 -1.26 -2.48 114.28 102.98 2fee n THR 181 Ca -0.02 -1.65 -0.12 0.00 -2.27 0.00 0.00 64.05 59.99 2fee n THR 181 Cb 0.16 -0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 2fee n THR 181 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2fee h LYS 182 N 0.00 0.06 0.09 -0.78 3.64 0.04 -2.66 116.57 116.96 2fee h LYS 182 Ca -0.30 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 58.92 2fee h LYS 182 Cb 1.20 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2fee h LYS 182 CO 0.36 0.11 -0.64 -0.44 -2.27 0.00 0.00 179.45 176.57 2fee h ASP 183 N -0.00 0.41 -0.15 4.20 5.19 -1.95 -0.69 116.42 123.42 2fee h ASP 183 Ca 0.02 -0.91 0.04 0.00 -0.62 0.00 0.00 57.03 55.56 2fee h ASP 183 Cb 0.07 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2fee h ASP 183 CO -0.00 1.29 0.33 -0.08 -3.12 0.00 0.00 179.24 177.65 2fee h GLU 184 N -0.40 0.00 0.06 3.56 4.57 -1.96 0.79 114.58 121.19 2fee h GLU 184 Ca -0.11 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.70 2fee h GLU 184 Cb 1.46 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.01 2fee h GLU 184 CO 0.12 0.00 -2.20 0.98 -1.18 0.00 0.00 179.01 176.73 2fee n TYR 185 N -3.28 0.63 0.24 0.92 9.36 -1.00 -4.34 117.16 119.69 2fee n TYR 185 Ca 0.01 0.15 0.10 0.00 3.32 0.00 0.00 57.90 61.48 2fee n TYR 185 Cb 0.43 -1.08 0.62 0.00 -0.63 0.00 0.00 39.34 38.68 2fee n TYR 185 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2fee h GLU 186 N -0.08 0.00 -1.29 2.98 5.08 0.57 -2.39 114.58 119.46 2fee h GLU 186 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2fee h GLU 186 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2fee h GLU 186 CO -0.03 0.17 0.00 2.89 -1.00 0.00 0.00 179.01 181.04 2fee n ARG 187 N -3.76 0.99 -3.80 2.33 1.85 0.26 -4.74 116.66 109.79 2fee n ARG 187 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.74 2fee n ARG 187 Cb 0.28 -1.00 -0.05 0.00 -1.05 0.00 0.00 32.46 30.64 2fee n ARG 187 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2fee s HIS 188 N 0.01 0.04 -0.00 2.89 3.76 -0.90 -5.03 115.29 116.06 2fee s HIS 188 Ca 0.00 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2fee s HIS 188 Cb 0.00 0.21 -0.00 0.00 1.11 0.00 0.00 32.58 33.90 2fee s HIS 188 CO 0.00 -0.81 -0.00 -1.71 -0.85 0.00 0.00 174.74 171.37 2fee n ASN 189 N -0.27 1.05 -4.74 1.40 4.05 -1.26 -4.89 115.26 110.60 2fee n ASN 189 Ca -0.10 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.56 2fee n ASN 189 Cb 0.63 -0.01 -0.06 0.00 1.23 0.00 0.00 39.78 41.57 2fee n ASN 189 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2fee s SER 190 N -4.76 6.59 -0.08 1.20 0.15 -1.26 -1.79 113.70 113.74 2fee s SER 190 Ca -0.00 0.70 0.01 0.00 0.70 0.00 0.00 55.95 57.36 2fee s SER 190 Cb 0.00 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 2fee s SER 190 CO 0.01 0.09 -0.09 -0.31 1.20 0.00 0.00 173.24 174.13 2fee s TYR 191 N 0.32 1.37 0.22 3.44 1.51 -0.82 0.65 117.35 124.05 2fee s TYR 191 Ca 0.22 -0.58 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 2fee s TYR 191 Cb -0.14 -1.09 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 2fee s TYR 191 CO 0.08 -0.37 -0.17 0.95 -1.11 0.00 0.00 175.55 174.93 2fee s THR 192 N 1.15 1.99 -0.07 -0.71 -4.23 -0.94 -1.33 115.64 111.50 2fee s THR 192 Ca -0.06 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 2fee s THR 192 Cb -0.14 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2fee s THR 192 CO -0.02 -0.48 -0.05 0.00 -0.54 0.00 0.00 174.62 173.53 2fee s GLU 194 N 1.34 2.81 -0.28 0.00 2.02 0.16 -0.58 118.70 124.18 2fee s GLU 194 Ca -0.04 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 2fee s GLU 194 Cb -0.14 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.65 2fee s GLU 194 CO -0.03 -0.22 0.03 0.00 0.02 0.00 0.00 175.26 175.06 2fee s ALA 195 N 1.34 2.93 -0.17 5.21 0.00 0.29 -0.57 121.76 130.79 2fee s ALA 195 Ca 0.05 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 2fee s ALA 195 Cb -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2fee s ALA 195 CO -0.12 -0.89 -0.04 0.99 0.00 0.00 0.00 175.76 175.69 2fee s THR 196 N 1.43 3.74 -0.16 0.00 2.01 0.02 -0.11 115.64 122.58 2fee s THR 196 Ca 0.01 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 2fee s THR 196 Cb -0.17 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.74 2fee s THR 196 CO -0.00 0.48 0.50 -2.28 -0.69 0.00 0.00 174.62 172.62 2fee s HIS 197 N 0.58 -0.52 0.05 4.92 5.04 -1.26 -1.10 115.29 123.00 2fee s HIS 197 Ca -0.03 1.22 0.02 0.00 -1.54 0.00 0.00 55.06 54.73 2fee s HIS 197 Cb -0.14 0.20 0.17 0.00 0.04 0.00 0.00 32.58 32.84 2fee s HIS 197 CO 0.03 -0.31 0.22 1.17 -2.34 0.00 0.00 174.74 173.51 2fee n LYS 198 N 2.49 -0.01 0.17 2.88 4.81 -1.26 -0.79 118.16 126.46 2fee n LYS 198 Ca -0.15 0.19 0.06 0.00 -0.87 0.00 0.00 58.31 57.55 2fee n LYS 198 Cb 0.56 -0.34 0.18 0.00 0.02 0.00 0.00 35.03 35.45 2fee n LYS 198 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2fee h THR 199 N 0.00 0.67 -3.29 3.15 1.35 -1.93 -3.42 112.91 109.43 2fee h THR 199 Ca 0.11 -1.73 -0.53 0.00 -0.55 0.00 0.00 66.41 63.71 2fee h THR 199 Cb 0.28 2.17 -0.35 0.00 -1.73 0.00 0.00 68.15 68.52 2fee h THR 199 CO -0.11 0.35 -0.81 -0.55 -0.25 0.00 0.00 175.52 174.14 2fee s SER 200 N -6.35 2.05 0.10 5.36 0.15 0.03 -5.02 113.70 110.03 2fee s SER 200 Ca 0.03 -0.32 -0.26 0.00 0.70 0.00 0.00 55.95 56.10 2fee s SER 200 Cb 0.08 -0.88 -0.10 0.00 -1.71 0.00 0.00 66.02 63.41 2fee s SER 200 CO 0.70 -0.03 1.67 0.71 1.20 0.00 0.00 173.24 177.49 2fee h THR 201 N 6.05 0.61 -3.58 6.45 1.35 -1.83 -3.36 112.91 118.60 2fee h THR 201 Ca -0.31 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 64.91 2fee h THR 201 Cb 1.16 0.61 -0.14 0.00 -1.73 0.00 0.00 68.15 68.05 2fee h THR 201 CO 0.45 0.00 0.15 -0.94 -0.25 0.00 0.00 175.52 174.93 2fee s SER 202 N -4.90 6.38 -0.15 5.36 1.04 -1.26 -4.94 113.70 115.23 2fee s SER 202 Ca -0.15 -0.09 -0.42 0.00 0.48 0.00 0.00 55.95 55.77 2fee s SER 202 Cb 0.07 -2.33 -0.20 0.00 0.10 0.00 0.00 66.02 63.67 2fee s SER 202 CO 0.65 -0.70 1.22 -2.65 0.98 0.00 0.00 173.24 172.75 2fee n PRO 203 N 6.19 0.00 -2.17 4.02 -0.01 -1.26 -4.90 135.00 136.87 2fee n PRO 203 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 63.50 63.05 2fee n PRO 203 Cb 0.48 -1.49 -0.02 0.00 -0.01 0.00 0.00 33.50 32.46 2fee n PRO 203 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2fee s ILE 204 N 0.88 3.76 -0.11 4.25 1.01 0.85 -4.74 121.20 127.10 2fee s ILE 204 Ca 0.95 0.85 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 2fee s ILE 204 Cb -1.33 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 37.31 2fee s ILE 204 CO 0.64 -0.35 -0.04 0.68 0.00 0.00 0.00 174.94 175.87 2fee s VAL 205 N 5.19 3.93 -0.01 2.92 -7.23 -1.26 0.10 120.40 124.05 2fee s VAL 205 Ca 0.69 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.50 2fee s VAL 205 Cb -0.23 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2fee s VAL 205 CO 0.29 0.56 -0.03 -0.54 -0.31 0.00 0.00 175.10 175.07 2fee s LYS 206 N -0.35 0.33 -0.01 4.82 -0.14 0.26 -4.98 119.74 119.67 2fee s LYS 206 Ca 0.06 -0.08 -0.14 0.00 -1.36 0.00 0.00 55.97 54.46 2fee s LYS 206 Cb -0.12 -0.37 0.02 0.00 -1.68 0.00 0.00 37.83 35.67 2fee s LYS 206 CO 0.02 0.02 0.28 -1.54 -0.76 0.00 0.00 175.35 173.37 2fee s SER 207 N 0.25 -0.15 0.05 2.83 1.04 -1.26 0.33 113.70 116.79 2fee s SER 207 Ca -0.02 0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.51 2fee s SER 207 Cb -0.05 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2fee s SER 207 CO -0.01 -0.43 -0.20 0.72 0.98 0.00 0.00 173.24 174.30 2fee s PHE 208 N -1.34 1.74 -0.17 5.02 -0.12 -0.44 -5.00 117.98 117.67 2fee s PHE 208 Ca -0.14 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 2fee s PHE 208 Cb -0.06 -1.02 0.01 0.00 -0.63 0.00 0.00 43.02 41.32 2fee s PHE 208 CO 0.04 0.10 -0.19 -0.80 -0.05 0.00 0.00 175.22 174.33 2fee s ASN 209 N -1.29 3.30 0.10 1.98 0.01 -1.26 -1.94 114.94 115.84 2fee s ASN 209 Ca 0.07 -0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 2fee s ASN 209 Cb -0.09 -1.50 -0.11 0.00 0.41 0.00 0.00 41.25 39.96 2fee s ASN 209 CO 0.02 0.04 1.62 0.03 -1.51 0.00 0.00 177.10 177.29 2fee h ARG 210 N 7.67 -0.61 0.00 -0.60 3.08 -1.70 -3.50 114.38 118.73 2fee h ARG 210 Ca -0.39 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2fee h ARG 210 Cb 1.16 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2fee h ARG 210 CO 0.60 -0.41 0.00 0.00 -1.07 0.00 0.00 179.97 179.09