#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fxr s VAL 17 N 0.00 4.35 -0.69 1.39 1.01 0.12 -3.96 120.40 122.62 2fxr s VAL 17 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2fxr s VAL 17 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2fxr s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2fxr n GLY 18 N 3.69 0.88 0.00 4.51 0.00 -1.23 -2.39 105.19 110.65 2fxr n GLY 18 Ca -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2fxr n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fxr n GLY 19 N -2.12 3.51 3.65 -0.02 0.00 -1.26 -4.87 105.19 104.07 2fxr n GLY 19 Ca -0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 2fxr n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fxr s GLN 20 N 3.59 1.42 0.22 1.61 -2.07 -0.43 -4.94 119.66 119.07 2fxr s GLN 20 Ca 0.00 -0.68 -0.32 0.00 -1.82 0.00 0.00 55.36 52.54 2fxr s GLN 20 Cb 0.00 0.55 -0.14 0.00 -1.09 0.00 0.00 33.01 32.34 2fxr s GLN 20 CO 0.00 -0.64 1.43 -1.91 -1.32 0.00 0.00 175.29 172.85 2fxr n GLU 21 N -0.41 2.01 -3.02 9.60 2.13 -1.26 -1.62 120.64 128.07 2fxr n GLU 21 Ca -0.10 0.72 -0.39 0.00 0.66 0.00 0.00 57.16 58.05 2fxr n GLU 21 Cb 0.62 -2.39 -0.06 0.00 0.27 0.00 0.00 31.44 29.88 2fxr n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fxr s ALA 22 N 0.13 3.45 0.40 4.31 0.00 0.35 -4.86 121.76 125.53 2fxr s ALA 22 Ca 0.71 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 2fxr s ALA 22 Cb -0.67 -2.91 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 2fxr s ALA 22 CO 0.47 0.31 1.35 -2.30 0.00 0.00 0.00 175.76 175.59 2fxr n PRO 23 N 1.44 2.21 0.00 0.00 -0.02 -1.26 -4.84 135.00 132.53 2fxr n PRO 23 Ca -0.05 0.78 0.23 0.00 -2.02 0.00 0.00 63.50 62.43 2fxr n PRO 23 Cb 0.49 -2.48 0.64 0.00 -0.02 0.00 0.00 33.50 32.14 2fxr n PRO 23 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2fxr h ARG 24 N 2.43 0.00 -0.66 -0.52 2.43 -2.00 -2.11 114.38 113.96 2fxr h ARG 24 Ca -0.49 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.32 2fxr h ARG 24 Cb 1.28 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.61 2fxr h ARG 24 CO 0.62 0.00 0.24 -1.13 -1.51 0.00 0.00 179.97 178.19 2fxr n SER 25 N -3.50 3.35 -4.29 -3.80 3.41 -1.26 -4.96 113.62 102.56 2fxr n SER 25 Ca 0.12 -3.72 -0.27 0.00 -0.26 0.00 0.00 58.87 54.74 2fxr n SER 25 Cb 0.92 -0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 2fxr n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fxr s LYS 26 N -3.32 1.49 -0.97 4.33 1.02 -0.79 -4.79 119.74 116.71 2fxr s LYS 26 Ca 0.51 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 2fxr s LYS 26 Cb 0.44 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.08 2fxr s LYS 26 CO 0.04 0.42 0.81 0.91 -0.92 0.00 0.00 175.35 176.61 2fxr n TRP 27 N 1.70 -1.82 0.33 3.18 5.03 -1.26 -4.87 117.44 119.72 2fxr n TRP 27 Ca -0.17 0.76 0.02 0.00 3.03 0.00 0.00 57.50 61.14 2fxr n TRP 27 Cb 0.53 -4.44 0.15 0.00 -1.03 0.00 0.00 31.31 26.52 2fxr n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2fxr n PRO 28 N -3.48 0.16 -0.00 -0.99 -0.04 -1.26 -1.89 135.00 127.50 2fxr n PRO 28 Ca -0.21 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.31 2fxr n PRO 28 Cb 0.63 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 2fxr n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2fxr n TRP 29 N -0.97 0.00 -1.75 0.54 2.14 -1.20 -2.67 117.44 113.52 2fxr n TRP 29 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 2fxr n TRP 29 Cb 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 2fxr n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2fxr n GLN 30 N -1.36 2.55 -4.16 -2.67 -0.06 -0.79 -1.45 117.38 109.43 2fxr n GLN 30 Ca 0.02 0.89 -0.11 0.00 -2.00 0.00 0.00 57.00 55.81 2fxr n GLN 30 Cb 0.22 -2.60 -0.10 0.00 -4.06 0.00 0.00 30.24 23.70 2fxr n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2fxr s VAL 31 N -0.99 0.70 -0.11 1.69 1.01 -0.87 -2.19 120.40 119.64 2fxr s VAL 31 Ca 0.55 -1.85 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2fxr s VAL 31 Cb -0.50 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2fxr s VAL 31 CO 0.62 -0.82 -0.20 -0.55 0.00 0.00 0.00 175.10 174.15 2fxr s SER 32 N -2.89 2.83 -0.18 3.32 0.15 0.11 -2.59 113.70 114.45 2fxr s SER 32 Ca 0.10 -0.52 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 2fxr s SER 32 Cb 0.04 -1.30 -0.03 0.00 -1.71 0.00 0.00 66.02 63.02 2fxr s SER 32 CO -0.04 0.09 0.59 -0.76 1.20 0.00 0.00 173.24 174.33 2fxr s LEU 33 N 0.66 4.18 -0.07 3.45 1.02 0.17 -1.11 118.68 126.98 2fxr s LEU 33 Ca -0.12 0.83 0.01 0.00 0.02 0.00 0.00 54.13 54.87 2fxr s LEU 33 Cb -0.16 -2.85 -0.03 0.00 0.02 0.00 0.00 46.19 43.17 2fxr s LEU 33 CO 0.03 -0.21 -0.07 -0.13 0.02 0.00 0.00 176.35 175.98 2fxr s ARG 34 N 1.60 2.78 -0.05 1.70 1.81 -0.79 -1.83 118.95 124.17 2fxr s ARG 34 Ca 0.28 -0.56 0.06 0.00 -1.72 0.00 0.00 55.73 53.79 2fxr s ARG 34 Cb -0.16 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.74 2fxr s ARG 34 CO 0.11 0.63 -0.24 0.54 -0.68 0.00 0.00 175.30 175.66 2fxr s VAL 35 N -0.73 2.18 0.30 3.52 0.11 -0.49 -1.21 120.40 124.09 2fxr s VAL 35 Ca 0.11 -1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 2fxr s VAL 35 Cb -0.11 -1.79 -0.10 0.00 -1.53 0.00 0.00 36.38 32.85 2fxr s VAL 35 CO 0.01 0.57 1.34 -2.28 -3.33 0.00 0.00 175.10 171.42 2fxr s HIS 36 N -0.31 3.05 0.00 1.54 2.46 -0.22 -2.44 115.29 119.37 2fxr s HIS 36 Ca 0.01 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.85 2fxr s HIS 36 Cb -0.13 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2fxr s HIS 36 CO 0.02 -2.06 0.00 0.41 -2.47 0.00 0.00 174.74 170.65 2fxr n GLY 37 N 1.21 1.19 0.42 1.59 0.00 -1.26 -4.94 105.19 103.39 2fxr n GLY 37 Ca 0.02 -0.14 0.24 0.00 0.00 0.00 0.00 46.02 46.14 2fxr n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fxr h PRO 37 N 0.00 0.00 -3.00 1.61 0.11 -2.04 -3.42 132.00 125.26 2fxr h PRO 37 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2fxr h PRO 37 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 2fxr h PRO 37 CO 0.00 0.00 0.21 1.52 -0.21 0.00 0.00 178.00 179.52 2fxr s TYR 37 N -4.87 -0.51 -1.04 0.65 1.13 -1.26 -5.07 117.35 106.37 2fxr s TYR 37 Ca -0.05 0.28 -0.23 0.00 -1.41 0.00 0.00 57.07 55.66 2fxr s TYR 37 Cb 0.19 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.59 2fxr s TYR 37 CO 0.69 -0.88 1.83 -1.58 -2.51 0.00 0.00 175.55 173.10 2fxr s TRP 38 N -3.76 2.08 0.31 -3.49 0.52 -1.26 -4.70 118.94 108.64 2fxr s TRP 38 Ca 0.02 0.08 -0.27 0.00 0.02 0.00 0.00 56.10 55.95 2fxr s TRP 38 Cb -0.01 -4.23 -0.10 0.00 -1.15 0.00 0.00 33.47 27.98 2fxr s TRP 38 CO -0.11 -1.64 0.96 1.41 0.02 0.00 0.00 176.95 177.59 2fxr s MET 39 N 6.20 4.59 0.17 4.98 1.75 -1.02 -4.68 119.30 131.29 2fxr s MET 39 Ca 0.64 1.40 -0.30 0.00 -1.25 0.00 0.00 55.69 56.18 2fxr s MET 39 Cb -0.03 -2.88 -0.08 0.00 2.84 0.00 0.00 34.83 34.69 2fxr s MET 39 CO 0.02 0.27 1.17 -1.58 -0.65 0.00 0.00 175.02 174.26 2fxr s HIS 40 N -1.52 3.47 0.00 4.11 2.46 -1.26 -1.40 115.29 121.15 2fxr s HIS 40 Ca 0.49 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.48 2fxr s HIS 40 Cb -0.21 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 2fxr s HIS 40 CO 0.27 -1.06 0.00 1.97 -2.47 0.00 0.00 174.74 173.45 2fxr n PHE 41 N 2.60 0.00 -3.68 3.88 -1.74 -0.76 -4.96 117.46 112.79 2fxr n PHE 41 Ca 0.04 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.87 2fxr n PHE 41 Cb 0.45 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.43 2fxr n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fxr n GLY 43 N -0.41 2.69 3.04 0.00 0.00 0.30 -0.65 105.19 110.15 2fxr n GLY 43 Ca -0.08 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.76 2fxr n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fxr n GLY 44 N 2.80 0.36 3.02 -0.02 0.00 -1.07 -3.71 105.19 106.57 2fxr n GLY 44 Ca 0.01 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2fxr n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fxr s SER 45 N -3.14 0.15 -0.49 1.61 1.04 -0.66 -2.04 113.70 110.17 2fxr s SER 45 Ca 0.23 -0.36 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 2fxr s SER 45 Cb -0.01 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.29 2fxr s SER 45 CO -0.00 -0.31 0.69 -0.22 0.98 0.00 0.00 173.24 174.38 2fxr s LEU 46 N -1.35 4.66 0.00 2.42 2.96 -0.53 -1.07 118.68 125.78 2fxr s LEU 46 Ca -0.15 -0.63 0.21 0.00 -0.22 0.00 0.00 54.13 53.34 2fxr s LEU 46 Cb -0.09 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 2fxr s LEU 46 CO -0.00 -0.91 0.99 2.30 -1.32 0.00 0.00 176.35 177.41 2fxr n ILE 47 N 5.79 0.00 -3.61 6.68 -5.35 -0.85 -0.66 119.36 121.36 2fxr n ILE 47 Ca -0.03 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.10 2fxr n ILE 47 Cb 0.47 1.20 -0.07 0.00 -1.74 0.00 0.00 39.64 39.50 2fxr n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fxr s HIS 48 N -2.44 -0.56 0.61 4.28 5.04 -1.19 -4.77 115.29 116.25 2fxr s HIS 48 Ca 0.15 1.26 0.15 0.00 -1.54 0.00 0.00 55.06 55.08 2fxr s HIS 48 Cb 0.16 0.36 0.50 0.00 0.04 0.00 0.00 32.58 33.65 2fxr s HIS 48 CO 0.59 -0.34 1.12 -2.30 -2.34 0.00 0.00 174.74 171.47 2fxr n PRO 49 N 1.91 0.02 0.00 2.88 -0.02 -1.26 -0.22 135.00 138.30 2fxr n PRO 49 Ca -0.13 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2fxr n PRO 49 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2fxr n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2fxr n GLN 50 N -2.85 1.31 -4.60 -0.52 7.27 -1.26 -0.21 117.38 116.53 2fxr n GLN 50 Ca 0.13 -0.96 -0.22 0.00 0.07 0.00 0.00 57.00 56.02 2fxr n GLN 50 Cb 1.26 -0.84 -0.15 0.00 2.41 0.00 0.00 30.24 32.92 2fxr n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2fxr s TRP 51 N -0.50 1.28 -0.11 3.69 0.52 0.69 -0.90 118.94 123.61 2fxr s TRP 51 Ca 0.00 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 55.89 2fxr s TRP 51 Cb 0.00 -0.81 0.00 0.00 -1.15 0.00 0.00 33.47 31.51 2fxr s TRP 51 CO 0.00 -0.01 -0.24 0.08 0.02 0.00 0.00 176.95 176.81 2fxr s VAL 52 N -0.45 2.06 -0.01 4.03 1.01 0.17 -2.01 120.40 125.20 2fxr s VAL 52 Ca 0.05 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 2fxr s VAL 52 Cb -0.06 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 2fxr s VAL 52 CO -0.00 0.56 0.43 -0.22 0.00 0.00 0.00 175.10 175.86 2fxr s LEU 53 N 0.42 4.45 0.00 3.92 2.96 -0.23 -0.46 118.68 129.74 2fxr s LEU 53 Ca -0.17 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2fxr s LEU 53 Cb -0.18 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.90 2fxr s LEU 53 CO 0.07 0.28 0.08 1.07 -1.32 0.00 0.00 176.35 176.52 2fxr n THR 54 N 2.09 0.00 -3.68 3.68 5.66 -0.68 -1.65 114.28 119.70 2fxr n THR 54 Ca -0.13 -0.12 -0.37 0.00 -3.05 0.00 0.00 64.05 60.38 2fxr n THR 54 Cb 0.52 0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 2fxr n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fxr s ALA 55 N -1.21 3.78 0.28 1.79 0.00 -1.26 -0.95 121.76 124.19 2fxr s ALA 55 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 2fxr s ALA 55 Cb -0.00 -2.19 0.39 0.00 0.00 0.00 0.00 23.12 21.31 2fxr s ALA 55 CO 0.01 0.55 1.77 0.00 0.00 0.00 0.00 175.76 178.09 2fxr h ALA 56 N 4.80 1.14 0.00 0.00 0.00 -1.71 -2.02 119.26 121.47 2fxr h ALA 56 Ca -0.53 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2fxr h ALA 56 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2fxr h ALA 56 CO 0.60 0.55 0.00 -2.39 0.00 0.00 0.00 179.25 178.01 2fxr n HIS 57 N -4.20 0.00 0.07 0.00 1.44 -1.26 -0.44 115.22 110.82 2fxr n HIS 57 Ca 0.02 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.69 2fxr n HIS 57 Cb 0.32 -0.37 -0.07 0.00 0.12 0.00 0.00 29.99 29.99 2fxr n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fxr n VAL 59 N -3.20 0.92 -2.50 0.00 0.24 -0.25 -5.02 118.33 108.52 2fxr n VAL 59 Ca -0.03 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 2fxr n VAL 59 Cb 0.88 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 2fxr n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fxr n GLY 60 N -0.68 2.24 0.28 7.63 0.00 0.41 -4.49 105.19 110.58 2fxr n GLY 60 Ca 0.07 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.46 2fxr n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fxr h PRO 60 N 0.00 0.00 -6.99 1.61 0.13 -1.79 -3.40 132.00 121.56 2fxr h PRO 60 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2fxr h PRO 60 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2fxr h PRO 60 CO 0.00 0.07 0.43 -0.51 -0.23 0.00 0.00 178.00 177.76 2fxr s ASP 60 N -6.11 6.54 0.29 1.44 1.01 -1.26 -4.97 116.67 113.61 2fxr s ASP 60 Ca -0.04 2.11 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 2fxr s ASP 60 Cb 0.14 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.37 2fxr s ASP 60 CO 0.56 -0.65 1.50 -0.69 0.21 0.00 0.00 175.17 176.10 2fxr s VAL 60 N -1.66 2.33 0.34 -1.27 1.01 -1.26 -5.00 120.40 114.88 2fxr s VAL 60 Ca 0.60 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.95 2fxr s VAL 60 Cb -0.23 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2fxr s VAL 60 CO 0.29 0.05 0.23 -0.54 0.00 0.00 0.00 175.10 175.13 2fxr s LYS 60 N -0.81 2.58 -0.19 2.72 -0.14 -1.26 -5.08 119.74 117.56 2fxr s LYS 60 Ca 0.59 -1.40 -0.16 0.00 -1.36 0.00 0.00 55.97 53.65 2fxr s LYS 60 Cb -0.45 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 2fxr s LYS 60 CO 0.49 0.11 0.39 0.34 -0.76 0.00 0.00 175.35 175.91 2fxr s ASP 60 N -3.93 6.45 0.25 2.83 3.68 -1.26 -4.99 116.67 119.70 2fxr s ASP 60 Ca 0.39 0.53 -0.03 0.00 2.13 0.00 0.00 52.55 55.58 2fxr s ASP 60 Cb -0.04 -2.23 0.29 0.00 -1.45 0.00 0.00 42.92 39.48 2fxr s ASP 60 CO 0.25 -0.04 1.75 -0.07 0.13 0.00 0.00 175.17 177.19 2fxr h LEU 61 N 7.40 0.83 -1.94 -1.34 4.07 -1.94 -2.80 115.31 119.58 2fxr h LEU 61 Ca -0.37 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2fxr h LEU 61 Cb 1.16 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2fxr h LEU 61 CO 0.73 0.88 0.20 0.00 -1.08 0.00 0.00 178.44 179.16 2fxr h ALA 62 N 1.22 1.18 -0.12 1.53 0.00 -1.94 0.35 119.26 121.47 2fxr h ALA 62 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2fxr h ALA 62 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2fxr h ALA 62 CO 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2fxr n ALA 63 N -1.86 2.48 -2.47 0.00 0.00 -1.06 -4.93 120.51 112.68 2fxr n ALA 63 Ca -0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 2fxr n ALA 63 Cb 0.24 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 2fxr n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fxr s LEU 64 N -1.83 2.66 0.21 0.00 2.96 0.12 -1.05 118.68 121.75 2fxr s LEU 64 Ca 0.33 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 2fxr s LEU 64 Cb 0.21 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 2fxr s LEU 64 CO 0.31 0.22 0.27 -0.13 -1.32 0.00 0.00 176.35 175.70 2fxr s ARG 65 N -1.80 1.32 -0.04 1.98 1.81 -0.35 -4.24 118.95 117.63 2fxr s ARG 65 Ca 0.16 -1.44 0.02 0.00 -1.72 0.00 0.00 55.73 52.76 2fxr s ARG 65 Cb -0.11 0.36 0.01 0.00 -0.45 0.00 0.00 34.95 34.76 2fxr s ARG 65 CO 0.08 -0.48 -0.09 0.08 -0.68 0.00 0.00 175.30 174.20 2fxr s VAL 66 N -4.08 0.83 -0.11 3.52 1.01 0.91 -1.88 120.40 120.59 2fxr s VAL 66 Ca 0.30 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2fxr s VAL 66 Cb 0.04 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2fxr s VAL 66 CO 0.09 0.27 -0.20 -1.58 0.00 0.00 0.00 175.10 173.68 2fxr s GLN 67 N 0.50 3.16 0.68 2.72 2.00 -0.27 -0.17 119.66 128.28 2fxr s GLN 67 Ca -0.08 -0.81 -0.02 0.00 -2.00 0.00 0.00 55.36 52.44 2fxr s GLN 67 Cb -0.12 -2.42 0.09 0.00 0.80 0.00 0.00 33.01 31.36 2fxr s GLN 67 CO 0.01 0.17 0.95 -0.51 -0.50 0.00 0.00 175.29 175.41 2fxr s LEU 68 N 0.39 3.02 -0.01 3.68 1.43 -1.26 0.05 118.68 125.98 2fxr s LEU 68 Ca -0.15 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2fxr s LEU 68 Cb -0.17 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 2fxr s LEU 68 CO 0.07 -1.64 0.05 -1.14 0.23 0.00 0.00 176.35 173.92 2fxr n ARG 69 N -2.76 0.00 -4.14 1.70 3.00 -0.93 -4.80 116.66 108.74 2fxr n ARG 69 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.77 2fxr n ARG 69 Cb 0.60 -0.04 -0.16 0.00 0.00 0.00 0.00 32.46 32.86 2fxr n ARG 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2fxr s GLU 70 N 0.13 0.78 0.12 -0.14 2.02 -1.26 -5.04 118.70 115.31 2fxr s GLU 70 Ca 0.03 -0.09 -0.16 0.00 0.02 0.00 0.00 54.97 54.77 2fxr s GLU 70 Cb -0.04 -0.81 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 2fxr s GLU 70 CO 0.02 -0.09 1.58 1.96 0.02 0.00 0.00 175.26 178.76 2fxr h GLN 71 N 7.21 0.61 -4.27 1.61 1.08 -1.94 -3.42 115.11 115.99 2fxr h GLN 71 Ca -0.38 -0.17 -0.53 0.00 -1.45 0.00 0.00 58.65 56.12 2fxr h GLN 71 Cb 1.15 -0.07 -0.36 0.00 -0.05 0.00 0.00 27.48 28.15 2fxr h GLN 71 CO 0.47 0.69 -0.80 -1.01 -0.95 0.00 0.00 178.83 177.22 2fxr s HIS 72 N -5.13 1.49 0.34 2.96 3.76 -1.26 -1.91 115.29 115.53 2fxr s HIS 72 Ca -0.13 -0.73 -0.27 0.00 -0.15 0.00 0.00 55.06 53.78 2fxr s HIS 72 Cb 0.09 -1.22 -0.13 0.00 1.11 0.00 0.00 32.58 32.44 2fxr s HIS 72 CO 0.77 -0.49 1.16 1.28 -0.85 0.00 0.00 174.74 176.60 2fxr n LEU 73 N 4.81 2.84 0.00 0.89 4.77 -0.92 -2.58 117.00 126.82 2fxr n LEU 73 Ca -0.14 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2fxr n LEU 73 Cb 0.50 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2fxr n LEU 73 CO 0.18 -0.94 0.00 -1.22 -1.33 0.00 0.00 177.39 174.08 2fxr n TYR 74 N 0.16 0.00 0.00 -1.77 4.01 -1.26 -4.82 117.16 113.48 2fxr n TYR 74 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2fxr n TYR 74 Cb 0.35 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 2fxr n TYR 74 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2fxr n TYR 75 N -1.47 0.00 -2.68 -0.72 -0.00 -1.06 -3.96 117.16 107.26 2fxr n TYR 75 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.50 2fxr n TYR 75 Cb 0.00 -0.26 0.02 0.00 -0.00 0.00 0.00 39.34 39.09 2fxr n TYR 75 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2fxr n GLN 79 N -1.29 5.26 -2.04 2.98 1.13 -1.26 -5.02 117.38 117.13 2fxr n GLN 79 Ca 0.00 -4.68 -0.42 0.00 -1.94 0.00 0.00 57.00 49.97 2fxr n GLN 79 Cb 0.00 -2.46 -0.03 0.00 0.11 0.00 0.00 30.24 27.87 2fxr n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2fxr s ASP 80 N -1.50 6.69 -0.42 1.08 1.11 -1.25 -4.97 116.67 117.40 2fxr s ASP 80 Ca 0.39 2.60 0.08 0.00 0.18 0.00 0.00 52.55 55.80 2fxr s ASP 80 Cb 0.19 -2.61 0.26 0.00 1.07 0.00 0.00 42.92 41.83 2fxr s ASP 80 CO -0.12 -0.69 0.69 0.00 1.18 0.00 0.00 175.17 176.23 2fxr n GLN 81 N 2.75 0.78 -1.58 8.23 6.02 -1.26 -5.14 117.38 127.19 2fxr n GLN 81 Ca 0.08 -2.72 -0.42 0.00 -0.01 0.00 0.00 57.00 53.93 2fxr n GLN 81 Cb 0.40 -1.33 0.01 0.00 1.02 0.00 0.00 30.24 30.34 2fxr n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2fxr n LEU 82 N 1.28 2.03 -4.20 1.08 4.77 -1.26 -4.76 117.00 115.94 2fxr n LEU 82 Ca 0.17 1.04 -0.30 0.00 -0.03 0.00 0.00 56.01 56.88 2fxr n LEU 82 Cb 0.59 -1.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.21 2fxr n LEU 82 CO 0.13 -1.71 -0.54 -0.76 -1.33 0.00 0.00 177.39 173.18 2fxr s LEU 83 N 0.01 2.01 0.64 2.23 1.43 0.77 -4.89 118.68 120.88 2fxr s LEU 83 Ca 0.63 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 2fxr s LEU 83 Cb -0.59 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2fxr s LEU 83 CO 0.57 0.17 1.08 -2.16 0.23 0.00 0.00 176.35 176.24 2fxr s PRO 84 N 0.22 3.04 -0.19 1.29 0.04 -1.26 -0.06 135.00 138.07 2fxr s PRO 84 Ca -0.13 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 2fxr s PRO 84 Cb -0.16 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2fxr s PRO 84 CO 0.06 -1.04 -0.06 0.08 0.04 0.00 0.00 177.00 176.08 2fxr s VAL 85 N -2.52 3.39 0.10 -0.36 1.01 -1.26 -2.99 120.40 117.77 2fxr s VAL 85 Ca 0.64 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 62.21 2fxr s VAL 85 Cb -0.17 -2.51 -0.11 0.00 0.00 0.00 0.00 36.38 33.59 2fxr s VAL 85 CO 0.42 0.46 1.39 0.77 0.00 0.00 0.00 175.10 178.14 2fxr h SER 86 N 7.53 0.00 -4.61 3.32 4.64 -0.65 -3.46 113.55 120.33 2fxr h SER 86 Ca -0.36 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2fxr h SER 86 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 2fxr h SER 86 CO 0.60 0.81 0.12 -0.60 -0.87 0.00 0.00 176.83 176.88 2fxr s ARG 87 N -2.96 0.93 -0.28 4.77 3.52 -1.07 -4.98 118.95 118.88 2fxr s ARG 87 Ca 0.01 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 2fxr s ARG 87 Cb 0.10 0.44 0.06 0.00 -1.56 0.00 0.00 34.95 33.99 2fxr s ARG 87 CO 0.79 -0.23 -0.06 0.42 -0.81 0.00 0.00 175.30 175.41 2fxr s ILE 88 N -0.60 2.52 -0.39 4.11 1.01 -1.26 -0.87 121.20 125.72 2fxr s ILE 88 Ca -0.07 -1.53 -0.10 0.00 0.00 0.00 0.00 60.65 58.95 2fxr s ILE 88 Cb -0.02 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 40.03 2fxr s ILE 88 CO 0.06 -0.07 0.22 -0.63 0.00 0.00 0.00 174.94 174.53 2fxr s ILE 89 N 1.16 4.34 -0.20 2.92 1.01 0.17 -4.98 121.20 125.61 2fxr s ILE 89 Ca -0.07 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.36 2fxr s ILE 89 Cb -0.20 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2fxr s ILE 89 CO -0.03 -0.36 0.08 -0.69 0.00 0.00 0.00 174.94 173.94 2fxr s VAL 90 N 1.48 4.81 0.06 2.92 1.01 -1.26 -0.43 120.40 128.99 2fxr s VAL 90 Ca 0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 61.98 61.61 2fxr s VAL 90 Cb -0.21 -3.20 -0.16 0.00 0.00 0.00 0.00 36.38 32.81 2fxr s VAL 90 CO 0.04 0.42 1.42 1.57 0.00 0.00 0.00 175.10 178.54 2fxr n HIS 91 N 3.92 1.67 0.30 5.22 -0.00 -1.19 -4.85 115.22 120.29 2fxr n HIS 91 Ca -0.16 0.57 0.17 0.00 0.46 0.00 0.00 57.72 58.76 2fxr n HIS 91 Cb 0.52 -2.38 0.91 0.00 -0.12 0.00 0.00 29.99 28.93 2fxr n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2fxr h PRO 92 N 5.04 0.00 -0.01 1.57 0.13 -1.93 -2.57 132.00 134.24 2fxr h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2fxr h PRO 92 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2fxr h PRO 92 CO 0.81 0.04 -0.02 1.04 -0.23 0.00 0.00 178.00 179.64 2fxr n GLN 93 N -3.47 1.12 -3.04 0.86 6.02 -1.26 -4.87 117.38 112.74 2fxr n GLN 93 Ca -0.02 -0.34 -0.40 0.00 -0.01 0.00 0.00 57.00 56.23 2fxr n GLN 93 Cb 0.16 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 2fxr n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2fxr s PHE 94 N -2.11 3.71 0.00 1.08 5.36 -0.97 -4.77 117.98 120.27 2fxr s PHE 94 Ca 0.40 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 2fxr s PHE 94 Cb 0.21 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2fxr s PHE 94 CO 0.38 0.28 0.00 0.98 -1.46 0.00 0.00 175.22 175.40 2fxr n TYR 95 N 2.85 0.00 -3.86 10.12 9.36 -1.26 -4.88 117.16 129.49 2fxr n TYR 95 Ca -0.03 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.08 2fxr n TYR 95 Cb 0.50 0.23 -0.09 0.00 -0.63 0.00 0.00 39.34 39.36 2fxr n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2fxr s THR 96 N -1.59 0.10 0.31 2.97 -4.23 -1.26 -4.52 115.64 107.42 2fxr s THR 96 Ca 0.00 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2fxr s THR 96 Cb 0.00 -0.71 0.27 0.00 1.34 0.00 0.00 72.50 73.40 2fxr s THR 96 CO 0.00 -0.45 1.96 0.00 -0.54 0.00 0.00 174.62 175.59 2fxr h ALA 97 N 3.82 1.45 0.00 3.99 0.00 -1.97 -2.11 119.26 124.44 2fxr h ALA 97 Ca -0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2fxr h ALA 97 Cb 1.19 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2fxr h ALA 97 CO 0.45 0.49 -0.03 1.96 0.00 0.00 0.00 179.25 182.11 2fxr h GLN 98 N 1.07 0.00 0.12 0.00 7.50 -1.97 -3.05 115.11 118.78 2fxr h GLN 98 Ca 0.31 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.15 2fxr h GLN 98 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 2fxr h GLN 98 CO -0.08 0.03 -1.63 0.82 -1.50 0.00 0.00 178.83 176.47 2fxr h ILE 99 N 0.00 0.87 0.00 2.54 2.04 -1.78 -3.47 117.51 117.71 2fxr h ILE 99 Ca -0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.49 2fxr h ILE 99 Cb 0.42 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2fxr h ILE 99 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.51 2fxr n GLY 100 N 1.80 0.75 3.91 5.37 0.00 -0.91 -4.99 105.19 111.13 2fxr n GLY 100 Ca -0.28 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 2fxr n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxr n ALA 101 N -1.00 -1.55 -2.21 4.61 0.00 -1.26 -4.46 120.51 114.63 2fxr n ALA 101 Ca 0.00 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 2fxr n ALA 101 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.08 2fxr n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fxr n ASP 102 N -2.88 6.49 -3.88 0.00 2.03 -1.26 -4.23 116.55 112.82 2fxr n ASP 102 Ca -0.08 -3.15 -0.11 0.00 0.52 0.00 0.00 54.79 51.98 2fxr n ASP 102 Cb 0.58 -1.41 -0.10 0.00 -0.72 0.00 0.00 41.12 39.46 2fxr n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2fxr s ILE 103 N -0.51 0.08 0.26 5.18 2.07 -1.26 -3.71 121.20 123.32 2fxr s ILE 103 Ca 0.46 -0.68 -0.18 0.00 -1.41 0.00 0.00 60.65 58.83 2fxr s ILE 103 Cb 0.13 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.35 2fxr s ILE 103 CO -0.04 -0.37 0.63 0.00 -1.91 0.00 0.00 174.94 173.25 2fxr s ALA 104 N -1.30 -0.90 0.00 1.50 0.00 -0.12 -3.18 121.76 117.77 2fxr s ALA 104 Ca -0.14 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2fxr s ALA 104 Cb -0.08 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2fxr s ALA 104 CO 0.01 -0.96 -0.13 -0.51 0.00 0.00 0.00 175.76 174.16 2fxr s LEU 105 N -2.95 2.07 -0.15 0.00 1.43 0.43 -1.69 118.68 117.82 2fxr s LEU 105 Ca 0.14 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2fxr s LEU 105 Cb -0.04 -0.66 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 2fxr s LEU 105 CO 0.07 0.12 -0.15 -0.76 0.23 0.00 0.00 176.35 175.86 2fxr s LEU 106 N -0.56 2.52 -0.28 1.79 1.43 0.40 -0.66 118.68 123.31 2fxr s LEU 106 Ca 0.04 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 2fxr s LEU 106 Cb -0.06 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2fxr s LEU 106 CO 0.00 0.10 0.13 -0.70 0.23 0.00 0.00 176.35 176.11 2fxr s GLU 107 N 0.76 3.61 0.50 1.70 2.12 -0.05 -0.65 118.70 126.69 2fxr s GLU 107 Ca -0.06 -0.53 -0.19 0.00 0.36 0.00 0.00 54.97 54.55 2fxr s GLU 107 Cb -0.15 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.65 2fxr s GLU 107 CO 0.01 -0.27 1.03 -0.51 -0.54 0.00 0.00 175.26 174.97 2fxr s LEU 108 N 1.65 3.77 0.31 2.70 1.43 -0.08 0.02 118.68 128.48 2fxr s LEU 108 Ca 0.06 1.85 0.26 0.00 -1.03 0.00 0.00 54.13 55.26 2fxr s LEU 108 Cb -0.16 -4.55 1.06 0.00 0.03 0.00 0.00 46.19 42.57 2fxr s LEU 108 CO 0.07 -0.79 1.76 -0.33 0.23 0.00 0.00 176.35 177.29 2fxr h GLU 109 N 1.32 0.00 -3.53 1.70 5.08 -1.86 -3.41 114.58 113.87 2fxr h GLU 109 Ca -0.49 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 2fxr h GLU 109 Cb 1.21 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 2fxr h GLU 109 CO 0.59 0.00 -0.45 -1.21 -1.00 0.00 0.00 179.01 176.94 2fxr s GLU 110 N -3.39 0.57 0.09 2.33 0.41 -1.26 -5.01 118.70 112.44 2fxr s GLU 110 Ca 0.04 -0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 53.79 2fxr s GLU 110 Cb 0.09 0.24 -0.05 0.00 -1.78 0.00 0.00 34.13 32.63 2fxr s GLU 110 CO 0.42 -0.15 1.00 -2.14 -0.49 0.00 0.00 175.26 173.90 2fxr s PRO 111 N -1.89 4.63 0.39 0.39 0.02 -1.26 -4.71 135.00 132.56 2fxr s PRO 111 Ca -0.11 1.50 -0.22 0.00 0.02 0.00 0.00 61.00 62.20 2fxr s PRO 111 Cb -0.05 -3.38 -0.11 0.00 0.02 0.00 0.00 34.50 30.98 2fxr s PRO 111 CO -0.01 0.09 0.93 0.14 -0.33 0.00 0.00 177.00 177.82 2fxr s VAL 112 N 0.32 4.36 -0.78 3.83 -7.23 0.71 -4.97 120.40 116.65 2fxr s VAL 112 Ca 0.50 1.54 -0.23 0.00 -1.81 0.00 0.00 61.98 61.97 2fxr s VAL 112 Cb -0.24 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.05 2fxr s VAL 112 CO 0.30 -0.18 1.16 -0.54 -0.31 0.00 0.00 175.10 175.53 2fxr s LYS 113 N -2.85 3.28 1.01 4.82 -0.14 -1.26 -4.82 119.74 119.78 2fxr s LYS 113 Ca 0.58 -0.82 -0.16 0.00 -1.36 0.00 0.00 55.97 54.21 2fxr s LYS 113 Cb -0.12 -4.49 0.01 0.00 -1.68 0.00 0.00 37.83 31.56 2fxr s LYS 113 CO 0.16 -1.98 0.01 1.33 -0.76 0.00 0.00 175.35 174.11 2fxr n VAL 114 N 6.16 0.00 -3.91 3.17 0.24 -1.26 -4.93 118.33 117.80 2fxr n VAL 114 Ca 0.08 -0.25 -0.02 0.00 -2.04 0.00 0.00 64.34 62.11 2fxr n VAL 114 Cb 0.48 -0.49 0.02 0.00 -1.47 0.00 0.00 33.84 32.38 2fxr n VAL 114 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2fxr s SER 115 N -1.77 0.01 0.45 -1.34 1.04 -0.04 -4.92 113.70 107.13 2fxr s SER 115 Ca 0.53 -0.60 0.19 0.00 0.48 0.00 0.00 55.95 56.55 2fxr s SER 115 Cb -0.16 0.43 1.09 0.00 0.10 0.00 0.00 66.02 67.48 2fxr s SER 115 CO 0.69 -0.87 1.97 -1.28 0.98 0.00 0.00 173.24 174.74 2fxr h SER 116 N 2.00 0.00 0.15 7.02 0.87 -2.01 -2.84 113.55 118.73 2fxr h SER 116 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2fxr h SER 116 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2fxr h SER 116 CO 0.35 0.21 -1.23 1.57 -0.53 0.00 0.00 176.83 177.20 2fxr n HIS 117 N -3.98 0.08 -3.36 2.24 -0.00 -1.26 -4.82 115.22 104.13 2fxr n HIS 117 Ca -0.02 0.02 -0.15 0.00 -0.00 0.00 0.00 57.72 57.58 2fxr n HIS 117 Cb 0.29 -0.26 -0.08 0.00 -0.00 0.00 0.00 29.99 29.94 2fxr n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2fxr s VAL 118 N -3.19 -0.44 0.21 3.57 1.01 -1.07 -4.57 120.40 115.92 2fxr s VAL 118 Ca 0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2fxr s VAL 118 Cb 0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2fxr s VAL 118 CO 0.85 -0.47 0.23 -1.38 0.00 0.00 0.00 175.10 174.34 2fxr s HIS 119 N 1.98 0.88 0.75 5.22 -3.43 -1.09 -0.87 115.29 118.74 2fxr s HIS 119 Ca 0.13 -1.16 -0.11 0.00 -0.80 0.00 0.00 55.06 53.12 2fxr s HIS 119 Cb -0.14 -0.32 0.05 0.00 -1.43 0.00 0.00 32.58 30.74 2fxr s HIS 119 CO -0.19 -0.74 1.09 0.95 -2.00 0.00 0.00 174.74 173.86 2fxr s THR 120 N -4.10 3.32 0.31 -5.38 -4.23 -1.26 -3.21 115.64 101.09 2fxr s THR 120 Ca 0.32 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 61.36 2fxr s THR 120 Cb 0.05 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 2fxr s THR 120 CO 0.10 -0.52 0.43 0.54 -0.54 0.00 0.00 174.62 174.62 2fxr s VAL 121 N -2.79 4.28 -0.05 2.29 0.11 0.16 -4.87 120.40 119.53 2fxr s VAL 121 Ca 0.62 -1.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2fxr s VAL 121 Cb -0.18 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2fxr s VAL 121 CO 0.53 -0.20 0.14 -0.89 -3.33 0.00 0.00 175.10 171.36 2fxr s THR 122 N -2.14 5.29 0.29 5.04 2.01 -1.19 -4.62 115.64 120.31 2fxr s THR 122 Ca 0.42 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 2fxr s THR 122 Cb -0.09 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 2fxr s THR 122 CO 0.30 0.43 0.82 -0.76 -0.69 0.00 0.00 174.62 174.72 2fxr s LEU 123 N -1.58 4.27 0.52 4.42 1.43 -1.26 -1.27 118.68 125.22 2fxr s LEU 123 Ca 0.22 1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 54.71 2fxr s LEU 123 Cb -0.12 -3.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.15 2fxr s LEU 123 CO 0.13 -0.06 1.01 -2.16 0.23 0.00 0.00 176.35 175.50 2fxr s PRO 124 N -2.23 3.76 0.51 1.29 0.04 -1.26 -4.86 135.00 132.25 2fxr s PRO 124 Ca 0.48 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 2fxr s PRO 124 Cb -0.16 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2fxr s PRO 124 CO 0.21 -0.44 1.20 -2.14 0.04 0.00 0.00 177.00 175.87 2fxr s PRO 125 N -3.77 3.44 0.47 0.56 0.02 -1.26 -4.85 135.00 129.61 2fxr s PRO 125 Ca 0.63 1.84 0.27 0.00 0.02 0.00 0.00 61.00 63.76 2fxr s PRO 125 Cb -0.13 -2.23 1.33 0.00 0.02 0.00 0.00 34.50 33.49 2fxr s PRO 125 CO 0.28 -0.83 1.79 0.00 -0.33 0.00 0.00 177.00 177.91 2fxr h ALA 126 N 1.60 2.67 -0.01 -1.55 0.00 -1.94 0.37 119.26 120.39 2fxr h ALA 126 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fxr h ALA 126 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2fxr h ALA 126 CO 0.58 -1.04 -0.17 -1.13 0.00 0.00 0.00 179.25 177.49 2fxr n SER 127 N -4.42 0.83 -4.74 0.00 3.41 -1.26 -4.92 113.62 102.52 2fxr n SER 127 Ca 0.25 -0.82 -0.41 0.00 -0.26 0.00 0.00 58.87 57.63 2fxr n SER 127 Cb 1.06 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 65.02 2fxr n SER 127 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fxr s GLU 128 N -2.44 4.32 -0.24 4.33 2.56 0.13 -5.01 118.70 122.35 2fxr s GLU 128 Ca 0.28 2.20 -0.01 0.00 0.00 0.00 0.00 54.97 57.44 2fxr s GLU 128 Cb 0.20 -3.14 0.07 0.00 2.00 0.00 0.00 34.13 33.26 2fxr s GLU 128 CO 0.48 -0.34 0.04 0.99 -0.56 0.00 0.00 175.26 175.87 2fxr s THR 129 N -0.02 0.83 -0.48 -1.70 2.01 -1.26 -4.94 115.64 110.08 2fxr s THR 129 Ca 0.58 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 2fxr s THR 129 Cb -0.40 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 70.73 2fxr s THR 129 CO 0.42 -0.35 1.52 -0.36 -0.69 0.00 0.00 174.62 175.17 2fxr s PHE 130 N 1.69 2.17 0.31 4.92 0.08 -1.26 -4.96 117.98 120.95 2fxr s PHE 130 Ca 0.02 0.60 -0.29 0.00 0.12 0.00 0.00 56.93 57.37 2fxr s PHE 130 Cb -0.17 -4.29 -0.12 0.00 -0.57 0.00 0.00 43.02 37.86 2fxr s PHE 130 CO -0.13 -2.17 1.46 -0.35 -0.10 0.00 0.00 175.22 173.93 2fxr n PRO 131 N 8.50 2.43 -1.68 0.24 -0.04 -1.26 -4.89 135.00 138.29 2fxr n PRO 131 Ca 0.16 0.86 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 2fxr n PRO 131 Cb 0.49 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 2fxr n PRO 131 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2fxr n PRO 132 N 1.34 2.70 0.00 0.54 -0.04 -1.26 -1.00 135.00 137.27 2fxr n PRO 132 Ca 0.06 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 2fxr n PRO 132 Cb 0.36 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 2fxr n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fxr n GLY 133 N 4.31 1.02 3.68 0.55 0.00 -0.07 -4.94 105.19 109.75 2fxr n GLY 133 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 2fxr n GLY 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2fxr n MET 134 N -0.54 2.14 -2.43 1.61 1.56 -0.17 -4.64 117.12 114.65 2fxr n MET 134 Ca 0.00 0.76 -0.41 0.00 -0.27 0.00 0.00 57.70 57.78 2fxr n MET 134 Cb 0.00 -2.45 -0.03 0.00 2.15 0.00 0.00 33.22 32.89 2fxr n MET 134 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2fxr s PRO 135 N -0.28 3.29 0.31 2.12 0.02 -1.26 -2.58 135.00 136.61 2fxr s PRO 135 Ca 0.69 0.33 0.09 0.00 0.02 0.00 0.00 61.00 62.12 2fxr s PRO 135 Cb -0.63 -4.13 -0.06 0.00 0.02 0.00 0.00 34.50 29.70 2fxr s PRO 135 CO 0.48 -1.97 -0.09 0.00 -0.33 0.00 0.00 177.00 175.10 2fxr s TRP 137 N -2.77 1.47 -0.06 0.00 0.52 0.95 -1.00 118.94 118.05 2fxr s TRP 137 Ca 0.31 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.20 2fxr s TRP 137 Cb 0.02 -0.94 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 2fxr s TRP 137 CO 0.14 -0.02 -0.23 0.54 0.02 0.00 0.00 176.95 177.40 2fxr s VAL 138 N -0.39 1.92 0.19 4.03 0.11 -0.99 -0.91 120.40 124.35 2fxr s VAL 138 Ca 0.06 -0.98 0.10 0.00 -2.93 0.00 0.00 61.98 58.24 2fxr s VAL 138 Cb -0.06 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2fxr s VAL 138 CO -0.01 0.53 -0.22 0.42 -3.33 0.00 0.00 175.10 172.50 2fxr s THR 139 N -0.01 2.17 0.00 5.04 -4.23 -1.20 -2.33 115.64 115.09 2fxr s THR 139 Ca -0.07 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2fxr s THR 139 Cb -0.14 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2fxr s THR 139 CO 0.04 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2fxr n GLY 140 N 0.23 -0.18 0.88 3.99 0.00 -0.90 -4.46 105.19 104.75 2fxr n GLY 140 Ca -0.12 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.77 2fxr n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fxr n TRP 141 N -0.84 0.93 -1.24 1.61 8.01 -1.26 -1.79 117.44 122.86 2fxr n TRP 141 Ca 0.00 -0.90 -0.30 0.00 -1.31 0.00 0.00 57.50 54.99 2fxr n TRP 141 Cb 0.00 -0.32 0.24 0.00 -2.01 0.00 0.00 31.31 29.22 2fxr n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2fxr s GLY 142 N -1.98 1.63 0.40 6.99 0.00 -1.25 -4.68 107.32 108.43 2fxr s GLY 142 Ca 0.42 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 2fxr s GLY 142 CO 0.08 -0.17 1.08 1.22 0.00 0.00 0.00 173.10 175.31 2fxr n ASP 143 N -4.63 1.60 -0.09 1.64 9.92 0.21 -2.14 116.55 123.06 2fxr n ASP 143 Ca 0.14 1.07 0.15 0.00 -0.53 0.00 0.00 54.79 55.63 2fxr n ASP 143 Cb 0.60 -1.38 0.79 0.00 -0.64 0.00 0.00 41.12 40.49 2fxr n ASP 143 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2fxr n VAL 144 N -0.32 0.00 0.00 2.53 0.24 -0.82 -0.38 118.33 119.58 2fxr n VAL 144 Ca 0.09 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2fxr n VAL 144 Cb 0.38 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 2fxr n VAL 144 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fxr n ASP 145 N -0.86 0.00 -4.46 -1.34 -0.08 -1.23 -4.37 116.55 104.21 2fxr n ASP 145 Ca 0.20 0.00 -0.57 0.00 -1.51 0.00 0.00 54.79 52.91 2fxr n ASP 145 Cb 0.20 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.57 2fxr n ASP 145 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2fxr n ASN 146 N 0.00 1.63 -0.67 1.67 3.02 -1.26 -0.92 115.26 118.73 2fxr n ASN 146 Ca 0.00 0.71 -0.09 0.00 -0.03 0.00 0.00 54.58 55.17 2fxr n ASN 146 Cb 0.00 -1.08 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 2fxr n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2fxr n ASP 147 N 7.62 -5.06 -3.92 6.41 9.92 -1.26 -4.98 116.55 125.29 2fxr n ASP 147 Ca 0.42 0.22 -0.30 0.00 -0.53 0.00 0.00 54.79 54.60 2fxr n ASP 147 Cb 0.09 -3.33 -0.15 0.00 -0.64 0.00 0.00 41.12 37.09 2fxr n ASP 147 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2fxr s GLU 149 N -2.52 1.48 0.98 -1.24 -1.05 -0.10 -5.11 118.70 111.14 2fxr s GLU 149 Ca 0.00 -1.06 -0.13 0.00 -0.15 0.00 0.00 54.97 53.63 2fxr s GLU 149 Cb 0.00 -2.57 0.07 0.00 -0.44 0.00 0.00 34.13 31.19 2fxr s GLU 149 CO 0.00 -0.67 0.47 0.54 0.95 0.00 0.00 175.26 176.55 2fxr n ARG 150 N 4.66 -0.59 -0.01 -4.83 5.12 -1.26 -1.95 116.66 117.80 2fxr n ARG 150 Ca -0.09 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 2fxr n ARG 150 Cb 0.44 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 2fxr n ARG 150 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2fxr n LEU 151 N -1.90 0.00 -0.20 0.55 7.94 -1.26 -4.38 117.00 117.75 2fxr n LEU 151 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2fxr n LEU 151 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2fxr n LEU 151 CO 0.51 -0.14 0.00 -0.81 -1.11 0.00 0.00 177.39 175.84 2fxr n PRO 152 N -0.27 0.00 -2.82 1.96 -0.04 -1.26 -4.99 135.00 127.58 2fxr n PRO 152 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2fxr n PRO 152 Cb 0.00 -0.41 0.05 0.00 -0.04 0.00 0.00 33.50 33.10 2fxr n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fxr n PHE 153 N 0.00 -1.65 -1.75 0.54 3.72 -1.26 -3.87 117.46 113.18 2fxr n PHE 153 Ca 0.00 0.62 -0.33 0.00 -0.05 0.00 0.00 57.45 57.69 2fxr n PHE 153 Cb 0.00 -3.82 0.05 0.00 -0.94 0.00 0.00 39.48 34.77 2fxr n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fxr s PRO 154 N -4.32 2.75 -0.31 -1.08 0.04 -1.26 -2.16 135.00 128.66 2fxr s PRO 154 Ca 0.21 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 2fxr s PRO 154 Cb -0.03 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2fxr s PRO 154 CO 0.51 -1.30 1.08 -1.17 0.04 0.00 0.00 177.00 176.16 2fxr s LEU 155 N -4.82 3.94 0.52 -3.56 2.96 -0.80 -4.79 118.68 112.13 2fxr s LEU 155 Ca 0.68 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.68 2fxr s LEU 155 Cb -0.22 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 42.95 2fxr s LEU 155 CO 0.41 -0.87 0.73 -0.54 -1.32 0.00 0.00 176.35 174.76 2fxr s LYS 156 N 3.63 2.70 0.06 1.98 1.02 -0.74 -0.50 119.74 127.89 2fxr s LYS 156 Ca 0.46 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 2fxr s LYS 156 Cb -0.12 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2fxr s LYS 156 CO 0.15 -0.57 0.39 1.14 -0.92 0.00 0.00 175.35 175.54 2fxr s GLN 157 N -4.68 0.93 -0.17 1.68 -2.07 -0.64 -2.13 119.66 112.59 2fxr s GLN 157 Ca 0.55 -0.48 -0.23 0.00 -1.82 0.00 0.00 55.36 53.38 2fxr s GLN 157 Cb -0.10 0.41 0.06 0.00 -1.09 0.00 0.00 33.01 32.29 2fxr s GLN 157 CO 0.38 -0.33 0.60 0.54 -1.32 0.00 0.00 175.29 175.17 2fxr s VAL 158 N -2.82 0.01 -0.37 3.63 0.11 -0.98 -1.32 120.40 118.66 2fxr s VAL 158 Ca -0.03 -0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.73 2fxr s VAL 158 Cb -0.00 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2fxr s VAL 158 CO -0.05 -0.02 0.85 -0.75 -3.33 0.00 0.00 175.10 171.79 2fxr s LYS 159 N -0.21 3.77 -0.12 1.54 2.20 -1.26 -2.35 119.74 123.31 2fxr s LYS 159 Ca -0.04 0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 2fxr s LYS 159 Cb -0.03 -3.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 2fxr s LYS 159 CO 0.03 -0.91 -0.18 0.14 -0.36 0.00 0.00 175.35 174.07 2fxr s VAL 160 N 3.28 2.59 -0.05 4.02 -7.23 -0.17 -4.92 120.40 117.93 2fxr s VAL 160 Ca 0.34 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 2fxr s VAL 160 Cb -0.13 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2fxr s VAL 160 CO 0.18 0.54 0.95 -2.16 -0.31 0.00 0.00 175.10 174.31 2fxr s PRO 161 N 0.38 4.49 0.63 4.82 0.04 -1.26 -2.91 135.00 141.18 2fxr s PRO 161 Ca -0.14 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 2fxr s PRO 161 Cb -0.17 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 2fxr s PRO 161 CO 0.07 -0.15 1.21 0.42 0.04 0.00 0.00 177.00 178.59 2fxr s ILE 162 N 1.40 2.54 0.04 0.56 1.01 -1.07 -2.21 121.20 123.47 2fxr s ILE 162 Ca 0.49 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2fxr s ILE 162 Cb -0.19 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 2fxr s ILE 162 CO 0.23 -0.09 -0.09 -0.04 0.00 0.00 0.00 174.94 174.95 2fxr s MET 163 N -3.48 0.58 0.20 2.79 -1.94 -0.20 -0.89 119.30 116.36 2fxr s MET 163 Ca 0.77 -0.68 -0.33 0.00 -1.71 0.00 0.00 55.69 53.74 2fxr s MET 163 Cb -0.30 -0.43 -0.14 0.00 2.01 0.00 0.00 34.83 35.96 2fxr s MET 163 CO 0.36 0.09 1.49 -1.91 -0.01 0.00 0.00 175.02 175.04 2fxr n GLU 164 N 1.75 2.06 -0.27 2.03 2.13 -1.26 -4.21 120.64 122.87 2fxr n GLU 164 Ca -0.20 0.74 0.08 0.00 0.66 0.00 0.00 57.16 58.44 2fxr n GLU 164 Cb 0.55 -2.45 0.22 0.00 0.27 0.00 0.00 31.44 30.03 2fxr n GLU 164 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2fxr h ASN 165 N 5.02 -0.01 -0.27 4.31 -1.24 -1.93 -1.21 115.58 120.25 2fxr h ASN 165 Ca -0.45 0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.66 2fxr h ASN 165 Cb 1.27 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.54 2fxr h ASN 165 CO 0.82 -0.08 -0.08 -0.74 -1.29 0.00 0.00 177.43 176.06 2fxr h HIS 166 N 0.25 0.59 -0.03 0.67 2.76 -1.93 -2.16 115.15 115.31 2fxr h HIS 166 Ca 0.46 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.51 2fxr h HIS 166 Cb 0.85 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2fxr h HIS 166 CO -0.27 0.74 0.02 0.97 -1.30 0.00 0.00 177.93 178.09 2fxr h ILE 167 N 0.27 0.71 0.18 6.26 -0.00 -1.63 -0.95 117.51 122.36 2fxr h ILE 167 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 64.86 64.68 2fxr h ILE 167 Cb 0.56 0.98 0.03 0.00 -0.00 0.00 0.00 36.82 38.39 2fxr h ILE 167 CO 0.03 0.00 -1.09 0.00 -0.00 0.00 0.00 178.15 177.09 2fxr h ASP 169 N -0.14 0.27 -0.02 0.00 3.58 -0.82 -0.57 116.42 118.71 2fxr h ASP 169 Ca -0.19 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.31 2fxr h ASP 169 Cb 1.86 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.91 2fxr h ASP 169 CO 0.20 0.18 -0.01 0.00 -2.88 0.00 0.00 179.24 176.74 2fxr h ALA 170 N 1.31 0.01 -0.86 -0.78 0.00 -1.25 -2.52 119.26 115.17 2fxr h ALA 170 Ca 0.23 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2fxr h ALA 170 Cb 0.21 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2fxr h ALA 170 CO -0.21 -0.50 0.46 0.87 0.00 0.00 0.00 179.25 179.88 2fxr h LYS 171 N -0.01 0.67 0.00 0.00 1.57 -0.70 -0.06 116.57 118.04 2fxr h LYS 171 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2fxr h LYS 171 Cb 0.03 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2fxr h LYS 171 CO -0.03 0.44 0.00 0.66 -0.57 0.00 0.00 179.45 179.96 2fxr n TYR 172 N -4.82 0.49 0.39 -1.35 4.01 -0.31 -2.21 117.16 113.36 2fxr n TYR 172 Ca 0.16 0.20 0.12 0.00 -0.16 0.00 0.00 57.90 58.22 2fxr n TYR 172 Cb 0.39 -0.82 0.08 0.00 -0.31 0.00 0.00 39.34 38.68 2fxr n TYR 172 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2fxr n HIS 173 N -1.95 0.65 -2.17 -0.72 8.25 -0.04 -4.66 115.22 114.57 2fxr n HIS 173 Ca 0.02 0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 2fxr n HIS 173 Cb 0.18 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.54 2fxr n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fxr s LEU 173 N -4.59 4.32 -0.41 2.41 1.43 -0.94 -1.67 118.68 119.22 2fxr s LEU 173 Ca 0.03 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2fxr s LEU 173 Cb 0.12 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2fxr s LEU 173 CO 0.76 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2fxr n GLY 173 N 3.72 0.49 3.10 -3.19 0.00 -1.26 -5.02 105.19 103.03 2fxr n GLY 173 Ca 0.14 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 2fxr n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxr s ALA 173 N -2.18 0.93 -0.47 4.61 0.00 -0.67 -5.03 121.76 118.95 2fxr s ALA 173 Ca 0.00 -0.71 0.26 0.00 0.00 0.00 0.00 51.96 51.50 2fxr s ALA 173 Cb 0.00 -0.13 0.72 0.00 0.00 0.00 0.00 23.12 23.71 2fxr s ALA 173 CO 0.00 0.15 1.73 1.88 0.00 0.00 0.00 175.76 179.53 2fxr h TYR 173 N 5.03 0.00 -2.58 0.00 0.05 -1.95 -3.46 116.97 114.05 2fxr h TYR 173 Ca -0.36 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.86 2fxr h TYR 173 Cb 1.19 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.99 2fxr h TYR 173 CO 0.53 0.00 0.82 2.41 -1.05 0.00 0.00 178.16 180.87 2fxr n THR 173 N -2.71 0.34 0.00 -2.88 -1.04 -1.26 -5.18 114.28 101.56 2fxr n THR 173 Ca 0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2fxr n THR 173 Cb 0.43 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 2fxr n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fxr n GLY 173 N 3.09 -3.57 0.00 3.41 0.00 -1.26 -4.95 105.19 101.92 2fxr n GLY 173 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2fxr n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fxr n ASP 173 N 0.00 0.00 -4.38 1.61 9.92 -1.26 -4.78 116.55 117.66 2fxr n ASP 173 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 2fxr n ASP 173 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2fxr n ASP 173 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2fxr s VAL 173 N 0.00 4.29 0.14 2.53 1.01 -1.26 -5.07 120.40 122.03 2fxr s VAL 173 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 2fxr s VAL 173 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 2fxr s VAL 173 CO 0.00 -0.01 1.81 -0.13 0.00 0.00 0.00 175.10 176.77 2fxr s ARG 174 N 1.54 4.14 -0.13 2.72 1.81 -1.26 -4.90 118.95 122.87 2fxr s ARG 174 Ca 0.03 2.60 -0.08 0.00 -1.72 0.00 0.00 55.73 56.55 2fxr s ARG 174 Cb -0.18 -3.51 -0.06 0.00 -0.45 0.00 0.00 34.95 30.76 2fxr s ARG 174 CO 0.05 -0.83 -0.20 -0.89 -0.68 0.00 0.00 175.30 172.75 2fxr n ILE 175 N 4.61 0.98 -3.24 1.52 5.41 -1.26 -4.85 119.36 122.53 2fxr n ILE 175 Ca 0.17 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 2fxr n ILE 175 Cb 0.38 -1.78 -0.08 0.00 -0.71 0.00 0.00 39.64 37.44 2fxr n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fxr s VAL 176 N -2.33 5.00 0.65 1.39 1.01 -1.26 -4.97 120.40 119.88 2fxr s VAL 176 Ca -0.20 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2fxr s VAL 176 Cb 0.07 -4.01 0.08 0.00 0.00 0.00 0.00 36.38 32.51 2fxr s VAL 176 CO 0.26 -0.32 0.91 -0.13 0.00 0.00 0.00 175.10 175.82 2fxr s ARG 177 N 2.40 2.08 0.50 2.72 0.52 -1.26 -4.78 118.95 121.13 2fxr s ARG 177 Ca 0.18 -0.87 0.25 0.00 -0.52 0.00 0.00 55.73 54.77 2fxr s ARG 177 Cb -0.16 -2.37 1.30 0.00 0.52 0.00 0.00 34.95 34.25 2fxr s ARG 177 CO 0.14 -1.13 2.02 -0.44 0.02 0.00 0.00 175.30 175.91 2fxr h ASP 178 N -0.30 0.00 -0.27 0.23 3.32 -1.97 -2.40 116.42 115.03 2fxr h ASP 178 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2fxr h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2fxr h ASP 178 CO 0.47 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2fxr n ASP 179 N -3.68 1.58 -4.61 6.45 5.75 -1.26 -4.86 116.55 115.93 2fxr n ASP 179 Ca -0.02 -2.03 -0.27 0.00 -0.01 0.00 0.00 54.79 52.46 2fxr n ASP 179 Cb 0.28 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 40.04 2fxr n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fxr s MET 180 N -1.64 1.94 0.08 0.11 -1.94 -0.90 -0.58 119.30 116.37 2fxr s MET 180 Ca 0.18 -2.03 -0.15 0.00 -1.71 0.00 0.00 55.69 51.99 2fxr s MET 180 Cb 0.10 -1.69 0.02 0.00 2.01 0.00 0.00 34.83 35.27 2fxr s MET 180 CO 0.12 0.00 0.34 -0.48 -0.01 0.00 0.00 175.02 174.99 2fxr s LEU 181 N -3.69 0.72 0.13 -0.03 0.05 0.70 -4.61 118.68 111.94 2fxr s LEU 181 Ca 0.35 -0.27 0.04 0.00 0.05 0.00 0.00 54.13 54.30 2fxr s LEU 181 Cb 0.07 1.54 -0.04 0.00 -2.05 0.00 0.00 46.19 45.71 2fxr s LEU 181 CO 0.18 -0.72 -0.10 0.00 -0.55 0.00 0.00 176.35 175.15 2fxr s ALA 183 N -3.04 -1.68 0.00 0.00 0.00 -0.67 -1.03 121.76 115.34 2fxr s ALA 183 Ca 0.13 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2fxr s ALA 183 Cb 0.01 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2fxr s ALA 183 CO 0.01 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2fxr n GLY 184 N -0.16 1.80 0.00 0.00 0.00 -0.94 -1.77 105.19 104.12 2fxr n GLY 184 Ca -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2fxr n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fxr n ASN 185 N 0.00 0.00 0.00 1.61 0.23 0.02 -4.66 115.26 112.46 2fxr n ASN 185 Ca 0.00 -0.01 0.09 0.00 -0.53 0.00 0.00 54.58 54.13 2fxr n ASN 185 Cb 0.00 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.23 2fxr n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2fxr n THR 186 N 0.00 0.00 0.00 5.53 -2.24 -1.26 -3.18 114.28 113.13 2fxr n THR 186 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2fxr n THR 186 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2fxr n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fxr n ARG 187 N -0.94 2.40 -4.16 -0.78 1.74 -1.26 -4.83 116.66 108.83 2fxr n ARG 187 Ca 0.13 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 2fxr n ARG 187 Cb 0.06 -0.80 -0.17 0.00 -1.02 0.00 0.00 32.46 30.53 2fxr n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fxr s ARG 188 N -1.27 1.79 0.02 5.56 0.52 -1.19 -3.54 118.95 120.84 2fxr s ARG 188 Ca 0.00 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2fxr s ARG 188 Cb 0.00 -1.67 0.10 0.00 0.52 0.00 0.00 34.95 33.90 2fxr s ARG 188 CO 0.00 -0.16 1.09 0.34 0.02 0.00 0.00 175.30 176.58 2fxr s ASP 189 N 1.32 -0.17 0.24 0.23 -1.08 -1.00 -0.80 116.67 115.41 2fxr s ASP 189 Ca -0.01 -0.18 0.03 0.00 -0.52 0.00 0.00 52.55 51.86 2fxr s ASP 189 Cb -0.14 0.31 -0.03 0.00 -1.46 0.00 0.00 42.92 41.60 2fxr s ASP 189 CO -0.05 -0.56 0.39 -0.94 0.52 0.00 0.00 175.17 174.53 2fxr s SER 190 N -2.75 6.33 0.32 -0.34 1.04 -1.26 0.13 113.70 117.16 2fxr s SER 190 Ca 0.11 0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.81 2fxr s SER 190 Cb 0.01 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 2fxr s SER 190 CO -0.03 -0.09 0.29 0.00 0.98 0.00 0.00 173.24 174.39 2fxr n GLN 192 N -0.59 0.61 0.00 0.00 3.00 -1.26 -0.67 117.38 118.47 2fxr n GLN 192 Ca 0.06 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2fxr n GLN 192 Cb 0.63 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 29.05 2fxr n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fxr n GLY 193 N 3.93 2.21 0.03 1.08 0.00 -1.26 -0.62 105.19 110.56 2fxr n GLY 193 Ca 0.28 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2fxr n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fxr n ASP 194 N 0.00 0.62 -4.53 1.61 8.00 0.15 -3.91 116.55 118.49 2fxr n ASP 194 Ca 0.00 -0.21 -0.45 0.00 0.71 0.00 0.00 54.79 54.84 2fxr n ASP 194 Cb 0.00 0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 2fxr n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2fxr n SER 195 N -1.80 0.52 0.00 -2.24 7.64 -1.26 -0.67 113.62 115.80 2fxr n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2fxr n SER 195 Cb 0.39 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2fxr n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fxr n GLY 196 N 1.45 2.82 3.70 0.23 0.00 -0.23 0.11 105.19 113.26 2fxr n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2fxr n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fxr s GLY 197 N -1.64 1.56 0.29 -0.02 0.00 0.15 -3.02 107.32 104.65 2fxr s GLY 197 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 2fxr s GLY 197 CO 0.00 0.18 0.56 2.56 0.00 0.00 0.00 173.10 176.40 2fxr s PRO 198 N -5.05 3.64 -0.30 2.90 0.04 -1.26 -0.67 135.00 134.29 2fxr s PRO 198 Ca 0.65 0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.72 2fxr s PRO 198 Cb -0.18 -2.64 0.09 0.00 0.04 0.00 0.00 34.50 31.81 2fxr s PRO 198 CO 0.56 0.21 0.04 -1.17 0.04 0.00 0.00 177.00 176.69 2fxr s LEU 199 N -3.55 3.27 0.10 -3.56 2.96 -0.80 -3.23 118.68 113.88 2fxr s LEU 199 Ca 0.44 -1.71 0.04 0.00 -0.22 0.00 0.00 54.13 52.68 2fxr s LEU 199 Cb -0.11 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2fxr s LEU 199 CO 0.30 -0.36 0.05 0.68 -1.32 0.00 0.00 176.35 175.70 2fxr s VAL 200 N 1.29 4.27 -0.01 1.68 -7.23 -0.09 -0.55 120.40 119.76 2fxr s VAL 200 Ca 0.06 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2fxr s VAL 200 Cb -0.18 -3.07 -0.00 0.00 0.56 0.00 0.00 36.38 33.68 2fxr s VAL 200 CO -0.14 0.07 -0.06 0.00 -0.31 0.00 0.00 175.10 174.67 2fxr s LYS 202 N -0.06 3.77 -0.21 0.00 2.20 -1.26 -1.54 119.74 122.64 2fxr s LYS 202 Ca 0.01 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2fxr s LYS 202 Cb -0.03 -3.81 0.02 0.00 -1.51 0.00 0.00 37.83 32.50 2fxr s LYS 202 CO -0.00 -0.89 -0.15 0.08 -0.36 0.00 0.00 175.35 174.03 2fxr s VAL 203 N 3.24 2.33 -1.22 4.02 1.01 0.71 -4.73 120.40 125.75 2fxr s VAL 203 Ca 0.34 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2fxr s VAL 203 Cb -0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2fxr s VAL 203 CO 0.18 0.38 0.71 -3.20 0.00 0.00 0.00 175.10 173.17 2fxr n ASN 204 N 4.61 -3.41 -3.64 3.32 5.15 -1.26 -2.76 115.26 117.26 2fxr n ASN 204 Ca -0.19 -0.94 -0.21 0.00 -0.60 0.00 0.00 54.58 52.64 2fxr n ASN 204 Cb 0.48 -3.65 0.05 0.00 -0.53 0.00 0.00 39.78 36.13 2fxr n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fxr n GLY 205 N -1.67 -0.35 3.63 8.20 0.00 -1.26 -5.01 105.19 108.74 2fxr n GLY 205 Ca -0.19 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2fxr n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fxr s THR 206 N -3.52 0.00 -0.20 2.61 -4.23 -1.11 -5.15 115.64 104.03 2fxr s THR 206 Ca 0.11 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.39 2fxr s THR 206 Cb -0.05 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.77 2fxr s THR 206 CO 0.79 0.00 0.72 0.26 -0.54 0.00 0.00 174.62 175.85 2fxr s TRP 207 N 0.08 3.37 -0.08 3.99 0.52 -1.26 -0.21 118.94 125.34 2fxr s TRP 207 Ca 0.03 1.05 0.04 0.00 0.02 0.00 0.00 56.10 57.24 2fxr s TRP 207 Cb -0.05 -2.91 -0.01 0.00 -1.15 0.00 0.00 33.47 29.36 2fxr s TRP 207 CO -0.06 -0.25 -0.22 -0.51 0.02 0.00 0.00 176.95 175.92 2fxr s LEU 208 N 2.21 2.21 -0.49 2.99 1.43 -0.59 -3.18 118.68 123.25 2fxr s LEU 208 Ca 0.32 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 2fxr s LEU 208 Cb -0.16 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2fxr s LEU 208 CO 0.10 0.21 1.11 -1.58 0.23 0.00 0.00 176.35 176.42 2fxr s GLN 209 N 0.05 3.66 0.04 1.70 0.74 -0.40 -1.46 119.66 124.00 2fxr s GLN 209 Ca -0.09 0.44 0.18 0.00 0.05 0.00 0.00 55.36 55.94 2fxr s GLN 209 Cb -0.15 -3.93 -0.15 0.00 1.10 0.00 0.00 33.01 29.88 2fxr s GLN 209 CO 0.06 -1.41 0.74 0.00 -0.55 0.00 0.00 175.29 174.13 2fxr n ALA 210 N 7.83 2.06 -2.72 1.58 0.00 0.28 -4.19 120.51 125.35 2fxr n ALA 210 Ca 0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 2fxr n ALA 210 Cb 0.49 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 2fxr n ALA 210 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fxr s GLY 211 N -4.78 0.95 -0.12 0.00 0.00 -1.04 -2.08 107.32 100.26 2fxr s GLY 211 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2fxr s GLY 211 CO 0.82 -0.99 -0.11 0.14 0.00 0.00 0.00 173.10 172.96 2fxr s VAL 212 N -4.08 1.26 -0.28 1.40 1.01 -1.04 -1.90 120.40 116.77 2fxr s VAL 212 Ca 0.30 -0.45 -0.39 0.00 0.00 0.00 0.00 61.98 61.44 2fxr s VAL 212 Cb 0.03 -1.21 -0.14 0.00 0.00 0.00 0.00 36.38 35.05 2fxr s VAL 212 CO 0.10 0.40 1.87 0.52 0.00 0.00 0.00 175.10 177.99 2fxr n VAL 213 N 4.68 0.31 0.00 2.92 0.31 0.16 -1.71 118.33 125.00 2fxr n VAL 213 Ca -0.16 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2fxr n VAL 213 Cb 0.50 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2fxr n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2fxr n SER 214 N 6.50 0.00 -1.67 4.52 2.88 -1.07 -1.07 113.62 123.71 2fxr n SER 214 Ca 0.30 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.80 2fxr n SER 214 Cb 0.16 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2fxr n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2fxr n TRP 215 N -1.69 -1.17 0.00 0.66 4.27 -0.86 -4.92 117.44 113.74 2fxr n TRP 215 Ca 0.00 -0.74 0.00 0.00 -3.89 0.00 0.00 57.50 52.87 2fxr n TRP 215 Cb 0.00 0.27 0.00 0.00 -1.36 0.00 0.00 31.31 30.22 2fxr n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2fxr n GLY 216 N -0.20 2.83 3.53 -1.67 0.00 -1.26 -1.16 105.19 107.26 2fxr n GLY 216 Ca -0.02 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 2fxr n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fxr s GLU 217 N -2.00 3.34 2.32 1.61 2.12 -1.26 -4.88 118.70 119.95 2fxr s GLU 217 Ca 0.00 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2fxr s GLU 217 Cb 0.00 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.33 2fxr s GLU 217 CO 0.00 -1.56 0.00 0.41 -0.54 0.00 0.00 175.26 173.57 2fxr n GLY 219 N 5.13 -0.36 3.03 -1.50 0.00 -1.26 -4.54 105.19 105.69 2fxr n GLY 219 Ca 0.03 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 2fxr n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxr n ALA 221 N 3.75 -0.35 -1.79 0.00 0.00 -1.26 -4.69 120.51 116.16 2fxr n ALA 221 Ca -0.22 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 2fxr n ALA 221 Cb 0.52 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 2fxr n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fxr s GLN 221 N -3.86 4.02 -0.08 0.00 -1.52 -1.26 -4.06 119.66 112.89 2fxr s GLN 221 Ca 0.00 1.39 -0.34 0.00 -1.95 0.00 0.00 55.36 54.46 2fxr s GLN 221 Cb 0.00 -2.30 -0.12 0.00 -0.22 0.00 0.00 33.01 30.37 2fxr s GLN 221 CO 0.00 -0.24 1.89 -2.30 -0.25 0.00 0.00 175.29 174.38 2fxr n PRO 222 N -0.53 2.21 -2.70 2.91 -0.02 -1.26 -1.64 135.00 133.98 2fxr n PRO 222 Ca 0.07 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.18 2fxr n PRO 222 Cb 0.51 -2.66 0.02 0.00 -0.02 0.00 0.00 33.50 31.35 2fxr n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fxr n ASN 223 N 6.68 -5.20 -3.15 2.55 5.03 -1.26 -4.95 115.26 114.95 2fxr n ASN 223 Ca 0.23 -0.16 -0.21 0.00 0.87 0.00 0.00 54.58 55.30 2fxr n ASN 223 Cb 0.30 -4.13 -0.06 0.00 -1.02 0.00 0.00 39.78 34.87 2fxr n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2fxr n ARG 224 N -3.16 0.58 -1.59 3.52 5.12 -0.65 -3.96 116.66 116.52 2fxr n ARG 224 Ca -0.13 -2.92 -0.31 0.00 -1.93 0.00 0.00 57.85 52.56 2fxr n ARG 224 Cb 0.62 -1.37 0.06 0.00 -1.16 0.00 0.00 32.46 30.60 2fxr n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2fxr s PRO 225 N -0.49 2.77 0.26 5.56 0.04 -1.26 -4.13 135.00 137.75 2fxr s PRO 225 Ca 0.34 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2fxr s PRO 225 Cb 0.14 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 2fxr s PRO 225 CO -0.15 -1.19 1.42 0.20 0.04 0.00 0.00 177.00 177.32 2fxr s GLY 226 N -3.85 2.43 -0.13 0.56 0.00 -0.73 -4.78 107.32 100.82 2fxr s GLY 226 Ca 0.58 1.32 -0.04 0.00 0.00 0.00 0.00 44.72 46.59 2fxr s GLY 226 CO 0.55 2.23 0.01 -0.42 0.00 0.00 0.00 173.10 175.46 2fxr s ILE 227 N -0.17 4.32 0.11 0.90 -1.09 -0.31 -1.68 121.20 123.28 2fxr s ILE 227 Ca 0.58 -0.22 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 2fxr s ILE 227 Cb -0.42 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2fxr s ILE 227 CO 0.45 0.54 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.24 2fxr s TYR 228 N -0.19 1.39 0.01 3.97 1.51 0.22 -2.03 117.35 122.22 2fxr s TYR 228 Ca 0.05 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 2fxr s TYR 228 Cb -0.12 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.95 2fxr s TYR 228 CO 0.02 0.13 1.21 0.99 -1.11 0.00 0.00 175.55 176.79 2fxr s THR 229 N -2.00 4.12 -0.11 -0.71 2.01 -0.69 -0.22 115.64 118.04 2fxr s THR 229 Ca 0.07 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 2fxr s THR 229 Cb -0.06 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2fxr s THR 229 CO 0.03 0.06 1.32 -0.60 -0.69 0.00 0.00 174.62 174.74 2fxr s ARG 230 N 1.64 4.26 0.00 4.92 3.52 0.25 -2.48 118.95 131.05 2fxr s ARG 230 Ca 0.58 1.78 -0.25 0.00 -0.13 0.00 0.00 55.73 57.70 2fxr s ARG 230 Cb -0.27 -3.73 -0.18 0.00 -1.56 0.00 0.00 34.95 29.21 2fxr s ARG 230 CO 0.26 -0.66 1.31 0.28 -0.81 0.00 0.00 175.30 175.68 2fxr h VAL 231 N 5.33 1.06 -1.06 7.11 2.07 -1.71 -3.14 116.25 125.91 2fxr h VAL 231 Ca -0.31 -0.78 0.37 0.00 0.82 0.00 0.00 66.70 66.79 2fxr h VAL 231 Cb 1.13 1.54 -0.15 0.00 -1.52 0.00 0.00 31.29 32.30 2fxr h VAL 231 CO 0.94 0.19 0.61 0.71 0.02 0.00 0.00 177.57 180.04 2fxr h THR 232 N -0.53 0.20 0.00 2.57 1.35 -1.87 0.37 112.91 115.00 2fxr h THR 232 Ca -0.02 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2fxr h THR 232 Cb 0.43 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2fxr h THR 232 CO 0.03 0.04 -0.01 0.22 -0.25 0.00 0.00 175.52 175.54 2fxr h TYR 233 N 0.20 0.00 -0.05 4.73 5.03 -1.92 -2.67 116.97 122.29 2fxr h TYR 233 Ca 0.78 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 62.07 2fxr h TYR 233 Cb 1.97 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.25 2fxr h TYR 233 CO -0.01 0.01 -0.18 0.66 -1.32 0.00 0.00 178.16 177.32 2fxr n TYR 234 N -3.89 0.16 -0.17 -3.82 4.01 0.13 -4.73 117.16 108.84 2fxr n TYR 234 Ca -0.03 -1.21 -0.04 0.00 -0.16 0.00 0.00 57.90 56.46 2fxr n TYR 234 Cb 0.09 -0.22 0.05 0.00 -0.31 0.00 0.00 39.34 38.95 2fxr n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fxr h LEU 235 N 0.56 0.39 -1.19 7.72 4.07 -1.23 -1.92 115.31 123.71 2fxr h LEU 235 Ca 0.02 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2fxr h LEU 235 Cb 1.09 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.74 2fxr h LEU 235 CO 0.05 0.27 0.46 0.44 -1.08 0.00 0.00 178.44 178.57 2fxr h ASP 236 N 0.52 0.89 -0.25 -0.43 3.32 -1.85 -0.70 116.42 117.92 2fxr h ASP 236 Ca 0.23 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 2fxr h ASP 236 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2fxr h ASP 236 CO -0.15 0.68 -0.35 -0.25 -1.72 0.00 0.00 179.24 177.45 2fxr h TRP 237 N 1.02 0.92 -0.03 4.55 7.01 -1.79 -2.72 115.95 124.91 2fxr h TRP 237 Ca 0.27 -0.25 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 2fxr h TRP 237 Cb -0.05 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.81 2fxr h TRP 237 CO 0.00 1.01 -0.04 0.82 -2.79 0.00 0.00 178.44 177.44 2fxr h ILE 238 N 0.65 1.40 0.00 2.65 2.04 -0.98 -3.06 117.51 120.21 2fxr h ILE 238 Ca 0.06 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2fxr h ILE 238 Cb 0.89 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2fxr h ILE 238 CO 0.08 0.34 0.00 1.41 0.00 0.00 0.00 178.15 179.98 2fxr n HIS 239 N -4.77 0.22 0.48 1.37 8.25 -0.30 0.58 115.22 121.05 2fxr n HIS 239 Ca -0.08 0.10 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2fxr n HIS 239 Cb 0.29 -0.67 0.44 0.00 1.12 0.00 0.00 29.99 31.17 2fxr n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fxr h HIS 240 N 0.00 0.00 0.00 4.41 6.17 -1.37 -3.36 115.15 121.01 2fxr h HIS 240 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2fxr h HIS 240 Cb 0.09 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.02 2fxr h HIS 240 CO 0.00 0.00 -0.77 0.66 0.71 0.00 0.00 177.93 178.53 2fxr n TYR 241 N -2.40 0.00 -3.43 5.26 4.01 0.49 -5.03 117.16 116.06 2fxr n TYR 241 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 2fxr n TYR 241 Cb 0.36 0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.30 2fxr n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fxr s VAL 242 N -1.80 5.19 0.89 -0.72 1.01 0.20 -5.09 120.40 120.09 2fxr s VAL 242 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 2fxr s VAL 242 Cb 0.00 -3.82 0.17 0.00 0.00 0.00 0.00 36.38 32.73 2fxr s VAL 242 CO 0.00 -0.11 0.39 -2.65 0.00 0.00 0.00 175.10 172.73 2fxr n PRO 243 N 5.32 -1.34 0.00 2.72 -0.02 -1.26 -4.27 135.00 136.15 2fxr n PRO 243 Ca -0.10 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 2fxr n PRO 243 Cb 0.49 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2fxr n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11