#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 5.12 0.00 1.39 1.01 0.12 -3.99 120.40 124.05 2fxr s VAL 17 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2fxr s VAL 17 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2fxr s VAL 17 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2fxr n GLY 18 N 1.75 -0.29 7.00 4.51 0.00 -1.24 -2.85 105.19 114.07 2fxr n GLY 18 Ca -0.17 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 -0.29 3.80 -0.02 0.00 -1.26 -4.88 105.19 102.54 2fxr n GLY 19 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 2.23 0.25 1.61 -2.07 -0.12 -4.92 119.66 116.65 2fxr s GLN 20 Ca 0.00 -1.45 -0.31 0.00 -1.82 0.00 0.00 55.36 51.79 2fxr s GLN 20 Cb 0.00 0.62 -0.14 0.00 -1.09 0.00 0.00 33.01 32.41 2fxr s GLN 20 CO 0.00 -1.04 1.30 -1.91 -1.32 0.00 0.00 175.29 172.31 2fxr n GLU 21 N -0.53 1.83 -3.23 9.60 2.13 -1.26 -0.71 120.64 128.46 2fxr n GLU 21 Ca -0.08 0.65 -0.38 0.00 0.66 0.00 0.00 57.16 58.00 2fxr n GLU 21 Cb 0.60 -2.23 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 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 -0.38 3.56 0.49 4.31 0.00 0.35 -4.79 121.76 125.30 2fxr s ALA 22 Ca 0.66 0.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.45 2fxr s ALA 22 Cb -0.67 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 2fxr s ALA 22 CO 0.53 0.39 1.37 -2.14 0.00 0.00 0.00 175.76 175.92 2fxr s PRO 23 N -1.24 3.45 0.00 0.00 0.02 -1.26 -4.87 135.00 131.11 2fxr s PRO 23 Ca 0.31 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.68 2fxr s PRO 23 Cb -0.19 -2.46 0.26 0.00 0.02 0.00 0.00 34.50 32.12 2fxr s PRO 23 CO 0.20 -0.96 1.17 2.89 -0.33 0.00 0.00 177.00 179.97 2fxr n ARG 24 N -0.58 0.01 0.00 5.54 1.85 -1.26 -1.91 116.66 120.32 2fxr n ARG 24 Ca 0.08 0.37 0.12 0.00 -1.00 0.00 0.00 57.85 57.42 2fxr n ARG 24 Cb 0.44 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.56 2fxr n ARG 24 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2fxr n SER 25 N -1.47 1.33 -4.92 2.89 3.41 -1.26 -4.93 113.62 108.67 2fxr n SER 25 Ca 0.02 -1.06 -0.30 0.00 -0.26 0.00 0.00 58.87 57.26 2fxr n SER 25 Cb 0.07 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.56 3.50 -1.28 4.33 3.01 -0.80 -4.62 119.74 121.32 2fxr s LYS 26 Ca 0.20 -0.35 -0.04 0.00 -1.01 0.00 0.00 55.97 54.78 2fxr s LYS 26 Cb 0.19 -2.94 0.01 0.00 -1.01 0.00 0.00 37.83 34.07 2fxr s LYS 26 CO 0.57 0.52 1.03 0.91 0.51 0.00 0.00 175.35 178.89 2fxr n TRP 27 N -0.07 -2.39 0.09 3.18 5.03 -1.26 -4.89 117.44 117.12 2fxr n TRP 27 Ca -0.05 0.95 0.05 0.00 3.03 0.00 0.00 57.50 61.49 2fxr n TRP 27 Cb 0.52 -4.94 0.26 0.00 -1.03 0.00 0.00 31.31 26.11 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 -4.45 0.06 0.00 -0.99 -0.04 -1.26 -2.13 135.00 126.19 2fxr n PRO 28 Ca -0.18 0.51 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2fxr n PRO 28 Cb 0.63 -1.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.81 0.00 -1.90 0.54 2.14 -1.20 -2.67 117.44 112.54 2fxr n TRP 29 Ca -0.01 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.18 2fxr n TRP 29 Cb 0.14 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.66 2fxr n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fxr s GLN 30 N -2.56 3.52 0.10 -2.67 2.00 -0.91 -0.75 119.66 118.40 2fxr s GLN 30 Ca 0.14 2.21 -0.03 0.00 -2.00 0.00 0.00 55.36 55.68 2fxr s GLN 30 Cb 0.16 -2.48 -0.03 0.00 0.80 0.00 0.00 33.01 31.46 2fxr s GLN 30 CO 0.64 -0.87 0.07 0.14 -0.50 0.00 0.00 175.29 174.77 2fxr s VAL 31 N -1.30 0.14 -0.10 1.34 -7.23 -0.97 -2.39 120.40 109.89 2fxr s VAL 31 Ca 0.65 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2fxr s VAL 31 Cb -0.39 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2fxr s VAL 31 CO 0.49 -0.65 -0.20 -0.55 -0.31 0.00 0.00 175.10 173.88 2fxr s SER 32 N -2.98 3.44 -0.18 4.85 0.15 0.49 -2.14 113.70 117.34 2fxr s SER 32 Ca 0.16 -0.46 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 2fxr s SER 32 Cb 0.07 -1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 62.99 2fxr s SER 32 CO -0.04 0.19 0.37 -0.76 1.20 0.00 0.00 173.24 174.20 2fxr s LEU 33 N 0.20 4.20 -0.09 3.45 1.43 0.71 -1.09 118.68 127.49 2fxr s LEU 33 Ca -0.12 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2fxr s LEU 33 Cb -0.16 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2fxr s LEU 33 CO 0.07 -0.01 -0.15 -0.13 0.23 0.00 0.00 176.35 176.36 2fxr s ARG 34 N 0.93 2.89 -0.03 1.70 1.81 0.16 -1.24 118.95 125.16 2fxr s ARG 34 Ca 0.19 -0.72 0.03 0.00 -1.72 0.00 0.00 55.73 53.52 2fxr s ARG 34 Cb -0.14 -2.46 -0.03 0.00 -0.45 0.00 0.00 34.95 31.87 2fxr s ARG 34 CO 0.07 0.41 -0.12 0.54 -0.68 0.00 0.00 175.30 175.53 2fxr s VAL 35 N -0.19 3.26 0.16 3.52 0.11 -0.18 -0.96 120.40 126.12 2fxr s VAL 35 Ca -0.00 -0.75 -0.31 0.00 -2.93 0.00 0.00 61.98 57.99 2fxr s VAL 35 Cb -0.13 -2.33 -0.09 0.00 -1.53 0.00 0.00 36.38 32.30 2fxr s VAL 35 CO 0.03 0.52 1.39 -2.28 -3.33 0.00 0.00 175.10 171.44 2fxr s HIS 36 N -0.82 3.20 0.00 1.54 2.46 -0.42 -2.09 115.29 119.16 2fxr s HIS 36 Ca 0.13 1.01 0.00 0.00 0.47 0.00 0.00 55.06 56.67 2fxr s HIS 36 Cb -0.11 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.64 2fxr s HIS 36 CO 0.03 -2.39 0.00 0.41 -2.47 0.00 0.00 174.74 170.32 2fxr n GLY 37 N 3.02 2.74 0.33 1.59 0.00 -1.26 -4.95 105.19 106.66 2fxr n GLY 37 Ca 0.10 -0.27 0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.22 1.61 0.11 -2.04 -3.42 132.00 126.03 2fxr h PRO 37 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2fxr h PRO 37 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 2fxr h PRO 37 CO 0.00 0.00 0.26 1.52 -0.21 0.00 0.00 178.00 179.57 2fxr s TYR 37 N -4.39 -0.57 -0.67 0.65 1.13 -1.26 -5.09 117.35 107.15 2fxr s TYR 37 Ca -0.05 0.80 -0.26 0.00 -1.41 0.00 0.00 57.07 56.15 2fxr s TYR 37 Cb 0.13 0.46 -0.07 0.00 -1.10 0.00 0.00 41.96 41.39 2fxr s TYR 37 CO 0.46 -0.63 2.16 -1.58 -2.51 0.00 0.00 175.55 173.45 2fxr s TRP 38 N -1.98 1.40 0.05 -3.49 0.52 -1.26 -4.77 118.94 109.41 2fxr s TRP 38 Ca -0.06 1.25 -0.19 0.00 0.02 0.00 0.00 56.10 57.13 2fxr s TRP 38 Cb -0.00 -3.79 -0.06 0.00 -1.15 0.00 0.00 33.47 28.47 2fxr s TRP 38 CO 0.02 -2.11 0.55 1.41 0.02 0.00 0.00 176.95 176.84 2fxr s MET 39 N 7.81 4.18 0.01 4.98 1.75 -0.89 -4.77 119.30 132.38 2fxr s MET 39 Ca 0.82 0.69 -0.30 0.00 -1.25 0.00 0.00 55.69 55.66 2fxr s MET 39 Cb -0.13 -3.25 -0.05 0.00 2.84 0.00 0.00 34.83 34.24 2fxr s MET 39 CO 0.15 0.61 1.35 -1.58 -0.65 0.00 0.00 175.02 174.91 2fxr s HIS 40 N -0.98 3.00 0.00 4.11 2.46 -1.26 -1.01 115.29 121.61 2fxr s HIS 40 Ca 0.28 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.75 2fxr s HIS 40 Cb -0.19 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.65 2fxr s HIS 40 CO 0.18 -2.17 0.00 1.97 -2.47 0.00 0.00 174.74 172.25 2fxr n PHE 41 N 5.05 0.00 -3.47 3.88 -1.74 -0.38 -4.97 117.46 115.84 2fxr n PHE 41 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.89 2fxr n PHE 41 Cb 0.44 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.41 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 0.00 0.50 1.63 0.00 0.00 0.16 -0.21 105.19 107.27 2fxr n GLY 43 Ca -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.34 0.71 3.25 -0.02 0.00 -0.91 -3.82 105.19 102.07 2fxr n GLY 44 Ca 0.16 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.11 -0.32 -0.47 1.61 1.04 -0.79 -2.29 113.70 110.38 2fxr s SER 45 Ca 0.11 0.50 -0.22 0.00 0.48 0.00 0.00 55.95 56.82 2fxr s SER 45 Cb -0.01 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.73 2fxr s SER 45 CO 0.01 -0.25 0.77 -0.22 0.98 0.00 0.00 173.24 174.54 2fxr s LEU 46 N -0.37 4.34 0.00 2.42 2.96 0.07 -0.78 118.68 127.32 2fxr s LEU 46 Ca -0.05 -0.28 0.18 0.00 -0.22 0.00 0.00 54.13 53.75 2fxr s LEU 46 Cb -0.03 -2.84 -0.15 0.00 0.50 0.00 0.00 46.19 43.66 2fxr s LEU 46 CO 0.02 -0.95 0.79 2.30 -1.32 0.00 0.00 176.35 177.19 2fxr n ILE 47 N 6.05 0.00 -3.62 6.68 -5.35 -0.93 -0.43 119.36 121.75 2fxr n ILE 47 Ca 0.01 -0.13 -0.14 0.00 -0.27 0.00 0.00 62.75 62.22 2fxr n ILE 47 Cb 0.48 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 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 -2.57 -0.77 0.37 4.28 5.04 -1.17 -4.66 115.29 115.82 2fxr s HIS 48 Ca 0.09 1.85 0.31 0.00 -1.54 0.00 0.00 55.06 55.76 2fxr s HIS 48 Cb 0.14 0.28 1.22 0.00 0.04 0.00 0.00 32.58 34.25 2fxr s HIS 48 CO 0.68 -0.39 1.18 -2.30 -2.34 0.00 0.00 174.74 171.57 2fxr n PRO 49 N 2.55 -0.01 -0.04 2.88 -0.02 -1.26 0.21 135.00 139.31 2fxr n PRO 49 Ca -0.14 0.89 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 2fxr n PRO 49 Cb 0.55 -1.89 0.05 0.00 -0.02 0.00 0.00 33.50 32.20 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 -3.86 2.43 -4.16 -0.52 7.27 -1.26 -1.52 117.38 115.76 2fxr n GLN 50 Ca 0.32 -1.89 -0.16 0.00 0.07 0.00 0.00 57.00 55.34 2fxr n GLN 50 Cb 1.35 -1.19 -0.15 0.00 2.41 0.00 0.00 30.24 32.67 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 -1.65 0.49 -0.12 3.69 0.52 0.13 -1.69 118.94 120.32 2fxr s TRP 51 Ca 0.12 -0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.17 2fxr s TRP 51 Cb 0.10 -0.34 -0.00 0.00 -1.15 0.00 0.00 33.47 32.08 2fxr s TRP 51 CO 0.02 -0.03 -0.19 0.08 0.02 0.00 0.00 176.95 176.84 2fxr s VAL 52 N 0.01 2.44 -0.08 4.03 1.01 0.68 -2.19 120.40 126.30 2fxr s VAL 52 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 2fxr s VAL 52 Cb -0.04 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2fxr s VAL 52 CO -0.00 0.54 0.39 -0.22 0.00 0.00 0.00 175.10 175.81 2fxr s LEU 53 N 0.46 4.35 0.00 3.92 2.96 0.04 -0.18 118.68 130.24 2fxr s LEU 53 Ca -0.13 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 2fxr s LEU 53 Cb -0.17 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 43.98 2fxr s LEU 53 CO 0.06 0.17 0.28 1.07 -1.32 0.00 0.00 176.35 176.61 2fxr n THR 54 N 2.83 0.00 -3.40 3.68 5.66 -0.76 -1.88 114.28 120.41 2fxr n THR 54 Ca -0.12 -0.89 -0.38 0.00 -3.05 0.00 0.00 64.05 59.61 2fxr n THR 54 Cb 0.52 0.58 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 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 -2.13 3.54 0.25 1.79 0.00 -1.26 -0.25 121.76 123.70 2fxr s ALA 55 Ca 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2fxr s ALA 55 Cb -0.01 -2.54 0.45 0.00 0.00 0.00 0.00 23.12 21.02 2fxr s ALA 55 CO 0.10 0.10 1.76 0.00 0.00 0.00 0.00 175.76 177.73 2fxr h ALA 56 N 6.38 1.14 0.00 0.00 0.00 -1.68 -0.95 119.26 124.14 2fxr h ALA 56 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2fxr h ALA 56 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2fxr h ALA 56 CO 0.73 -0.10 0.00 1.12 0.00 0.00 0.00 179.25 181.00 2fxr h HIS 57 N 0.58 0.00 0.00 0.00 2.07 -1.90 0.45 115.15 116.36 2fxr h HIS 57 Ca 0.42 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.90 2fxr h HIS 57 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 2fxr h HIS 57 CO -0.11 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 174.55 2fxr n VAL 59 N -3.58 0.32 -3.60 0.00 0.24 -0.09 -5.00 118.33 106.62 2fxr n VAL 59 Ca -0.01 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.34 61.86 2fxr n VAL 59 Cb 0.33 0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.24 2.25 0.17 7.63 0.00 0.14 -4.69 105.19 110.46 2fxr n GLY 60 Ca 0.02 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 -7.13 1.61 0.13 -1.82 -3.40 132.00 121.39 2fxr h PRO 60 Ca -0.13 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.49 2fxr h PRO 60 Cb 0.51 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.75 2fxr h PRO 60 CO 0.17 0.44 0.42 -0.51 -0.23 0.00 0.00 178.00 178.30 2fxr s ASP 60 N -6.57 5.12 0.51 1.44 1.01 -1.26 -4.97 116.67 111.95 2fxr s ASP 60 Ca -0.00 2.24 -0.22 0.00 0.71 0.00 0.00 52.55 55.27 2fxr s ASP 60 Cb 0.12 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 2fxr s ASP 60 CO 0.71 -1.63 1.28 -0.69 0.21 0.00 0.00 175.17 175.05 2fxr s VAL 60 N -1.89 2.50 0.37 -1.27 1.01 -1.26 -5.03 120.40 114.84 2fxr s VAL 60 Ca 0.73 0.38 0.08 0.00 0.00 0.00 0.00 61.98 63.17 2fxr s VAL 60 Cb -0.26 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 2fxr s VAL 60 CO 0.36 -0.00 0.05 -0.54 0.00 0.00 0.00 175.10 174.96 2fxr s LYS 60 N -2.80 2.07 -0.34 2.72 -0.14 -1.26 -5.09 119.74 114.90 2fxr s LYS 60 Ca 0.68 -1.85 -0.12 0.00 -1.36 0.00 0.00 55.97 53.32 2fxr s LYS 60 Cb -0.36 -1.87 -0.00 0.00 -1.68 0.00 0.00 37.83 33.92 2fxr s LYS 60 CO 0.43 0.04 0.21 0.34 -0.76 0.00 0.00 175.35 175.61 2fxr s ASP 60 N -3.75 5.85 0.39 2.83 3.68 -1.26 -4.97 116.67 119.44 2fxr s ASP 60 Ca 0.36 -0.60 0.09 0.00 2.13 0.00 0.00 52.55 54.54 2fxr s ASP 60 Cb 0.03 -2.08 0.87 0.00 -1.45 0.00 0.00 42.92 40.29 2fxr s ASP 60 CO 0.20 -0.27 1.98 -0.07 0.13 0.00 0.00 175.17 177.13 2fxr h LEU 61 N 8.45 0.53 -1.95 -1.34 4.07 -1.95 -2.21 115.31 120.92 2fxr h LEU 61 Ca -0.30 0.00 0.20 0.00 0.08 0.00 0.00 57.88 57.86 2fxr h LEU 61 Cb 1.14 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 2fxr h LEU 61 CO 0.64 0.34 0.58 0.00 -1.08 0.00 0.00 178.44 178.92 2fxr h ALA 62 N 1.66 2.54 -0.66 1.53 0.00 -1.93 -0.28 119.26 122.12 2fxr h ALA 62 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2fxr h ALA 62 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2fxr h ALA 62 CO -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.23 2fxr n ALA 63 N -2.54 2.73 -2.38 0.00 0.00 -0.83 -4.94 120.51 112.55 2fxr n ALA 63 Ca 0.14 -1.36 -0.29 0.00 0.00 0.00 0.00 53.44 51.93 2fxr n ALA 63 Cb 0.83 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.38 2.16 0.04 0.00 2.96 -0.12 -1.29 118.68 121.04 2fxr s LEU 64 Ca 0.48 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2fxr s LEU 64 Cb 0.28 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 2fxr s LEU 64 CO 0.28 0.24 0.13 -0.13 -1.32 0.00 0.00 176.35 175.54 2fxr s ARG 65 N -1.16 0.61 -0.07 1.98 1.81 -0.13 -4.22 118.95 117.77 2fxr s ARG 65 Ca 0.10 -0.69 0.04 0.00 -1.72 0.00 0.00 55.73 53.46 2fxr s ARG 65 Cb -0.10 0.25 -0.01 0.00 -0.45 0.00 0.00 34.95 34.64 2fxr s ARG 65 CO 0.02 -0.16 -0.20 0.08 -0.68 0.00 0.00 175.30 174.35 2fxr s VAL 66 N -2.52 2.49 -0.16 3.52 1.01 -0.26 -0.67 120.40 123.82 2fxr s VAL 66 Ca -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2fxr s VAL 66 Cb -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2fxr s VAL 66 CO -0.04 0.57 -0.17 -1.58 0.00 0.00 0.00 175.10 173.88 2fxr s GLN 67 N -0.16 3.14 0.99 2.72 2.00 -0.25 -1.06 119.66 127.03 2fxr s GLN 67 Ca -0.02 -0.78 -0.16 0.00 -2.00 0.00 0.00 55.36 52.40 2fxr s GLN 67 Cb -0.14 -2.61 0.20 0.00 0.80 0.00 0.00 33.01 31.27 2fxr s GLN 67 CO 0.04 -0.06 1.28 -0.51 -0.50 0.00 0.00 175.29 175.54 2fxr s LEU 68 N 0.98 2.38 -0.32 3.68 1.43 -1.26 -0.38 118.68 125.19 2fxr s LEU 68 Ca -0.02 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 2fxr s LEU 68 Cb -0.15 -2.39 -0.12 0.00 0.03 0.00 0.00 46.19 43.55 2fxr s LEU 68 CO -0.04 -2.89 1.32 -1.14 0.23 0.00 0.00 176.35 173.84 2fxr n ARG 69 N -3.89 0.00 -4.48 1.70 0.00 -1.01 -4.74 116.66 104.25 2fxr n ARG 69 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.75 2fxr n ARG 69 Cb 0.60 -0.97 -0.17 0.00 0.00 0.00 0.00 32.46 31.92 2fxr n ARG 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2fxr s GLU 70 N 3.55 1.60 0.03 -0.14 2.12 -1.26 -5.03 118.70 119.57 2fxr s GLU 70 Ca 0.76 -0.37 -0.25 0.00 0.36 0.00 0.00 54.97 55.47 2fxr s GLU 70 Cb -0.97 -1.37 -0.18 0.00 0.26 0.00 0.00 34.13 31.87 2fxr s GLU 70 CO 0.44 -0.01 1.47 0.37 -0.54 0.00 0.00 175.26 176.99 2fxr h GLN 71 N 7.11 0.00 -5.19 4.30 5.75 -1.94 -3.42 115.11 121.73 2fxr h GLN 71 Ca -0.31 -0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.51 2fxr h GLN 71 Cb 1.18 -0.00 -0.34 0.00 1.07 0.00 0.00 27.48 29.39 2fxr h GLN 71 CO 0.47 0.28 -0.87 -1.01 -2.65 0.00 0.00 178.83 175.05 2fxr s HIS 72 N -5.08 2.69 0.52 3.99 3.76 -1.26 -1.28 115.29 118.62 2fxr s HIS 72 Ca -0.15 -1.37 -0.21 0.00 -0.15 0.00 0.00 55.06 53.18 2fxr s HIS 72 Cb 0.04 -1.83 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 2fxr s HIS 72 CO 0.67 -0.63 1.10 1.28 -0.85 0.00 0.00 174.74 176.31 2fxr n LEU 73 N 4.13 3.83 0.00 0.89 4.77 -0.43 -3.04 117.00 127.16 2fxr n LEU 73 Ca -0.20 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 2fxr n LEU 73 Cb 0.51 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 2fxr n LEU 73 CO 0.27 -1.35 0.00 -1.22 -1.33 0.00 0.00 177.39 173.76 2fxr n TYR 74 N -1.08 0.00 -0.03 -1.77 4.01 -1.26 -4.83 117.16 112.21 2fxr n TYR 74 Ca 0.11 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 2fxr n TYR 74 Cb 0.44 -0.25 -0.09 0.00 -0.31 0.00 0.00 39.34 39.13 2fxr n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2fxr h TYR 75 N 0.00 0.12 -1.65 -0.72 0.05 -1.90 -3.33 116.97 109.54 2fxr h TYR 75 Ca 0.00 -0.04 -0.61 0.00 0.05 0.00 0.00 58.73 58.14 2fxr h TYR 75 Cb 0.00 -0.03 -0.41 0.00 1.01 0.00 0.00 36.73 37.31 2fxr h TYR 75 CO 0.00 0.57 -0.57 1.04 -1.05 0.00 0.00 178.16 178.15 2fxr n GLN 79 N -4.76 3.38 -1.70 4.88 1.13 -1.26 -5.06 117.38 113.99 2fxr n GLN 79 Ca -0.08 -4.48 -0.44 0.00 -1.94 0.00 0.00 57.00 50.06 2fxr n GLN 79 Cb 0.29 -2.25 -0.03 0.00 0.11 0.00 0.00 30.24 28.36 2fxr n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2fxr n ASP 80 N -0.45 3.35 -3.18 1.08 9.92 -1.25 -4.95 116.55 121.06 2fxr n ASP 80 Ca 0.39 1.11 -0.22 0.00 -0.53 0.00 0.00 54.79 55.55 2fxr n ASP 80 Cb 0.60 -1.50 -0.06 0.00 -0.64 0.00 0.00 41.12 39.52 2fxr n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fxr n GLN 81 N 2.80 0.54 -1.83 -1.24 6.02 -1.26 -5.13 117.38 117.28 2fxr n GLN 81 Ca 0.13 -2.97 -0.42 0.00 -0.01 0.00 0.00 57.00 53.74 2fxr n GLN 81 Cb 0.33 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.17 2fxr n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2fxr s LEU 82 N -0.60 4.36 -0.14 1.08 1.43 -1.26 -4.69 118.68 118.86 2fxr s LEU 82 Ca 0.34 2.87 0.01 0.00 -1.03 0.00 0.00 54.13 56.31 2fxr s LEU 82 Cb 0.12 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 2fxr s LEU 82 CO -0.15 -0.87 -0.16 -0.76 0.23 0.00 0.00 176.35 174.64 2fxr s LEU 83 N -0.29 2.52 0.79 1.79 1.43 -0.23 -4.93 118.68 119.76 2fxr s LEU 83 Ca 0.63 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 2fxr s LEU 83 Cb -0.46 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.26 2fxr s LEU 83 CO 0.45 0.13 1.10 -2.16 0.23 0.00 0.00 176.35 176.10 2fxr s PRO 84 N 0.55 2.07 -0.05 1.29 0.04 -1.26 -1.10 135.00 136.55 2fxr s PRO 84 Ca -0.10 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.23 2fxr s PRO 84 Cb -0.16 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2fxr s PRO 84 CO 0.04 -1.79 -0.14 0.08 0.04 0.00 0.00 177.00 175.22 2fxr s VAL 85 N -2.82 3.07 -0.16 -0.36 1.01 -1.26 -2.90 120.40 116.98 2fxr s VAL 85 Ca 0.63 -0.73 0.19 0.00 0.00 0.00 0.00 61.98 62.06 2fxr s VAL 85 Cb -0.18 -2.20 -0.26 0.00 0.00 0.00 0.00 36.38 33.73 2fxr s VAL 85 CO 0.55 0.59 0.17 -1.54 0.00 0.00 0.00 175.10 174.88 2fxr n SER 86 N 2.29 0.03 -3.81 3.32 3.41 0.11 -4.80 113.62 114.16 2fxr n SER 86 Ca -0.17 0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 2fxr n SER 86 Cb 0.52 1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 65.52 2fxr n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2fxr s ARG 87 N -2.70 0.38 -0.25 4.33 0.52 -1.12 -5.00 118.95 115.11 2fxr s ARG 87 Ca -0.09 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2fxr s ARG 87 Cb 0.08 0.17 0.06 0.00 0.52 0.00 0.00 34.95 35.77 2fxr s ARG 87 CO 0.84 -0.08 -0.11 0.42 0.02 0.00 0.00 175.30 176.40 2fxr s ILE 88 N -0.52 2.12 -0.42 1.52 1.01 -1.26 -1.48 121.20 122.18 2fxr s ILE 88 Ca -0.06 -1.56 -0.07 0.00 0.00 0.00 0.00 60.65 58.96 2fxr s ILE 88 Cb -0.04 -2.22 0.10 0.00 0.01 0.00 0.00 42.46 40.31 2fxr s ILE 88 CO 0.01 0.01 0.24 -0.63 0.00 0.00 0.00 174.94 174.57 2fxr s ILE 89 N 1.13 3.83 -0.13 2.92 1.01 0.04 -4.99 121.20 125.01 2fxr s ILE 89 Ca -0.08 -1.71 -0.14 0.00 0.00 0.00 0.00 60.65 58.72 2fxr s ILE 89 Cb -0.19 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2fxr s ILE 89 CO -0.06 -0.61 0.32 -0.69 0.00 0.00 0.00 174.94 173.91 2fxr s VAL 90 N 1.30 5.27 0.12 2.92 1.01 -1.26 -0.81 120.40 128.95 2fxr s VAL 90 Ca 0.05 0.61 -0.34 0.00 0.00 0.00 0.00 61.98 62.30 2fxr s VAL 90 Cb -0.24 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.36 2fxr s VAL 90 CO -0.01 0.42 1.65 1.57 0.00 0.00 0.00 175.10 178.73 2fxr n HIS 91 N 3.27 2.33 0.23 5.22 -0.00 -1.14 -4.86 115.22 120.28 2fxr n HIS 91 Ca -0.12 0.18 0.14 0.00 0.46 0.00 0.00 57.72 58.38 2fxr n HIS 91 Cb 0.52 -2.58 0.71 0.00 -0.12 0.00 0.00 29.99 28.52 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 6.67 0.00 -0.01 1.57 0.13 -1.93 -2.39 132.00 136.03 2fxr h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2fxr h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2fxr h PRO 92 CO 0.91 0.00 -0.09 1.04 -0.23 0.00 0.00 178.00 179.62 2fxr n GLN 93 N -2.45 1.44 -2.88 0.86 6.02 -1.26 -4.91 117.38 114.19 2fxr n GLN 93 Ca -0.01 -0.89 -0.40 0.00 -0.01 0.00 0.00 57.00 55.69 2fxr n GLN 93 Cb 0.07 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.17 3.87 0.00 1.08 5.36 -0.90 -4.80 117.98 120.42 2fxr s PHE 94 Ca 0.33 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 2fxr s PHE 94 Cb 0.20 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 2fxr s PHE 94 CO 0.40 0.39 0.00 0.98 -1.46 0.00 0.00 175.22 175.53 2fxr n TYR 95 N 2.08 -0.04 -3.75 10.12 9.36 -1.26 -4.90 117.16 128.76 2fxr n TYR 95 Ca -0.03 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.06 2fxr n TYR 95 Cb 0.49 0.05 -0.08 0.00 -0.63 0.00 0.00 39.34 39.16 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 -1.09 0.06 0.36 2.97 -4.23 -1.26 -4.55 115.64 107.89 2fxr s THR 96 Ca 0.00 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.06 2fxr s THR 96 Cb 0.00 -0.70 0.29 0.00 1.34 0.00 0.00 72.50 73.43 2fxr s THR 96 CO 0.00 -0.28 1.95 0.00 -0.54 0.00 0.00 174.62 175.76 2fxr h ALA 97 N 3.68 1.69 -0.40 3.99 0.00 -1.97 -2.08 119.26 124.16 2fxr h ALA 97 Ca -0.30 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2fxr h ALA 97 Cb 1.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2fxr h ALA 97 CO 0.41 0.20 -0.35 1.96 0.00 0.00 0.00 179.25 181.47 2fxr h GLN 98 N 0.78 0.95 -0.37 0.00 7.50 -1.96 -3.17 115.11 118.84 2fxr h GLN 98 Ca 0.32 -0.48 -0.05 0.00 0.50 0.00 0.00 58.65 58.94 2fxr h GLN 98 Cb 0.26 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 2fxr h GLN 98 CO -0.11 1.14 0.02 0.82 -1.50 0.00 0.00 178.83 179.20 2fxr h ILE 99 N 0.78 1.25 0.00 2.54 2.04 -1.84 -3.46 117.51 118.82 2fxr h ILE 99 Ca 0.07 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2fxr h ILE 99 Cb 0.94 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2fxr h ILE 99 CO 0.09 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.16 2fxr n GLY 100 N -0.39 0.77 3.85 5.37 0.00 -0.82 -4.99 105.19 108.98 2fxr n GLY 100 Ca -0.01 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.93 -2.99 4.61 0.00 -1.26 -4.45 120.51 113.49 2fxr n ALA 101 Ca 0.00 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.82 2fxr n ALA 101 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.99 5.33 -3.68 0.00 2.03 -1.26 -4.19 116.55 111.78 2fxr n ASP 102 Ca -0.27 -3.02 -0.15 0.00 0.52 0.00 0.00 54.79 51.88 2fxr n ASP 102 Cb 0.66 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.47 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 0.64 0.02 0.24 5.18 2.07 -1.26 -3.94 121.20 124.15 2fxr s ILE 103 Ca 0.39 -0.17 -0.09 0.00 -1.41 0.00 0.00 60.65 59.38 2fxr s ILE 103 Cb -0.03 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.80 2fxr s ILE 103 CO -0.01 -0.09 0.39 0.00 -1.91 0.00 0.00 174.94 173.32 2fxr s ALA 104 N -0.67 0.18 -0.02 1.50 0.00 0.66 -2.90 121.76 120.51 2fxr s ALA 104 Ca -0.08 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2fxr s ALA 104 Cb -0.03 1.16 -0.00 0.00 0.00 0.00 0.00 23.12 24.24 2fxr s ALA 104 CO 0.04 -0.78 -0.11 -0.51 0.00 0.00 0.00 175.76 174.39 2fxr s LEU 105 N -3.07 1.91 -0.19 0.00 1.43 0.01 -1.82 118.68 116.96 2fxr s LEU 105 Ca 0.27 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2fxr s LEU 105 Cb 0.01 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.62 2fxr s LEU 105 CO 0.10 0.12 -0.18 -0.76 0.23 0.00 0.00 176.35 175.86 2fxr s LEU 106 N -0.05 2.27 -0.27 1.79 1.43 0.75 -0.78 118.68 123.83 2fxr s LEU 106 Ca 0.01 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 2fxr s LEU 106 Cb -0.07 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2fxr s LEU 106 CO 0.00 -0.02 0.29 -0.70 0.23 0.00 0.00 176.35 176.16 2fxr s GLU 107 N 1.29 4.01 0.56 1.70 2.12 -0.55 -0.23 118.70 127.60 2fxr s GLU 107 Ca 0.04 -0.11 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 2fxr s GLU 107 Cb -0.14 -3.64 -0.06 0.00 0.26 0.00 0.00 34.13 30.55 2fxr s GLU 107 CO -0.12 -0.20 1.01 -0.51 -0.54 0.00 0.00 175.26 174.90 2fxr s LEU 108 N 1.82 3.47 0.46 2.70 1.43 -0.68 0.06 118.68 127.94 2fxr s LEU 108 Ca 0.12 1.53 0.26 0.00 -1.03 0.00 0.00 54.13 55.01 2fxr s LEU 108 Cb -0.16 -4.50 0.95 0.00 0.03 0.00 0.00 46.19 42.52 2fxr s LEU 108 CO 0.10 -0.73 1.83 -0.08 0.23 0.00 0.00 176.35 177.69 2fxr h GLU 109 N 0.43 0.00 -3.95 1.70 4.81 -1.84 -3.42 114.58 112.31 2fxr h GLU 109 Ca -0.46 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.53 2fxr h GLU 109 Cb 1.19 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.30 2fxr h GLU 109 CO 0.61 0.16 -0.73 -1.21 -0.73 0.00 0.00 179.01 177.11 2fxr s GLU 110 N -3.58 0.17 0.70 1.92 0.41 -1.26 -5.03 118.70 112.02 2fxr s GLU 110 Ca 0.01 -0.17 -0.14 0.00 -0.41 0.00 0.00 54.97 54.26 2fxr s GLU 110 Cb 0.09 -0.10 0.02 0.00 -1.78 0.00 0.00 34.13 32.36 2fxr s GLU 110 CO 0.62 0.02 1.12 -1.25 -0.49 0.00 0.00 175.26 175.29 2fxr s PRO 111 N -0.31 2.55 -0.04 0.39 0.04 -1.26 -4.79 135.00 131.57 2fxr s PRO 111 Ca -0.02 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 2fxr s PRO 111 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2fxr s PRO 111 CO -0.00 -1.46 0.17 0.14 0.04 0.00 0.00 177.00 175.89 2fxr s VAL 112 N -2.38 5.44 -0.81 -0.36 -7.23 -0.57 -4.97 120.40 109.51 2fxr s VAL 112 Ca 0.67 -0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 60.53 2fxr s VAL 112 Cb -0.21 -3.49 0.02 0.00 0.56 0.00 0.00 36.38 33.26 2fxr s VAL 112 CO 0.45 0.42 1.48 -0.54 -0.31 0.00 0.00 175.10 176.59 2fxr s LYS 113 N -1.65 3.15 1.08 4.82 -0.14 -1.26 -4.88 119.74 120.87 2fxr s LYS 113 Ca 0.23 -0.35 -0.18 0.00 -1.36 0.00 0.00 55.97 54.31 2fxr s LYS 113 Cb -0.12 -4.62 0.11 0.00 -1.68 0.00 0.00 37.83 31.52 2fxr s LYS 113 CO 0.14 -2.37 -0.00 1.33 -0.76 0.00 0.00 175.35 173.69 2fxr n VAL 114 N 6.78 0.00 0.00 3.17 0.24 -1.26 -4.97 118.33 122.30 2fxr n VAL 114 Ca 0.17 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2fxr n VAL 114 Cb 0.50 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 2fxr n VAL 114 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2fxr n SER 115 N -1.17 0.00 -0.31 -1.34 3.41 -0.40 -4.94 113.62 108.88 2fxr n SER 115 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.65 2fxr n SER 115 Cb 0.53 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.68 2fxr n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fxr h SER 116 N 0.00 0.98 0.14 4.04 4.64 -2.01 -2.86 113.55 118.47 2fxr h SER 116 Ca 0.00 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 2fxr h SER 116 Cb 0.00 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2fxr h SER 116 CO 0.00 0.68 -0.94 -0.74 -0.87 0.00 0.00 176.83 174.95 2fxr h HIS 117 N 1.14 0.83 -3.27 4.77 -0.00 -1.95 -3.44 115.15 113.23 2fxr h HIS 117 Ca 0.35 -0.43 -0.51 0.00 -0.00 0.00 0.00 60.37 59.79 2fxr h HIS 117 Cb 0.00 -0.10 -0.39 0.00 -0.00 0.00 0.00 27.41 26.91 2fxr h HIS 117 CO -0.00 1.26 -0.77 0.14 -0.00 0.00 0.00 177.93 178.56 2fxr s VAL 118 N -3.38 0.53 0.17 5.26 -7.23 -1.08 -4.34 120.40 110.32 2fxr s VAL 118 Ca -0.08 -0.44 -0.23 0.00 -1.81 0.00 0.00 61.98 59.42 2fxr s VAL 118 Cb 0.08 -0.96 0.06 0.00 0.56 0.00 0.00 36.38 36.13 2fxr s VAL 118 CO 0.89 -0.11 0.61 -1.38 -0.31 0.00 0.00 175.10 174.80 2fxr s HIS 119 N 1.87 -0.50 0.84 2.82 -0.00 -1.09 -1.27 115.29 117.95 2fxr s HIS 119 Ca 0.00 0.27 -0.15 0.00 -0.00 0.00 0.00 55.06 55.18 2fxr s HIS 119 Cb -0.16 0.56 -0.02 0.00 -0.00 0.00 0.00 32.58 32.96 2fxr s HIS 119 CO -0.07 -0.88 0.32 0.25 -0.00 0.00 0.00 174.74 174.36 2fxr n THR 120 N -0.38 0.78 -3.99 -5.38 -2.24 -1.25 -3.21 114.28 98.62 2fxr n THR 120 Ca -0.16 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.08 2fxr n THR 120 Cb 0.64 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 2fxr n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fxr s VAL 121 N -2.13 3.95 -0.12 2.28 0.11 0.42 -4.81 120.40 120.10 2fxr s VAL 121 Ca 0.59 -1.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2fxr s VAL 121 Cb -0.28 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 2fxr s VAL 121 CO 0.65 -0.27 0.05 -0.89 -3.33 0.00 0.00 175.10 171.31 2fxr s THR 122 N -2.23 4.74 0.32 5.04 2.01 -1.23 -4.57 115.64 119.72 2fxr s THR 122 Ca 0.37 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 2fxr s THR 122 Cb -0.07 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 2fxr s THR 122 CO 0.25 0.57 0.96 -0.76 -0.69 0.00 0.00 174.62 174.96 2fxr s LEU 123 N -0.58 4.36 0.64 4.42 1.43 -1.26 -1.50 118.68 126.19 2fxr s LEU 123 Ca 0.11 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 2fxr s LEU 123 Cb -0.12 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2fxr s LEU 123 CO 0.02 -0.10 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 2fxr s PRO 124 N -2.00 3.36 0.45 1.29 0.04 -1.26 -4.87 135.00 132.01 2fxr s PRO 124 Ca 0.50 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.16 2fxr s PRO 124 Cb -0.20 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 2fxr s PRO 124 CO 0.26 -0.76 1.00 -1.25 0.04 0.00 0.00 177.00 176.29 2fxr s PRO 125 N -5.09 4.04 0.29 0.56 0.04 -1.26 -4.88 135.00 128.69 2fxr s PRO 125 Ca 0.56 1.27 0.11 0.00 0.04 0.00 0.00 61.00 62.98 2fxr s PRO 125 Cb -0.12 -2.18 0.57 0.00 0.04 0.00 0.00 34.50 32.81 2fxr s PRO 125 CO 0.54 -0.22 1.19 0.00 0.04 0.00 0.00 177.00 178.55 2fxr n ALA 126 N -0.71 0.55 0.00 8.56 0.00 -1.26 -0.86 120.51 126.79 2fxr n ALA 126 Ca 0.08 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 2fxr n ALA 126 Cb 0.53 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 19.16 2fxr n ALA 126 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fxr h SER 127 N 0.00 0.33 -0.94 0.00 0.02 -1.96 -3.48 113.55 107.52 2fxr h SER 127 Ca 0.00 -0.88 -0.57 0.00 -0.84 0.00 0.00 61.79 59.51 2fxr h SER 127 Cb 0.68 -0.11 0.10 0.00 0.14 0.00 0.00 62.40 63.21 2fxr h SER 127 CO 0.00 1.46 -0.51 1.21 -1.14 0.00 0.00 176.83 177.85 2fxr n GLU 128 N -4.12 0.00 0.00 3.45 4.07 -0.04 -4.94 120.64 119.07 2fxr n GLU 128 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 2fxr n GLU 128 Cb 0.81 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 31.33 2fxr n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2fxr n THR 129 N -0.13 0.00 -2.81 6.31 -2.24 -1.26 -4.95 114.28 109.19 2fxr n THR 129 Ca 0.15 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 2fxr n THR 129 Cb 0.23 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 2fxr n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2fxr n PHE 130 N -0.81 -3.09 -1.59 4.78 3.72 -1.26 -4.92 117.46 114.28 2fxr n PHE 130 Ca 0.00 1.50 -0.35 0.00 -0.05 0.00 0.00 57.45 58.55 2fxr n PHE 130 Cb 0.03 -3.23 0.08 0.00 -0.94 0.00 0.00 39.48 35.42 2fxr n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fxr s PRO 131 N -1.21 2.36 0.19 -1.08 0.04 -1.26 -4.94 135.00 129.09 2fxr s PRO 131 Ca -0.06 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.53 2fxr s PRO 131 Cb 0.00 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 2fxr s PRO 131 CO 0.59 -1.69 1.53 -2.14 0.04 0.00 0.00 177.00 175.32 2fxr s PRO 132 N -3.67 4.23 0.00 0.56 0.02 -1.26 -2.72 135.00 132.16 2fxr s PRO 132 Ca 0.77 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.13 2fxr s PRO 132 Cb -0.32 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.06 2fxr s PRO 132 CO 0.42 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 2fxr n GLY 133 N 3.34 0.95 3.62 0.52 0.00 -0.41 -4.96 105.19 108.26 2fxr n GLY 133 Ca 0.12 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 2fxr n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fxr s MET 134 N -3.17 3.68 -0.18 1.61 1.75 -1.10 -4.86 119.30 117.04 2fxr s MET 134 Ca 0.00 -0.39 -0.29 0.00 -1.25 0.00 0.00 55.69 53.76 2fxr s MET 134 Cb 0.00 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 2fxr s MET 134 CO 0.00 0.38 1.67 -1.25 -0.65 0.00 0.00 175.02 175.17 2fxr s PRO 135 N 0.04 3.85 0.12 4.11 0.04 -1.26 -2.41 135.00 139.48 2fxr s PRO 135 Ca 0.04 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.94 2fxr s PRO 135 Cb -0.13 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2fxr s PRO 135 CO 0.01 -1.24 -0.08 0.00 0.04 0.00 0.00 177.00 175.73 2fxr s TRP 137 N -3.34 2.09 0.02 0.00 0.52 0.91 -0.33 118.94 118.81 2fxr s TRP 137 Ca 0.13 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.93 2fxr s TRP 137 Cb 0.03 -1.34 -0.03 0.00 -1.15 0.00 0.00 33.47 30.98 2fxr s TRP 137 CO -0.02 -0.04 -0.25 0.54 0.02 0.00 0.00 176.95 177.20 2fxr s VAL 138 N -0.54 2.25 0.10 4.03 0.11 -0.90 -0.76 120.40 124.70 2fxr s VAL 138 Ca 0.09 -1.26 0.03 0.00 -2.93 0.00 0.00 61.98 57.91 2fxr s VAL 138 Cb -0.09 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 2fxr s VAL 138 CO -0.01 0.43 -0.09 0.42 -3.33 0.00 0.00 175.10 172.52 2fxr s THR 139 N -0.77 0.89 -3.91 5.04 -4.23 -1.21 -2.13 115.64 109.33 2fxr s THR 139 Ca 0.12 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2fxr s THR 139 Cb -0.10 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.26 2fxr s THR 139 CO 0.02 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 2fxr n GLY 140 N 0.33 -2.32 0.75 3.99 0.00 -0.80 -4.48 105.19 102.67 2fxr n GLY 140 Ca -0.14 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 0.75 0.75 -1.44 1.61 8.01 -1.26 -1.89 117.44 123.96 2fxr n TRP 141 Ca 0.00 -0.81 -0.29 0.00 -1.31 0.00 0.00 57.50 55.09 2fxr n TRP 141 Cb 0.00 -0.24 0.18 0.00 -2.01 0.00 0.00 31.31 29.24 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 -1.82 1.61 0.25 6.99 0.00 -1.24 -4.71 107.32 108.40 2fxr s GLY 142 Ca 0.37 -0.76 -0.28 0.00 0.00 0.00 0.00 44.72 44.04 2fxr s GLY 142 CO 0.09 -0.06 0.85 1.22 0.00 0.00 0.00 173.10 175.21 2fxr n ASP 143 N -4.11 0.42 -0.30 1.64 9.92 0.33 -2.12 116.55 122.33 2fxr n ASP 143 Ca 0.10 1.16 0.07 0.00 -0.53 0.00 0.00 54.79 55.59 2fxr n ASP 143 Cb 0.59 -1.16 0.32 0.00 -0.64 0.00 0.00 41.12 40.23 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 0.25 0.16 0.00 2.53 0.24 -0.20 -0.06 118.33 121.25 2fxr n VAL 144 Ca 0.13 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2fxr n VAL 144 Cb 0.29 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.13 0.00 -4.67 -1.34 4.64 -1.22 -4.37 116.55 109.46 2fxr n ASP 145 Ca 0.12 0.00 -0.61 0.00 -1.38 0.00 0.00 54.79 52.91 2fxr n ASP 145 Cb 0.18 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.18 2fxr n ASP 145 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2fxr n ASN 146 N 0.00 1.78 -3.86 1.67 3.02 -1.26 -0.67 115.26 115.95 2fxr n ASN 146 Ca 0.00 1.05 -0.28 0.00 -0.03 0.00 0.00 54.58 55.31 2fxr n ASN 146 Cb 0.00 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 38.15 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 5.29 -2.24 -3.33 6.41 10.43 -1.26 -4.95 116.55 126.90 2fxr n ASP 147 Ca 0.32 -1.02 -0.13 0.00 2.57 0.00 0.00 54.79 56.53 2fxr n ASP 147 Cb 0.05 -3.13 -0.07 0.00 1.84 0.00 0.00 41.12 39.81 2fxr n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2fxr s GLU 149 N -6.38 0.59 0.74 -1.24 2.12 0.16 -5.10 118.70 109.59 2fxr s GLU 149 Ca 0.19 -0.52 -0.16 0.00 0.36 0.00 0.00 54.97 54.85 2fxr s GLU 149 Cb -0.07 -0.53 -0.00 0.00 0.26 0.00 0.00 34.13 33.79 2fxr s GLU 149 CO 0.88 -1.15 0.77 0.54 -0.54 0.00 0.00 175.26 175.76 2fxr n ARG 150 N 4.59 0.34 -0.01 4.30 3.00 -1.26 -1.03 116.66 126.58 2fxr n ARG 150 Ca 0.08 0.17 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 2fxr n ARG 150 Cb 0.48 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.88 2fxr n ARG 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2fxr n LEU 151 N -1.22 0.00 -0.14 0.55 7.94 -1.26 -4.44 117.00 118.42 2fxr n LEU 151 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2fxr n LEU 151 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2fxr n LEU 151 CO 0.49 -0.39 0.00 -0.81 -1.11 0.00 0.00 177.39 175.58 2fxr n PRO 152 N -0.78 0.00 -3.20 1.96 -0.04 -1.26 -5.03 135.00 126.66 2fxr n PRO 152 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2fxr n PRO 152 Cb 0.00 -0.31 0.07 0.00 -0.04 0.00 0.00 33.50 33.22 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 -2.27 -2.32 0.54 3.72 -1.26 -3.97 117.46 111.89 2fxr n PHE 153 Ca 0.00 0.83 -0.34 0.00 -0.05 0.00 0.00 57.45 57.89 2fxr n PHE 153 Cb 0.00 -4.24 -0.01 0.00 -0.94 0.00 0.00 39.48 34.29 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 -4.54 3.54 0.08 -1.08 0.04 -1.26 -1.31 135.00 130.47 2fxr s PRO 154 Ca 0.33 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 2fxr s PRO 154 Cb -0.04 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2fxr s PRO 154 CO 0.70 -0.65 1.17 -1.17 0.04 0.00 0.00 177.00 177.08 2fxr s LEU 155 N -3.87 4.39 0.29 -3.56 2.96 -0.41 -4.82 118.68 113.66 2fxr s LEU 155 Ca 0.68 2.01 0.08 0.00 -0.22 0.00 0.00 54.13 56.67 2fxr s LEU 155 Cb -0.18 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 2fxr s LEU 155 CO 0.27 -0.41 0.16 -0.54 -1.32 0.00 0.00 176.35 174.50 2fxr s LYS 156 N 0.80 2.61 -0.02 1.98 1.02 -0.79 -0.49 119.74 124.85 2fxr s LYS 156 Ca 0.57 -1.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.17 2fxr s LYS 156 Cb -0.29 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2fxr s LYS 156 CO 0.30 0.27 0.19 1.14 -0.92 0.00 0.00 175.35 176.33 2fxr s GLN 157 N -3.83 0.46 -0.07 1.68 -2.07 0.12 -1.91 119.66 114.04 2fxr s GLN 157 Ca 0.35 -0.20 -0.11 0.00 -1.82 0.00 0.00 55.36 53.58 2fxr s GLN 157 Cb -0.06 0.20 0.02 0.00 -1.09 0.00 0.00 33.01 32.09 2fxr s GLN 157 CO 0.24 -0.11 0.28 0.54 -1.32 0.00 0.00 175.29 174.92 2fxr s VAL 158 N -1.02 0.03 -0.31 3.63 0.11 -0.90 -0.94 120.40 120.99 2fxr s VAL 158 Ca -0.11 -0.23 -0.22 0.00 -2.93 0.00 0.00 61.98 58.50 2fxr s VAL 158 Cb -0.06 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2fxr s VAL 158 CO 0.02 -0.12 0.70 -0.75 -3.33 0.00 0.00 175.10 171.62 2fxr s LYS 159 N -0.48 3.91 -0.04 1.54 2.20 -1.26 -2.11 119.74 123.50 2fxr s LYS 159 Ca -0.06 0.41 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 2fxr s LYS 159 Cb -0.04 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2fxr s LYS 159 CO 0.02 -0.63 -0.19 0.14 -0.36 0.00 0.00 175.35 174.32 2fxr s VAL 160 N 2.78 1.59 0.03 4.02 -7.23 0.55 -4.92 120.40 117.22 2fxr s VAL 160 Ca 0.28 -0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 2fxr s VAL 160 Cb -0.14 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 2fxr s VAL 160 CO 0.12 0.45 0.78 -2.16 -0.31 0.00 0.00 175.10 173.99 2fxr s PRO 161 N -0.05 4.50 0.79 4.82 0.04 -1.26 -2.37 135.00 141.47 2fxr s PRO 161 Ca -0.03 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 2fxr s PRO 161 Cb -0.12 -3.38 0.08 0.00 0.04 0.00 0.00 34.50 31.11 2fxr s PRO 161 CO 0.02 0.22 1.18 0.42 0.04 0.00 0.00 177.00 178.88 2fxr s ILE 162 N 0.16 2.32 -0.00 0.56 -1.09 -1.01 -2.72 121.20 119.41 2fxr s ILE 162 Ca 0.40 0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2fxr s ILE 162 Cb -0.20 -2.52 -0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2fxr s ILE 162 CO 0.23 -0.11 0.01 -0.04 -1.23 0.00 0.00 174.94 173.81 2fxr s MET 163 N -4.24 0.05 0.21 2.79 -1.94 0.19 -1.28 119.30 115.08 2fxr s MET 163 Ca 0.71 -0.05 -0.32 0.00 -1.71 0.00 0.00 55.69 54.31 2fxr s MET 163 Cb -0.26 0.02 -0.13 0.00 2.01 0.00 0.00 34.83 36.47 2fxr s MET 163 CO 0.50 -0.01 1.51 -1.91 -0.01 0.00 0.00 175.02 175.10 2fxr n GLU 164 N 2.90 2.16 -0.25 2.03 2.13 -1.26 -4.30 120.64 124.06 2fxr n GLU 164 Ca -0.13 0.77 0.02 0.00 0.66 0.00 0.00 57.16 58.48 2fxr n GLU 164 Cb 0.59 -2.50 0.10 0.00 0.27 0.00 0.00 31.44 29.91 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 5.10 -0.55 -0.44 4.31 -1.24 -1.93 0.48 115.58 121.31 2fxr h ASN 165 Ca -0.45 0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.71 2fxr h ASN 165 Cb 1.26 0.40 -0.02 0.00 0.73 0.00 0.00 38.32 40.69 2fxr h ASN 165 CO 0.82 -0.21 0.11 -0.74 -1.29 0.00 0.00 177.43 176.12 2fxr h HIS 166 N 0.03 0.80 -0.56 0.67 2.76 -1.92 -1.98 115.15 114.95 2fxr h HIS 166 Ca 0.36 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2fxr h HIS 166 Cb 0.59 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 2fxr h HIS 166 CO -0.51 0.69 0.13 0.82 -1.30 0.00 0.00 177.93 177.75 2fxr h ILE 167 N 0.75 1.23 -0.12 6.26 1.08 -1.28 0.14 117.51 125.57 2fxr h ILE 167 Ca 0.16 -0.85 -0.22 0.00 -0.39 0.00 0.00 64.86 63.56 2fxr h ILE 167 Cb 0.30 0.66 0.01 0.00 -3.07 0.00 0.00 36.82 34.72 2fxr h ILE 167 CO 0.00 0.32 -0.81 0.00 -0.69 0.00 0.00 178.15 176.97 2fxr h ASP 169 N 0.47 0.21 -0.60 0.00 3.58 -1.09 -0.05 116.42 118.95 2fxr h ASP 169 Ca -0.06 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.45 2fxr h ASP 169 Cb 1.43 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.41 2fxr h ASP 169 CO 0.16 0.16 0.34 0.00 -2.88 0.00 0.00 179.24 177.02 2fxr h ALA 170 N 1.15 0.78 -0.42 -0.78 0.00 -0.62 -2.29 119.26 117.08 2fxr h ALA 170 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2fxr h ALA 170 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2fxr h ALA 170 CO -0.08 0.03 0.22 0.87 0.00 0.00 0.00 179.25 180.29 2fxr h LYS 171 N 0.65 0.59 0.00 0.00 1.57 -0.57 -2.21 116.57 116.60 2fxr h LYS 171 Ca 0.26 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2fxr h LYS 171 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2fxr h LYS 171 CO -0.14 0.48 0.00 0.66 -0.57 0.00 0.00 179.45 179.88 2fxr n TYR 172 N -4.71 0.32 0.24 -1.35 4.02 -0.09 -1.41 117.16 114.18 2fxr n TYR 172 Ca 0.00 0.16 0.11 0.00 -0.01 0.00 0.00 57.90 58.17 2fxr n TYR 172 Cb 0.09 -0.76 0.01 0.00 -0.02 0.00 0.00 39.34 38.66 2fxr n TYR 172 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2fxr n HIS 173 N -1.82 0.68 -2.23 -0.72 8.25 -0.83 -4.65 115.22 113.89 2fxr n HIS 173 Ca 0.00 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 2fxr n HIS 173 Cb 0.05 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.36 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 -4.85 4.35 -0.26 2.41 1.43 -0.50 -2.00 118.68 119.26 2fxr s LEU 173 Ca 0.00 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 2fxr s LEU 173 Cb 0.11 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2fxr s LEU 173 CO 0.80 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2fxr n GLY 173 N 3.51 0.57 3.27 -3.19 0.00 -1.26 -5.01 105.19 103.07 2fxr n GLY 173 Ca 0.12 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.96 1.83 -0.44 4.61 0.00 -0.85 -5.02 121.76 119.93 2fxr s ALA 173 Ca 0.00 -1.12 0.26 0.00 0.00 0.00 0.00 51.96 51.10 2fxr s ALA 173 Cb 0.00 -0.34 0.80 0.00 0.00 0.00 0.00 23.12 23.58 2fxr s ALA 173 CO 0.00 0.41 1.75 1.88 0.00 0.00 0.00 175.76 179.80 2fxr h TYR 173 N 4.72 0.00 -2.25 0.00 0.05 -1.95 -3.46 116.97 114.09 2fxr h TYR 173 Ca -0.44 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.76 2fxr h TYR 173 Cb 1.16 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.95 2fxr h TYR 173 CO 0.52 0.00 0.87 2.41 -1.05 0.00 0.00 178.16 180.90 2fxr n THR 173 N -2.66 0.11 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.37 2fxr n THR 173 Ca 0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2fxr n THR 173 Cb 0.40 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 3.62 -2.86 0.00 3.41 0.00 -1.26 -4.92 105.19 103.18 2fxr n GLY 173 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.53 1.61 8.00 -1.26 -4.77 116.55 115.60 2fxr n ASP 173 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2fxr n ASP 173 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2fxr n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fxr s VAL 173 N 0.00 5.02 0.05 2.53 1.01 -1.26 -5.03 120.40 122.72 2fxr s VAL 173 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 2fxr s VAL 173 Cb 0.00 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 2fxr s VAL 173 CO 0.00 -0.30 1.89 -1.14 0.00 0.00 0.00 175.10 175.55 2fxr n ARG 174 N 5.75 2.67 -0.07 2.72 3.00 -1.26 -4.90 116.66 124.56 2fxr n ARG 174 Ca -0.05 0.98 -0.15 0.00 -0.00 0.00 0.00 57.85 58.62 2fxr n ARG 174 Cb 0.48 -2.88 -0.05 0.00 0.00 0.00 0.00 32.46 30.01 2fxr n ARG 174 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2fxr n ILE 175 N 5.07 0.96 -3.16 5.15 5.41 -1.26 -4.85 119.36 126.68 2fxr n ILE 175 Ca 0.20 -0.14 -0.43 0.00 1.00 0.00 0.00 62.75 63.38 2fxr n ILE 175 Cb 0.37 -1.77 -0.07 0.00 -0.71 0.00 0.00 39.64 37.45 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 4.90 0.60 1.39 1.01 -1.26 -4.98 120.40 119.72 2fxr s VAL 176 Ca -0.21 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2fxr s VAL 176 Cb 0.07 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2fxr s VAL 176 CO 0.27 -0.50 0.89 -0.13 0.00 0.00 0.00 175.10 175.63 2fxr s ARG 177 N 2.65 2.74 0.65 2.72 0.52 -1.26 -4.80 118.95 122.17 2fxr s ARG 177 Ca 0.21 -0.18 0.41 0.00 -0.52 0.00 0.00 55.73 55.64 2fxr s ARG 177 Cb -0.15 -2.30 2.28 0.00 0.52 0.00 0.00 34.95 35.31 2fxr s ARG 177 CO 0.17 -0.78 2.34 -0.44 0.02 0.00 0.00 175.30 176.62 2fxr h ASP 178 N -0.19 0.00 -0.42 0.23 3.32 -1.98 -0.97 116.42 116.41 2fxr h ASP 178 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2fxr h ASP 178 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2fxr h ASP 178 CO 0.59 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.21 2fxr n ASP 179 N -3.27 2.55 -4.71 6.45 5.75 -1.26 -4.89 116.55 117.17 2fxr n ASP 179 Ca -0.03 -2.08 -0.23 0.00 -0.01 0.00 0.00 54.79 52.43 2fxr n ASP 179 Cb 0.08 -0.34 -0.07 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.51 2.30 0.02 0.11 -1.94 -0.37 -0.73 119.30 117.18 2fxr s MET 180 Ca 0.30 -1.60 -0.04 0.00 -1.71 0.00 0.00 55.69 52.64 2fxr s MET 180 Cb 0.17 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.88 2fxr s MET 180 CO 0.18 0.12 0.05 -1.17 -0.01 0.00 0.00 175.02 174.20 2fxr s LEU 181 N -3.81 1.93 0.02 -0.03 0.20 0.30 -4.51 118.68 112.78 2fxr s LEU 181 Ca 0.37 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.76 2fxr s LEU 181 Cb -0.02 0.41 -0.02 0.00 -0.43 0.00 0.00 46.19 46.14 2fxr s LEU 181 CO 0.22 -0.39 -0.04 0.00 -0.29 0.00 0.00 176.35 175.85 2fxr s ALA 183 N -1.02 -0.89 0.00 0.00 0.00 -0.83 -0.64 121.76 118.39 2fxr s ALA 183 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2fxr s ALA 183 Cb -0.07 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2fxr s ALA 183 CO -0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2fxr n GLY 184 N -0.26 2.42 0.00 0.00 0.00 -1.10 -1.62 105.19 104.63 2fxr n GLY 184 Ca -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 2.04 -0.43 -4.74 115.26 113.74 2fxr n ASN 185 Ca 0.00 -0.97 0.09 0.00 -0.44 0.00 0.00 54.58 53.26 2fxr n ASN 185 Cb 0.00 0.00 0.45 0.00 -2.53 0.00 0.00 39.78 37.70 2fxr n ASN 185 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2fxr n THR 186 N 0.00 0.40 -0.06 5.53 -2.24 -1.26 -3.40 114.28 113.25 2fxr n THR 186 Ca 0.00 0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.80 2fxr n THR 186 Cb 0.00 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.23 0.34 -5.01 -0.78 1.74 -1.26 -4.81 116.66 105.65 2fxr n ARG 187 Ca 0.09 0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.91 2fxr n ARG 187 Cb 0.12 -1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.24 3.05 -0.10 5.56 0.52 -1.22 -3.62 118.95 120.90 2fxr s ARG 188 Ca -0.16 -0.78 -0.33 0.00 -0.52 0.00 0.00 55.73 53.94 2fxr s ARG 188 Cb 0.04 -2.42 0.14 0.00 0.52 0.00 0.00 34.95 33.22 2fxr s ARG 188 CO 0.28 0.28 1.32 0.34 0.02 0.00 0.00 175.30 177.54 2fxr s ASP 189 N 0.14 -0.05 0.22 0.23 -1.08 -1.13 -1.31 116.67 113.69 2fxr s ASP 189 Ca -0.10 -0.06 0.03 0.00 -0.52 0.00 0.00 52.55 51.90 2fxr s ASP 189 Cb -0.16 0.10 -0.03 0.00 -1.46 0.00 0.00 42.92 41.37 2fxr s ASP 189 CO 0.06 -0.18 0.36 -0.94 0.52 0.00 0.00 175.17 174.99 2fxr s SER 190 N -2.71 6.33 0.00 -0.34 1.04 -1.26 0.16 113.70 116.92 2fxr s SER 190 Ca 0.13 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2fxr s SER 190 Cb 0.04 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2fxr s SER 190 CO -0.05 -0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.11 2fxr s GLN 192 N -1.12 4.14 0.00 0.00 1.11 -1.26 -1.66 119.66 120.87 2fxr s GLN 192 Ca 0.00 2.58 0.00 0.00 0.01 0.00 0.00 55.36 57.95 2fxr s GLN 192 Cb 0.00 -3.52 0.00 0.00 -1.01 0.00 0.00 33.01 28.48 2fxr s GLN 192 CO 0.00 -0.82 0.00 0.41 0.01 0.00 0.00 175.29 174.89 2fxr n GLY 193 N 4.19 1.65 0.05 3.09 0.00 -1.26 0.12 105.19 113.02 2fxr n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.41 -4.37 1.61 8.00 -0.66 -3.58 116.55 117.95 2fxr n ASP 194 Ca 0.00 0.04 -0.55 0.00 0.71 0.00 0.00 54.79 54.99 2fxr n ASP 194 Cb 0.00 1.27 -0.07 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.33 -0.26 0.00 -2.24 7.64 -1.26 -0.07 113.62 115.11 2fxr n SER 195 Ca -0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2fxr n SER 195 Cb 0.53 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 1.57 1.15 3.82 0.23 0.00 -0.07 0.38 105.19 112.27 2fxr n GLY 196 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.86 1.63 0.12 -0.02 0.00 0.91 -2.63 107.32 105.46 2fxr s GLY 197 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2fxr s GLY 197 CO 0.00 -0.14 0.28 2.56 0.00 0.00 0.00 173.10 175.80 2fxr s PRO 198 N -5.51 3.47 -0.19 2.90 0.04 -1.26 -1.04 135.00 133.41 2fxr s PRO 198 Ca 0.67 -0.44 0.01 0.00 0.04 0.00 0.00 61.00 61.28 2fxr s PRO 198 Cb -0.11 -2.97 0.03 0.00 0.04 0.00 0.00 34.50 31.50 2fxr s PRO 198 CO 0.53 0.53 -0.15 -1.17 0.04 0.00 0.00 177.00 176.78 2fxr s LEU 199 N -2.88 2.31 0.17 -3.56 2.96 -0.45 -3.29 118.68 113.94 2fxr s LEU 199 Ca 0.36 -0.81 0.10 0.00 -0.22 0.00 0.00 54.13 53.56 2fxr s LEU 199 Cb -0.12 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2fxr s LEU 199 CO 0.28 -0.08 -0.21 0.68 -1.32 0.00 0.00 176.35 175.70 2fxr s VAL 200 N 1.32 2.05 0.01 1.68 -7.23 0.06 -0.51 120.40 117.77 2fxr s VAL 200 Ca 0.01 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2fxr s VAL 200 Cb -0.15 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 2fxr s VAL 200 CO -0.10 -0.18 -0.02 0.00 -0.31 0.00 0.00 175.10 174.48 2fxr s LYS 202 N -0.48 3.93 -0.15 0.00 2.20 -1.26 -2.21 119.74 121.77 2fxr s LYS 202 Ca -0.04 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2fxr s LYS 202 Cb -0.03 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 2fxr s LYS 202 CO -0.00 -0.73 -0.19 0.08 -0.36 0.00 0.00 175.35 174.15 2fxr s VAL 203 N 3.05 1.90 -1.73 4.02 1.01 0.33 -4.66 120.40 124.32 2fxr s VAL 203 Ca 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2fxr s VAL 203 Cb -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2fxr s VAL 203 CO 0.14 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.34 2fxr n ASN 204 N 4.45 -4.66 0.00 3.32 5.03 -1.26 -1.68 115.26 120.46 2fxr n ASN 204 Ca -0.20 0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.58 2fxr n ASN 204 Cb 0.51 -4.12 0.00 0.00 -1.02 0.00 0.00 39.78 35.15 2fxr n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2fxr n GLY 205 N -0.48 0.73 3.10 7.41 0.00 -1.26 -5.09 105.19 109.61 2fxr n GLY 205 Ca -0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 0.10 -0.10 2.61 -4.23 -0.68 -5.12 115.64 106.22 2fxr s THR 206 Ca 0.00 -0.82 -0.22 0.00 -1.18 0.00 0.00 61.69 59.46 2fxr s THR 206 Cb 0.00 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 2fxr s THR 206 CO 0.00 -0.45 0.67 0.26 -0.54 0.00 0.00 174.62 174.55 2fxr s TRP 207 N -1.76 3.53 -0.02 3.99 0.52 -1.26 -0.51 118.94 123.42 2fxr s TRP 207 Ca -0.12 1.15 0.05 0.00 0.02 0.00 0.00 56.10 57.20 2fxr s TRP 207 Cb -0.06 -2.78 -0.01 0.00 -1.15 0.00 0.00 33.47 29.47 2fxr s TRP 207 CO -0.00 0.04 -0.17 -0.51 0.02 0.00 0.00 176.95 176.32 2fxr s LEU 208 N 1.04 2.02 -0.47 2.99 1.43 -0.94 -3.52 118.68 121.23 2fxr s LEU 208 Ca 0.34 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.89 2fxr s LEU 208 Cb -0.17 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.20 2fxr s LEU 208 CO 0.15 0.20 0.92 -1.58 0.23 0.00 0.00 176.35 176.27 2fxr s GLN 209 N -0.36 3.49 0.09 1.70 0.74 -0.56 -1.77 119.66 122.99 2fxr s GLN 209 Ca 0.06 0.08 0.12 0.00 0.05 0.00 0.00 55.36 55.67 2fxr s GLN 209 Cb -0.07 -3.95 -0.15 0.00 1.10 0.00 0.00 33.01 29.94 2fxr s GLN 209 CO -0.00 -1.25 1.04 0.00 -0.55 0.00 0.00 175.29 174.52 2fxr h ALA 210 N 9.11 0.59 -2.90 1.58 0.00 -1.15 -3.39 119.26 123.10 2fxr h ALA 210 Ca -0.24 -0.97 -0.07 0.00 0.00 0.00 0.00 54.91 53.62 2fxr h ALA 210 Cb 1.08 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2fxr h ALA 210 CO 1.03 1.17 -0.01 0.20 0.00 0.00 0.00 179.25 181.63 2fxr s GLY 211 N -4.80 0.59 -0.08 0.00 0.00 -1.04 -1.91 107.32 100.10 2fxr s GLY 211 Ca -0.01 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2fxr s GLY 211 CO 0.81 -0.56 -0.22 0.14 0.00 0.00 0.00 173.10 173.26 2fxr s VAL 212 N -3.54 1.90 -0.14 1.40 1.01 -1.12 -1.34 120.40 118.57 2fxr s VAL 212 Ca 0.21 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2fxr s VAL 212 Cb -0.02 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 2fxr s VAL 212 CO 0.11 0.53 2.14 0.52 0.00 0.00 0.00 175.10 178.40 2fxr n VAL 213 N 3.35 0.48 0.00 2.92 0.31 -0.21 -1.58 118.33 123.61 2fxr n VAL 213 Ca -0.19 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2fxr n VAL 213 Cb 0.53 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 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 10.22 0.00 -0.70 4.52 2.88 -1.08 -0.89 113.62 128.56 2fxr n SER 214 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2fxr n SER 214 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.50 -0.03 0.00 0.66 4.27 -1.00 -4.88 117.44 115.95 2fxr n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2fxr n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 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 0.00 3.28 3.49 -1.67 0.00 -1.26 -1.68 105.19 107.35 2fxr n GLY 216 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.02 3.29 2.05 1.61 2.12 -1.26 -4.87 118.70 119.62 2fxr s GLU 217 Ca 0.00 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.39 2fxr s GLU 217 Cb 0.00 -4.51 0.00 0.00 0.26 0.00 0.00 34.13 29.88 2fxr s GLU 217 CO 0.00 -1.93 0.00 0.41 -0.54 0.00 0.00 175.26 173.20 2fxr n GLY 219 N 5.58 -0.84 3.08 -1.50 0.00 -1.26 -4.55 105.19 105.71 2fxr n GLY 219 Ca 0.08 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 3.70 -0.93 -1.95 0.00 0.00 -1.26 -4.75 120.51 115.32 2fxr n ALA 221 Ca -0.22 0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2fxr n ALA 221 Cb 0.52 -2.62 -0.06 0.00 0.00 0.00 0.00 19.45 17.29 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 -5.59 4.31 0.12 0.00 -1.52 -1.26 -4.20 119.66 111.51 2fxr s GLN 221 Ca 0.23 1.03 -0.35 0.00 -1.95 0.00 0.00 55.36 54.32 2fxr s GLN 221 Cb -0.12 -2.62 -0.15 0.00 -0.22 0.00 0.00 33.01 29.90 2fxr s GLN 221 CO 0.29 0.23 1.51 -0.35 -0.25 0.00 0.00 175.29 176.71 2fxr n PRO 222 N 0.18 1.78 -2.28 2.91 -0.04 -1.26 -1.22 135.00 135.07 2fxr n PRO 222 Ca 0.02 0.64 -0.17 0.00 -0.04 0.00 0.00 63.50 63.95 2fxr n PRO 222 Cb 0.52 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 2fxr n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2fxr n ASN 223 N 3.23 -4.96 -3.18 3.54 3.02 -1.26 -4.91 115.26 110.76 2fxr n ASN 223 Ca 0.18 0.13 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 2fxr n ASN 223 Cb 0.25 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.18 2fxr n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2fxr n ARG 224 N -2.81 1.31 -1.11 3.52 5.12 -0.35 -3.81 116.66 118.52 2fxr n ARG 224 Ca -0.20 -3.62 -0.34 0.00 -1.93 0.00 0.00 57.85 51.76 2fxr n ARG 224 Cb 0.64 -1.67 0.11 0.00 -1.16 0.00 0.00 32.46 30.38 2fxr n ARG 224 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2fxr n PRO 225 N 0.59 0.17 -2.10 5.56 -0.04 -1.26 -4.28 135.00 133.63 2fxr n PRO 225 Ca 0.25 0.12 -0.41 0.00 -0.04 0.00 0.00 63.50 63.42 2fxr n PRO 225 Cb 0.57 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 2fxr n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2fxr s GLY 226 N -1.96 2.65 -0.16 0.55 0.00 -0.64 -4.75 107.32 103.01 2fxr s GLY 226 Ca 0.70 1.25 -0.06 0.00 0.00 0.00 0.00 44.72 46.61 2fxr s GLY 226 CO 0.54 2.07 0.04 -0.42 0.00 0.00 0.00 173.10 175.33 2fxr s ILE 227 N -0.49 4.60 0.15 0.90 -1.09 -0.67 -1.96 121.20 122.65 2fxr s ILE 227 Ca 0.54 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.93 2fxr s ILE 227 Cb -0.40 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2fxr s ILE 227 CO 0.46 0.50 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.20 2fxr s TYR 228 N 0.04 1.65 -0.42 3.97 1.51 0.66 -2.39 117.35 122.37 2fxr s TYR 228 Ca 0.04 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.30 2fxr s TYR 228 Cb -0.12 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2fxr s TYR 228 CO 0.01 0.26 1.12 0.99 -1.11 0.00 0.00 175.55 176.82 2fxr s THR 229 N -2.13 4.31 -0.13 -0.71 2.01 -0.61 0.11 115.64 118.48 2fxr s THR 229 Ca 0.13 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 2fxr s THR 229 Cb -0.05 -4.52 -0.08 0.00 0.01 0.00 0.00 72.50 67.86 2fxr s THR 229 CO 0.05 -0.81 2.10 -1.14 -0.69 0.00 0.00 174.62 174.14 2fxr n ARG 230 N 7.49 2.21 -0.11 4.92 0.63 0.09 -2.81 116.66 129.08 2fxr n ARG 230 Ca 0.12 0.71 -0.11 0.00 -0.92 0.00 0.00 57.85 57.66 2fxr n ARG 230 Cb 0.48 -3.03 -0.03 0.00 0.45 0.00 0.00 32.46 30.34 2fxr n ARG 230 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2fxr h VAL 231 N 6.45 1.25 -0.99 5.15 2.07 -1.67 -2.89 116.25 125.62 2fxr h VAL 231 Ca -0.44 -0.89 0.26 0.00 0.82 0.00 0.00 66.70 66.45 2fxr h VAL 231 Cb 1.25 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 2fxr h VAL 231 CO 0.96 0.29 0.68 0.71 0.02 0.00 0.00 177.57 180.22 2fxr h THR 232 N 0.35 0.55 -0.24 2.57 1.35 -1.87 -0.47 112.91 115.16 2fxr h THR 232 Ca 0.09 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 2fxr h THR 232 Cb 0.40 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2fxr h THR 232 CO 0.01 0.04 0.08 0.22 -0.25 0.00 0.00 175.52 175.62 2fxr h TYR 233 N 0.23 0.33 -0.20 4.73 5.03 -1.88 -3.14 116.97 122.07 2fxr h TYR 233 Ca 0.51 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.82 2fxr h TYR 233 Cb 1.60 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.78 2fxr h TYR 233 CO -0.00 0.28 0.00 0.66 -1.32 0.00 0.00 178.16 177.78 2fxr n TYR 234 N -4.42 0.33 -0.28 -3.82 4.01 -0.22 -4.73 117.16 108.04 2fxr n TYR 234 Ca 0.01 -0.57 0.09 0.00 -0.16 0.00 0.00 57.90 57.27 2fxr n TYR 234 Cb 0.14 -0.07 0.24 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.20 0.04 -1.14 7.72 3.38 -1.42 0.20 115.31 125.30 2fxr h LEU 235 Ca 0.00 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2fxr h LEU 235 Cb 0.75 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2fxr h LEU 235 CO 0.02 -0.08 0.59 0.44 0.09 0.00 0.00 178.44 179.50 2fxr h ASP 236 N 0.26 0.97 -0.21 -0.43 3.45 -1.85 0.17 116.42 118.80 2fxr h ASP 236 Ca 0.49 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.86 2fxr h ASP 236 Cb 0.91 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.44 2fxr h ASP 236 CO -0.57 0.67 -0.17 -0.25 -1.57 0.00 0.00 179.24 177.35 2fxr h TRP 237 N 1.13 0.58 -0.09 4.55 7.01 -1.04 -3.03 115.95 125.06 2fxr h TRP 237 Ca 0.35 -0.16 0.01 0.00 2.11 0.00 0.00 58.89 61.20 2fxr h TRP 237 Cb -0.00 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 2fxr h TRP 237 CO -0.00 0.81 0.02 0.82 -2.79 0.00 0.00 178.44 177.31 2fxr h ILE 238 N 0.17 0.97 0.00 2.65 2.04 -0.52 -2.51 117.51 120.32 2fxr h ILE 238 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2fxr h ILE 238 Cb 0.70 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2fxr h ILE 238 CO 0.04 0.01 0.00 1.41 0.00 0.00 0.00 178.15 179.62 2fxr n HIS 239 N -5.08 0.00 0.45 1.37 8.25 0.56 -0.68 115.22 120.09 2fxr n HIS 239 Ca -0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.54 2fxr n HIS 239 Cb 0.05 -0.19 0.37 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.31 -3.36 115.15 121.05 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 0.08 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.01 2fxr h HIS 240 CO 0.00 0.00 -0.93 0.66 0.71 0.00 0.00 177.93 178.37 2fxr n TYR 241 N -2.57 0.00 -3.05 5.26 4.01 -0.70 -5.01 117.16 115.10 2fxr n TYR 241 Ca 0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.35 2fxr n TYR 241 Cb 0.42 0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.95 4.76 0.34 -0.72 1.01 0.14 -5.04 120.40 118.94 2fxr s VAL 242 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 2fxr s VAL 242 Cb 0.00 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 2fxr s VAL 242 CO 0.00 -0.62 1.17 -2.65 0.00 0.00 0.00 175.10 173.00 2fxr n PRO 243 N 6.42 1.78 0.00 2.72 -0.02 -1.26 -4.34 135.00 140.30 2fxr n PRO 243 Ca -0.00 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2fxr n PRO 243 Cb 0.48 -2.15 0.75 0.00 -0.02 0.00 0.00 33.50 32.55 2fxr n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11