#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf3 s LEU 4 N 0.00 2.25 -0.22 3.14 1.43 -1.26 -2.16 118.68 121.85 1xf3 s LEU 4 Ca 0.00 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1xf3 s LEU 4 Cb 0.00 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1xf3 s LEU 4 CO 0.00 -0.07 0.05 -0.22 0.23 0.00 0.00 176.35 176.34 1xf3 s LEU 5 N 1.33 3.49 0.27 1.79 2.96 -0.08 -4.20 118.68 124.24 1xf3 s LEU 5 Ca 0.02 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1xf3 s LEU 5 Cb -0.15 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1xf3 s LEU 5 CO -0.10 0.05 0.40 -1.61 -1.32 0.00 0.00 176.35 173.76 1xf3 s GLU 6 N 1.12 3.34 1.13 1.98 2.02 -1.26 0.10 118.70 127.13 1xf3 s GLU 6 Ca 0.04 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.03 1xf3 s GLU 6 Cb -0.14 -2.86 0.26 0.00 0.10 0.00 0.00 34.13 31.48 1xf3 s GLU 6 CO 0.03 0.30 1.12 -1.54 0.02 0.00 0.00 175.26 175.19 1xf3 s SER 7 N -4.04 1.51 0.97 -0.19 1.04 -1.06 -4.98 113.70 106.95 1xf3 s SER 7 Ca 0.38 0.73 -0.15 0.00 0.48 0.00 0.00 55.95 57.39 1xf3 s SER 7 Cb -0.09 -1.05 0.21 0.00 0.10 0.00 0.00 66.02 65.19 1xf3 s SER 7 CO 0.30 -3.77 1.29 0.61 0.98 0.00 0.00 173.24 172.65 1xf3 n GLY 8 N -1.24 -1.23 3.68 7.32 0.00 -1.26 -4.55 105.19 107.90 1xf3 n GLY 8 Ca 0.11 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1xf3 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xf3 s PRO 9 N -5.80 1.14 -0.07 1.61 0.04 -1.26 -4.59 135.00 126.06 1xf3 s PRO 9 Ca 0.74 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 1xf3 s PRO 9 Cb -0.02 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1xf3 s PRO 9 CO 0.52 -2.51 0.19 -2.00 0.04 0.00 0.00 177.00 173.24 1xf3 s GLU 10 N -4.69 0.20 -0.20 4.56 2.56 0.49 -4.94 118.70 116.68 1xf3 s GLU 10 Ca 0.66 0.31 0.01 0.00 0.00 0.00 0.00 54.97 55.95 1xf3 s GLU 10 Cb -0.22 0.05 0.04 0.00 2.00 0.00 0.00 34.13 35.99 1xf3 s GLU 10 CO 0.58 -0.06 -0.14 -0.51 -0.56 0.00 0.00 175.26 174.57 1xf3 s LEU 11 N 0.37 2.40 0.08 2.70 1.43 -1.26 -0.42 118.68 123.97 1xf3 s LEU 11 Ca -0.02 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1xf3 s LEU 11 Cb -0.04 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1xf3 s LEU 11 CO -0.02 -0.10 -0.13 0.68 0.23 0.00 0.00 176.35 177.01 1xf3 s VAL 12 N 1.32 1.06 0.47 -1.59 -7.23 -0.37 -5.00 120.40 109.06 1xf3 s VAL 12 Ca -0.00 -1.35 -0.08 0.00 -1.81 0.00 0.00 61.98 58.73 1xf3 s VAL 12 Cb -0.16 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 1xf3 s VAL 12 CO -0.09 -0.29 0.82 -0.54 -0.31 0.00 0.00 175.10 174.69 1xf3 s LYS 13 N -1.91 3.66 0.34 4.82 1.02 -1.26 -1.74 119.74 124.68 1xf3 s LYS 13 Ca -0.01 0.41 -0.29 0.00 0.02 0.00 0.00 55.97 56.10 1xf3 s LYS 13 Cb -0.09 -2.33 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 1xf3 s LYS 13 CO 0.02 -0.19 1.53 -2.30 -0.92 0.00 0.00 175.35 173.48 1xf3 n PRO 14 N -1.93 2.68 0.00 -1.68 -0.02 -1.26 -2.28 135.00 130.50 1xf3 n PRO 14 Ca 0.02 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1xf3 n PRO 14 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1xf3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf3 n GLY 15 N 1.11 2.76 3.95 -1.23 0.00 -0.50 -4.85 105.19 106.42 1xf3 n GLY 15 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1xf3 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf3 s ALA 16 N -2.43 2.61 0.22 4.61 0.00 -0.96 -4.24 121.76 121.58 1xf3 s ALA 16 Ca 0.00 -1.36 0.10 0.00 0.00 0.00 0.00 51.96 50.70 1xf3 s ALA 16 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1xf3 s ALA 16 CO 0.00 -2.20 -0.19 -1.12 0.00 0.00 0.00 175.76 172.25 1xf3 s SER 17 N -4.86 3.13 0.01 0.00 0.01 -1.26 -2.11 113.70 108.62 1xf3 s SER 17 Ca 0.72 -0.97 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1xf3 s SER 17 Cb -0.04 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 1xf3 s SER 17 CO 0.51 -0.02 -0.12 0.68 0.41 0.00 0.00 173.24 174.70 1xf3 s VAL 18 N -2.40 0.95 -0.16 3.43 -7.23 -0.91 -5.00 120.40 109.08 1xf3 s VAL 18 Ca 0.24 -0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1xf3 s VAL 18 Cb -0.05 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 1xf3 s VAL 18 CO 0.10 0.11 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.13 1xf3 s LYS 19 N -0.70 3.30 0.12 4.82 2.20 -1.26 -1.16 119.74 127.06 1xf3 s LYS 19 Ca 0.02 -0.71 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1xf3 s LYS 19 Cb -0.06 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1xf3 s LYS 19 CO 0.00 0.06 -0.13 0.00 -0.36 0.00 0.00 175.35 174.92 1xf3 s MET 20 N 0.74 1.97 0.32 4.03 0.23 -0.83 -4.99 119.30 120.77 1xf3 s MET 20 Ca -0.06 -1.12 0.09 0.00 -1.03 0.00 0.00 55.69 53.57 1xf3 s MET 20 Cb -0.15 -2.20 -0.04 0.00 -1.53 0.00 0.00 34.83 30.90 1xf3 s MET 20 CO 0.01 0.49 0.10 -1.54 -2.03 0.00 0.00 175.02 172.05 1xf3 s SER 21 N -2.26 4.63 -0.32 -1.18 1.04 -1.26 -1.96 113.70 112.39 1xf3 s SER 21 Ca 0.20 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1xf3 s SER 21 Cb -0.11 -0.75 0.16 0.00 0.10 0.00 0.00 66.02 65.42 1xf3 s SER 21 CO 0.12 -0.23 0.39 0.00 0.98 0.00 0.00 173.24 174.51 1xf3 s LYS 23 N 2.21 3.27 0.36 0.00 -2.85 0.11 -1.43 119.74 121.41 1xf3 s LYS 23 Ca 0.12 1.04 -0.27 0.00 -1.00 0.00 0.00 55.97 55.86 1xf3 s LYS 23 Cb -0.13 -4.18 -0.09 0.00 -2.06 0.00 0.00 37.83 31.38 1xf3 s LYS 23 CO -0.23 -1.94 1.17 0.00 0.10 0.00 0.00 175.35 174.44 1xf3 s ALA 24 N 6.79 3.27 0.10 0.59 0.00 0.16 -0.90 121.76 131.77 1xf3 s ALA 24 Ca 0.69 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1xf3 s ALA 24 Cb -0.17 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.65 1xf3 s ALA 24 CO 0.30 -0.44 0.81 -1.54 0.00 0.00 0.00 175.76 174.89 1xf3 s SER 25 N -0.98 -0.37 0.00 0.00 1.04 -0.92 -4.74 113.70 107.73 1xf3 s SER 25 Ca 0.52 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1xf3 s SER 25 Cb -0.32 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1xf3 s SER 25 CO 0.41 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1xf3 n GLY 26 N -0.35 0.63 3.79 7.32 0.00 -1.26 -1.67 105.19 113.66 1xf3 n GLY 26 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1xf3 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf3 s TYR 27 N -2.09 -0.03 -0.44 1.61 -0.85 -1.26 -4.87 117.35 109.42 1xf3 s TYR 27 Ca 0.00 -0.28 -0.24 0.00 -0.52 0.00 0.00 57.07 56.03 1xf3 s TYR 27 Cb 0.00 0.65 0.02 0.00 0.38 0.00 0.00 41.96 43.01 1xf3 s TYR 27 CO 0.00 -0.77 0.84 0.99 -1.52 0.00 0.00 175.55 175.09 1xf3 s THR 28 N -2.68 4.60 0.20 -3.49 2.01 -1.26 -4.96 115.64 110.06 1xf3 s THR 28 Ca 0.17 0.64 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 1xf3 s THR 28 Cb -0.01 -4.34 0.13 0.00 0.01 0.00 0.00 72.50 68.29 1xf3 s THR 28 CO 0.03 -0.71 1.85 2.19 -0.69 0.00 0.00 174.62 177.29 1xf3 h PHE 29 N 8.92 0.82 0.00 4.92 -0.00 -1.96 -2.34 116.94 127.30 1xf3 h PHE 29 Ca -0.24 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.75 1xf3 h PHE 29 Cb 1.08 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.76 1xf3 h PHE 29 CO 0.82 0.48 0.00 2.41 -0.00 0.00 0.00 178.31 182.03 1xf3 n THR 30 N -4.66 0.85 0.06 0.88 -1.04 -1.26 -2.00 114.28 107.12 1xf3 n THR 30 Ca 0.07 0.21 -0.11 0.00 -2.04 0.00 0.00 64.05 62.18 1xf3 n THR 30 Cb 0.07 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 1xf3 n THR 30 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xf3 h SER 31 N 0.00 0.48 -4.29 8.00 0.02 -1.84 -3.36 113.55 112.55 1xf3 h SER 31 Ca 0.00 -0.35 -0.52 0.00 -0.84 0.00 0.00 61.79 60.08 1xf3 h SER 31 Cb 0.19 -0.14 -0.27 0.00 0.14 0.00 0.00 62.40 62.31 1xf3 h SER 31 CO 0.00 1.13 -0.82 -0.31 -1.14 0.00 0.00 176.83 175.69 1xf3 s TYR 32 N -3.40 1.47 0.92 3.45 2.02 -0.85 -5.01 117.35 115.95 1xf3 s TYR 32 Ca -0.05 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1xf3 s TYR 32 Cb 0.10 -0.91 0.14 0.00 -0.40 0.00 0.00 41.96 40.88 1xf3 s TYR 32 CO 0.85 0.02 1.09 0.14 -1.57 0.00 0.00 175.55 176.08 1xf3 s VAL 33 N -0.59 2.58 -0.14 0.71 -7.23 -1.26 -4.55 120.40 109.92 1xf3 s VAL 33 Ca 0.05 0.19 -0.01 0.00 -1.81 0.00 0.00 61.98 60.41 1xf3 s VAL 33 Cb -0.07 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1xf3 s VAL 33 CO 0.00 -0.25 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.17 1xf3 s MET 34 N -4.84 1.41 0.47 4.82 1.75 -0.26 -2.03 119.30 120.62 1xf3 s MET 34 Ca 0.64 -0.35 -0.02 0.00 -1.25 0.00 0.00 55.69 54.71 1xf3 s MET 34 Cb -0.19 -1.75 -0.01 0.00 2.84 0.00 0.00 34.83 35.72 1xf3 s MET 34 CO 0.58 -0.35 0.73 -1.01 -0.65 0.00 0.00 175.02 174.31 1xf3 s HIS 35 N 1.70 3.32 -0.00 4.11 3.76 0.57 -1.63 115.29 127.12 1xf3 s HIS 35 Ca 0.03 0.43 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1xf3 s HIS 35 Cb -0.14 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 1xf3 s HIS 35 CO -0.08 -0.39 -0.08 -1.58 -0.85 0.00 0.00 174.74 171.76 1xf3 s TRP 36 N -2.65 0.72 -0.01 1.40 0.52 -0.64 -0.89 118.94 117.38 1xf3 s TRP 36 Ca 0.48 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.48 1xf3 s TRP 36 Cb -0.10 -0.46 -0.01 0.00 -1.15 0.00 0.00 33.47 31.75 1xf3 s TRP 36 CO 0.40 -0.01 -0.09 0.08 0.02 0.00 0.00 176.95 177.35 1xf3 s VAL 37 N -0.24 0.70 -0.10 4.03 1.01 -0.09 -0.92 120.40 124.79 1xf3 s VAL 37 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1xf3 s VAL 37 Cb -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1xf3 s VAL 37 CO -0.00 0.20 -0.08 -0.75 0.00 0.00 0.00 175.10 174.47 1xf3 s LYS 38 N -0.15 3.10 -0.16 2.72 2.20 0.85 -0.83 119.74 127.47 1xf3 s LYS 38 Ca 0.02 -0.59 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1xf3 s LYS 38 Cb -0.04 -2.66 0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1xf3 s LYS 38 CO -0.00 0.45 0.05 -1.14 -0.36 0.00 0.00 175.35 174.35 1xf3 s GLN 39 N -0.24 0.39 0.63 4.03 0.74 0.23 -1.19 119.66 124.26 1xf3 s GLN 39 Ca 0.03 -0.17 -0.16 0.00 0.05 0.00 0.00 55.36 55.10 1xf3 s GLN 39 Cb -0.13 -1.74 -0.01 0.00 1.10 0.00 0.00 33.01 32.23 1xf3 s GLN 39 CO 0.03 -0.58 1.12 0.15 -0.55 0.00 0.00 175.29 175.46 1xf3 s LYS 40 N 1.99 2.90 0.28 1.67 1.02 -1.26 -0.80 119.74 125.55 1xf3 s LYS 40 Ca 0.01 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 1xf3 s LYS 40 Cb -0.16 -1.96 -0.12 0.00 -0.52 0.00 0.00 37.83 35.07 1xf3 s LYS 40 CO -0.08 -1.18 1.48 -2.30 -0.92 0.00 0.00 175.35 172.35 1xf3 n PRO 41 N -2.13 2.37 -1.63 -1.68 -0.02 -1.26 -2.20 135.00 128.46 1xf3 n PRO 41 Ca 0.11 0.84 -0.16 0.00 -2.02 0.00 0.00 63.50 62.27 1xf3 n PRO 41 Cb 0.52 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 1xf3 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf3 n GLY 42 N 1.87 1.31 3.42 -1.23 0.00 -1.26 -4.96 105.19 104.33 1xf3 n GLY 42 Ca 0.09 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1xf3 n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xf3 s GLN 43 N -3.65 1.88 1.05 1.61 -0.21 -0.93 -5.17 119.66 114.24 1xf3 s GLN 43 Ca 0.00 -2.13 -0.16 0.00 0.02 0.00 0.00 55.36 53.08 1xf3 s GLN 43 Cb 0.00 -0.16 0.22 0.00 1.00 0.00 0.00 33.01 34.07 1xf3 s GLN 43 CO 0.00 -0.58 1.19 0.20 -2.12 0.00 0.00 175.29 173.97 1xf3 s GLY 44 N -3.51 1.65 0.29 3.09 0.00 -1.26 -4.69 107.32 102.89 1xf3 s GLY 44 Ca 0.31 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 1xf3 s GLY 44 CO 0.21 -0.16 0.57 1.08 0.00 0.00 0.00 173.10 174.80 1xf3 s LEU 45 N -6.37 4.05 -0.14 0.66 1.43 -1.26 -4.22 118.68 112.82 1xf3 s LEU 45 Ca 0.70 0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 54.52 1xf3 s LEU 45 Cb -0.09 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.62 1xf3 s LEU 45 CO 0.54 -0.20 0.28 -0.70 0.23 0.00 0.00 176.35 176.50 1xf3 s GLU 46 N -3.52 0.17 0.03 1.70 2.12 -0.33 -4.97 118.70 113.89 1xf3 s GLU 46 Ca 0.45 0.75 -0.30 0.00 0.36 0.00 0.00 54.97 56.22 1xf3 s GLU 46 Cb -0.11 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.17 1xf3 s GLU 46 CO 0.29 -0.31 1.15 -0.46 -0.54 0.00 0.00 175.26 175.40 1xf3 s TRP 47 N 2.44 3.44 -0.22 5.30 -0.00 -1.26 -0.11 118.94 128.53 1xf3 s TRP 47 Ca 0.02 1.37 -0.15 0.00 -0.00 0.00 0.00 56.10 57.33 1xf3 s TRP 47 Cb -0.12 -3.36 -0.18 0.00 -0.00 0.00 0.00 33.47 29.81 1xf3 s TRP 47 CO -0.09 -1.02 0.05 -0.89 -0.00 0.00 0.00 176.95 174.99 1xf3 n ILE 48 N 4.05 1.57 0.00 5.86 5.41 -0.10 -4.63 119.36 131.52 1xf3 n ILE 48 Ca 0.09 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1xf3 n ILE 48 Cb 0.47 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 1xf3 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xf3 n GLY 49 N 1.54 -0.82 3.04 7.39 0.00 -1.23 -0.91 105.19 114.21 1xf3 n GLY 49 Ca -0.39 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1xf3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf3 s TYR 50 N -2.00 0.50 0.09 1.61 -0.85 -0.57 -1.63 117.35 114.50 1xf3 s TYR 50 Ca 0.00 -0.62 0.07 0.00 -0.52 0.00 0.00 57.07 56.00 1xf3 s TYR 50 Cb 0.00 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 1xf3 s TYR 50 CO 0.00 -0.17 -0.12 -1.50 -1.52 0.00 0.00 175.55 172.24 1xf3 s ILE 51 N -1.91 3.26 -0.41 -3.49 2.07 -0.64 -2.10 121.20 117.97 1xf3 s ILE 51 Ca -0.09 -1.23 -0.09 0.00 -1.41 0.00 0.00 60.65 57.83 1xf3 s ILE 51 Cb -0.07 -2.49 0.08 0.00 0.13 0.00 0.00 42.46 40.11 1xf3 s ILE 51 CO -0.02 0.17 0.25 0.21 -1.91 0.00 0.00 174.94 173.65 1xf3 s ASN 52 N -2.00 5.62 0.28 4.50 3.84 0.11 -1.10 114.94 126.19 1xf3 s ASN 52 Ca 0.20 -1.48 0.03 0.00 0.21 0.00 0.00 52.86 51.81 1xf3 s ASN 52 Cb -0.11 -1.98 0.67 0.00 -0.55 0.00 0.00 41.25 39.28 1xf3 s ASN 52 CO 0.11 -0.52 1.72 -0.65 -2.79 0.00 0.00 177.10 174.97 1xf3 h PRO 52 N 8.39 0.47 -0.82 0.43 0.11 -1.85 0.64 132.00 139.37 1xf3 h PRO 52 Ca -0.23 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.02 1xf3 h PRO 52 Cb 1.08 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.98 1xf3 h PRO 52 CO 0.75 0.31 0.34 0.10 -0.21 0.00 0.00 178.00 179.28 1xf3 h TYR 53 N 0.48 0.57 0.00 0.65 -0.00 -1.85 -2.97 116.97 113.85 1xf3 h TYR 53 Ca 0.53 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 59.30 1xf3 h TYR 53 Cb 0.94 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.54 1xf3 h TYR 53 CO -0.12 0.03 0.00 0.27 -0.00 0.00 0.00 178.16 178.35 1xf3 n ASN 54 N -5.01 1.11 -0.38 0.10 0.23 -1.13 -4.99 115.26 105.19 1xf3 n ASN 54 Ca 0.17 -1.21 -0.05 0.00 -0.53 0.00 0.00 54.58 52.96 1xf3 n ASN 54 Cb 0.50 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.18 1xf3 n ASN 54 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1xf3 n ASP 55 N -0.10 -5.36 -4.74 0.53 5.68 0.22 -4.96 116.55 107.80 1xf3 n ASP 55 Ca 0.00 0.12 -0.41 0.00 -0.50 0.00 0.00 54.79 54.00 1xf3 n ASP 55 Cb 0.08 -3.30 -0.03 0.00 -1.14 0.00 0.00 41.12 36.74 1xf3 n ASP 55 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1xf3 s GLY 56 N -2.23 2.57 0.13 6.12 0.00 -0.85 -4.62 107.32 108.44 1xf3 s GLY 56 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 44.72 45.95 1xf3 s GLY 56 CO 0.00 2.02 -0.19 -0.51 0.00 0.00 0.00 173.10 174.42 1xf3 s THR 57 N -0.17 2.74 -0.01 0.90 -4.23 -1.26 0.05 115.64 113.67 1xf3 s THR 57 Ca 0.55 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1xf3 s THR 57 Cb -0.37 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1xf3 s THR 57 CO 0.41 0.06 -0.01 -0.54 -0.54 0.00 0.00 174.62 174.00 1xf3 s LYS 58 N -2.24 0.15 0.01 3.99 3.01 -0.89 -5.02 119.74 118.75 1xf3 s LYS 58 Ca 0.18 -0.02 0.07 0.00 -1.01 0.00 0.00 55.97 55.19 1xf3 s LYS 58 Cb -0.10 -0.21 -0.02 0.00 -1.01 0.00 0.00 37.83 36.49 1xf3 s LYS 58 CO 0.10 -0.01 -0.21 0.71 0.51 0.00 0.00 175.35 176.45 1xf3 s TYR 59 N 0.23 1.87 0.08 3.18 2.02 -1.26 -1.51 117.35 121.96 1xf3 s TYR 59 Ca -0.02 -0.36 -0.34 0.00 -0.37 0.00 0.00 57.07 55.98 1xf3 s TYR 59 Cb -0.04 -1.17 -0.13 0.00 -0.40 0.00 0.00 41.96 40.22 1xf3 s TYR 59 CO -0.01 0.02 1.70 -1.71 -1.57 0.00 0.00 175.55 173.99 1xf3 n ASN 60 N 2.27 3.33 -0.15 2.29 2.85 -0.09 -4.86 115.26 120.91 1xf3 n ASN 60 Ca -0.16 1.04 0.12 0.00 -0.11 0.00 0.00 54.58 55.47 1xf3 n ASN 60 Cb 0.53 -1.43 0.46 0.00 1.24 0.00 0.00 39.78 40.59 1xf3 n ASN 60 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1xf3 h GLU 61 N 7.25 0.49 0.00 1.20 -0.00 -1.95 0.17 114.58 121.74 1xf3 h GLU 61 Ca -0.46 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1xf3 h GLU 61 Cb 1.25 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.89 1xf3 h GLU 61 CO 0.91 0.32 -0.01 -0.22 -0.00 0.00 0.00 179.01 180.01 1xf3 h LYS 62 N 0.50 0.00 -0.01 1.06 3.64 -1.95 -2.89 116.57 116.92 1xf3 h LYS 62 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1xf3 h LYS 62 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1xf3 h LYS 62 CO -0.11 0.01 -0.23 1.19 -2.27 0.00 0.00 179.45 178.05 1xf3 n PHE 63 N -3.46 0.00 -1.66 1.91 3.72 0.53 -4.89 117.46 113.61 1xf3 n PHE 63 Ca -0.03 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.91 1xf3 n PHE 63 Cb 0.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1xf3 n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1xf3 n LYS 64 N -0.21 1.96 0.00 -1.08 4.81 -0.91 -1.44 118.16 121.28 1xf3 n LYS 64 Ca 0.05 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1xf3 n LYS 64 Cb 0.23 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1xf3 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xf3 n GLY 65 N 2.92 1.96 0.18 3.14 0.00 -1.26 -4.69 105.19 107.45 1xf3 n GLY 65 Ca 0.16 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1xf3 n GLY 65 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xf3 h LYS 66 N 0.00 0.61 -6.07 1.61 3.64 -1.69 -3.45 116.57 111.23 1xf3 h LYS 66 Ca 0.00 -0.67 -0.68 0.00 -1.27 0.00 0.00 60.65 58.03 1xf3 h LYS 66 Cb 0.00 0.19 -0.21 0.00 -0.41 0.00 0.00 32.23 31.80 1xf3 h LYS 66 CO 0.00 1.27 -0.72 0.00 -2.27 0.00 0.00 179.45 177.73 1xf3 s ALA 67 N -3.28 2.86 -0.10 5.00 0.00 -0.52 -4.19 121.76 121.53 1xf3 s ALA 67 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1xf3 s ALA 67 Cb 0.07 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1xf3 s ALA 67 CO 0.91 0.52 -0.08 0.99 0.00 0.00 0.00 175.76 178.10 1xf3 s THR 68 N -0.61 0.98 -0.14 0.00 2.01 0.13 -4.79 115.64 113.22 1xf3 s THR 68 Ca 0.09 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.70 1xf3 s THR 68 Cb -0.11 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1xf3 s THR 68 CO 0.02 0.35 0.19 -0.76 -0.69 0.00 0.00 174.62 173.73 1xf3 s LEU 69 N 1.51 4.31 0.35 4.42 1.43 -1.26 -1.04 118.68 128.41 1xf3 s LEU 69 Ca 0.01 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1xf3 s LEU 69 Cb -0.13 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1xf3 s LEU 69 CO -0.06 0.27 0.13 0.42 0.23 0.00 0.00 176.35 177.34 1xf3 s THR 70 N -0.28 0.59 -0.30 5.49 -4.23 -0.88 -5.03 115.64 111.00 1xf3 s THR 70 Ca 0.14 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1xf3 s THR 70 Cb -0.12 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.38 1xf3 s THR 70 CO 0.03 0.00 0.64 -0.55 -0.54 0.00 0.00 174.62 174.20 1xf3 s SER 71 N -3.50 -1.22 -0.75 3.99 0.15 -1.26 -1.44 113.70 109.67 1xf3 s SER 71 Ca 0.31 1.27 -0.21 0.00 0.70 0.00 0.00 55.95 58.01 1xf3 s SER 71 Cb 0.04 2.23 0.09 0.00 -1.71 0.00 0.00 66.02 66.67 1xf3 s SER 71 CO 0.16 -0.23 1.01 -0.62 1.20 0.00 0.00 173.24 174.76 1xf3 s ASP 72 N 2.87 6.31 0.55 5.45 2.15 -0.05 -4.94 116.67 129.03 1xf3 s ASP 72 Ca 0.05 -1.33 0.25 0.00 0.43 0.00 0.00 52.55 51.94 1xf3 s ASP 72 Cb -0.13 -2.41 1.49 0.00 -0.30 0.00 0.00 42.92 41.57 1xf3 s ASP 72 CO -0.20 -1.32 2.09 0.50 -0.17 0.00 0.00 175.17 176.07 1xf3 h LYS 73 N 9.35 0.00 -0.40 4.34 3.11 -1.93 -1.88 116.57 129.15 1xf3 h LYS 73 Ca -0.14 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.67 1xf3 h LYS 73 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.27 1xf3 h LYS 73 CO 1.17 0.00 0.15 0.66 -2.81 0.00 0.00 179.45 178.61 1xf3 h SER 74 N 0.00 0.56 -0.58 4.20 4.64 -1.95 -3.09 113.55 117.33 1xf3 h SER 74 Ca 0.11 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1xf3 h SER 74 Cb 0.51 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xf3 h SER 74 CO -0.00 0.59 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1xf3 n SER 75 N -4.63 3.78 -1.94 4.97 3.41 -0.73 -4.94 113.62 113.54 1xf3 n SER 75 Ca -0.00 -2.23 -0.18 0.00 -0.26 0.00 0.00 58.87 56.20 1xf3 n SER 75 Cb 0.15 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1xf3 n SER 75 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xf3 n SER 76 N 1.08 -5.07 -4.09 4.04 2.88 -1.05 -4.86 113.62 106.56 1xf3 n SER 76 Ca 0.21 0.27 -0.28 0.00 -1.33 0.00 0.00 58.87 57.74 1xf3 n SER 76 Cb 0.67 -4.39 -0.17 0.00 -0.75 0.00 0.00 64.21 59.57 1xf3 n SER 76 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1xf3 s THR 77 N -2.72 1.52 -0.02 2.46 2.01 -1.20 -0.66 115.64 117.02 1xf3 s THR 77 Ca 0.00 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1xf3 s THR 77 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1xf3 s THR 77 CO 0.00 0.44 0.21 0.00 -0.69 0.00 0.00 174.62 174.59 1xf3 s ALA 78 N 0.67 3.89 0.17 7.40 0.00 -0.51 -0.87 121.76 132.50 1xf3 s ALA 78 Ca -0.13 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.28 1xf3 s ALA 78 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1xf3 s ALA 78 CO 0.04 0.68 -0.22 0.71 0.00 0.00 0.00 175.76 176.96 1xf3 s TYR 79 N -1.25 2.38 -0.15 0.00 2.02 -0.52 -0.43 117.35 119.40 1xf3 s TYR 79 Ca 0.25 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1xf3 s TYR 79 Cb -0.13 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1xf3 s TYR 79 CO 0.15 0.45 -0.13 1.41 -1.57 0.00 0.00 175.55 175.85 1xf3 s MET 80 N -2.47 2.16 -0.16 -0.62 -2.45 -0.83 -2.06 119.30 112.87 1xf3 s MET 80 Ca 0.19 -0.52 -0.13 0.00 -1.25 0.00 0.00 55.69 53.98 1xf3 s MET 80 Cb -0.09 -2.04 -0.05 0.00 1.25 0.00 0.00 34.83 33.91 1xf3 s MET 80 CO 0.10 -0.25 0.27 -2.00 1.05 0.00 0.00 175.02 174.18 1xf3 s GLU 81 N 1.52 4.20 0.53 4.11 2.12 -0.20 -1.96 118.70 129.02 1xf3 s GLU 81 Ca 0.05 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.49 1xf3 s GLU 81 Cb -0.13 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.89 1xf3 s GLU 81 CO -0.10 0.28 0.42 -0.51 -0.54 0.00 0.00 175.26 174.81 1xf3 s LEU 82 N 0.34 2.79 0.00 2.70 1.43 -0.31 -0.70 118.68 124.94 1xf3 s LEU 82 Ca 0.15 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1xf3 s LEU 82 Cb -0.13 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1xf3 s LEU 82 CO 0.03 -1.07 0.00 -1.54 0.23 0.00 0.00 176.35 174.00 1xf3 n SER 82 N -1.77 0.00 -4.77 2.29 3.41 -1.15 -2.15 113.62 109.48 1xf3 n SER 82 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1xf3 n SER 82 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 1xf3 n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xf3 s LEU 82 N -0.87 4.22 0.36 1.04 1.43 -0.90 -4.62 118.68 119.35 1xf3 s LEU 82 Ca 0.00 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 55.32 1xf3 s LEU 82 Cb 0.00 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 1xf3 s LEU 82 CO 0.00 -0.51 0.13 0.42 0.23 0.00 0.00 176.35 176.62 1xf3 s THR 83 N -1.49 0.60 0.35 5.49 -4.23 -1.26 -1.41 115.64 113.69 1xf3 s THR 83 Ca 0.55 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.18 1xf3 s THR 83 Cb -0.27 -2.47 0.34 0.00 1.34 0.00 0.00 72.50 71.44 1xf3 s THR 83 CO 0.34 0.00 1.78 0.28 -0.54 0.00 0.00 174.62 176.47 1xf3 h SER 84 N 1.97 0.62 0.01 3.99 0.02 -1.97 -0.55 113.55 117.65 1xf3 h SER 84 Ca -0.35 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1xf3 h SER 84 Cb 1.26 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1xf3 h SER 84 CO 0.57 0.18 -0.00 -0.33 -1.14 0.00 0.00 176.83 176.11 1xf3 h GLU 85 N 0.58 0.00 -0.00 3.45 5.08 -1.97 -2.33 114.58 119.39 1xf3 h GLU 85 Ca 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1xf3 h GLU 85 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1xf3 h GLU 85 CO -0.34 0.00 -0.23 -0.25 -1.00 0.00 0.00 179.01 177.19 1xf3 n ASP 86 N -3.68 0.45 -4.62 1.42 10.43 -0.21 -4.79 116.55 115.55 1xf3 n ASP 86 Ca -0.03 -0.28 -0.43 0.00 2.57 0.00 0.00 54.79 56.62 1xf3 n ASP 86 Cb 0.08 -0.03 -0.03 0.00 1.84 0.00 0.00 41.12 42.98 1xf3 n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xf3 s SER 87 N -2.76 5.96 0.15 -2.24 0.01 -0.88 -4.87 113.70 109.08 1xf3 s SER 87 Ca 0.19 1.86 -0.25 0.00 1.31 0.00 0.00 55.95 59.07 1xf3 s SER 87 Cb 0.19 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.97 1xf3 s SER 87 CO 0.56 -1.56 1.01 0.00 0.41 0.00 0.00 173.24 173.66 1xf3 s ALA 88 N 6.53 -1.68 0.02 1.44 0.00 -0.60 -4.72 121.76 122.75 1xf3 s ALA 88 Ca 0.87 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1xf3 s ALA 88 Cb -0.31 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 1xf3 s ALA 88 CO 0.35 -1.05 0.56 0.08 0.00 0.00 0.00 175.76 175.70 1xf3 s VAL 89 N -2.88 4.87 -0.07 0.00 1.01 0.02 -0.62 120.40 122.73 1xf3 s VAL 89 Ca 0.15 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.36 1xf3 s VAL 89 Cb -0.01 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1xf3 s VAL 89 CO 0.03 0.48 -0.22 -0.31 0.00 0.00 0.00 175.10 175.07 1xf3 s TYR 90 N -0.54 2.29 -0.02 5.22 2.02 -0.46 -0.60 117.35 125.25 1xf3 s TYR 90 Ca 0.29 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 56.22 1xf3 s TYR 90 Cb -0.18 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1xf3 s TYR 90 CO 0.17 -0.30 -0.09 0.71 -1.57 0.00 0.00 175.55 174.47 1xf3 s TYR 91 N 0.15 2.83 0.04 2.71 2.02 -0.01 -0.97 117.35 124.12 1xf3 s TYR 91 Ca -0.11 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 1xf3 s TYR 91 Cb -0.15 -1.62 -0.06 0.00 -0.40 0.00 0.00 41.96 39.73 1xf3 s TYR 91 CO 0.06 0.32 0.39 0.00 -1.57 0.00 0.00 175.55 174.74 1xf3 s VAL 93 N -1.26 0.02 0.17 0.00 1.01 -0.07 -2.37 120.40 117.89 1xf3 s VAL 93 Ca 0.29 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 1xf3 s VAL 93 Cb -0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 1xf3 s VAL 93 CO 0.16 0.14 1.35 -0.60 0.00 0.00 0.00 175.10 176.15 1xf3 s ARG 94 N 1.47 4.35 0.61 2.72 3.52 -0.75 -0.31 118.95 130.56 1xf3 s ARG 94 Ca -0.04 2.08 -0.09 0.00 -0.13 0.00 0.00 55.73 57.55 1xf3 s ARG 94 Cb -0.13 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1xf3 s ARG 94 CO -0.03 -0.34 0.99 0.20 -0.81 0.00 0.00 175.30 175.31 1xf3 s GLY 95 N 0.67 1.62 0.93 8.12 0.00 -0.86 -1.49 107.32 116.30 1xf3 s GLY 95 Ca 0.60 -0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 1xf3 s GLY 95 CO 0.35 -0.03 1.21 0.61 0.00 0.00 0.00 173.10 175.24 1xf3 n GLY 96 N -2.71 -1.62 4.00 0.20 0.00 -0.36 -4.58 105.19 100.11 1xf3 n GLY 96 Ca 0.05 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 1xf3 n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xf3 s TYR 97 N -3.59 2.00 0.19 1.61 4.12 -1.26 -4.69 117.35 115.72 1xf3 s TYR 97 Ca 0.69 -0.61 -0.11 0.00 0.02 0.00 0.00 57.07 57.07 1xf3 s TYR 97 Cb -0.02 -2.24 0.25 0.00 -1.52 0.00 0.00 41.96 38.42 1xf3 s TYR 97 CO 0.49 -0.77 1.18 0.54 0.02 0.00 0.00 175.55 177.00 1xf3 n ARG 98 N -2.02 -0.14 -0.12 -0.62 1.74 -1.26 -1.55 116.66 112.70 1xf3 n ARG 98 Ca 0.11 1.17 0.11 0.00 -0.77 0.00 0.00 57.85 58.47 1xf3 n ARG 98 Cb 0.61 -1.74 0.21 0.00 -1.02 0.00 0.00 32.46 30.52 1xf3 n ARG 98 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xf3 n PRO 99 N -5.16 -0.02 0.00 5.56 -0.06 -1.26 -5.11 135.00 128.95 1xf3 n PRO 99 Ca 0.09 0.47 0.00 0.00 -0.06 0.00 0.00 63.50 64.01 1xf3 n PRO 99 Cb 0.33 -0.86 0.00 0.00 -0.06 0.00 0.00 33.50 32.91 1xf3 n PRO 99 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 175.50 176.42 1xf3 n TYR 100 N -3.72 0.00 -0.02 0.54 9.36 -0.59 -5.26 117.16 117.46 1xf3 n TYR 100 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1xf3 n TYR 100 Cb 0.46 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 1xf3 n TYR 100 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xf3 n ALA 100 N -3.00 -1.81 -2.08 2.98 0.00 -1.26 -4.12 120.51 111.23 1xf3 n ALA 100 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1xf3 n ALA 100 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1xf3 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1xf3 s MET 100 N -4.29 4.45 0.08 0.00 1.00 -1.26 -1.23 119.30 118.06 1xf3 s MET 100 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 55.69 57.61 1xf3 s MET 100 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 34.83 31.59 1xf3 s MET 100 CO 0.00 -0.16 0.00 -0.40 0.00 0.00 0.00 175.02 174.46 1xf3 n ASP 101 N 2.73 0.89 -4.60 3.03 3.85 -0.56 -4.93 116.55 116.96 1xf3 n ASP 101 Ca 0.06 0.12 -0.38 0.00 -0.71 0.00 0.00 54.79 53.87 1xf3 n ASP 101 Cb 0.44 -0.27 -0.10 0.00 -1.35 0.00 0.00 41.12 39.84 1xf3 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1xf3 s TYR 102 N -1.81 3.24 0.22 2.11 2.02 -1.26 -4.97 117.35 116.91 1xf3 s TYR 102 Ca 0.00 0.20 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1xf3 s TYR 102 Cb 0.00 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1xf3 s TYR 102 CO 0.00 -0.14 0.41 -1.58 -1.57 0.00 0.00 175.55 172.67 1xf3 s TRP 103 N 1.72 3.48 0.35 2.71 0.52 -1.26 -1.81 118.94 124.65 1xf3 s TRP 103 Ca 0.09 0.32 -0.03 0.00 0.02 0.00 0.00 56.10 56.50 1xf3 s TRP 103 Cb -0.16 -1.84 0.08 0.00 -1.15 0.00 0.00 33.47 30.40 1xf3 s TRP 103 CO 0.10 0.35 0.48 0.41 0.02 0.00 0.00 176.95 178.31 1xf3 n GLY 104 N -0.84 -0.24 0.18 0.98 0.00 -1.00 -4.65 105.19 99.63 1xf3 n GLY 104 Ca -0.05 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.20 1xf3 n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xf3 h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.47 115.11 111.33 1xf3 h GLN 105 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 1xf3 h GLN 105 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.98 1xf3 h GLN 105 CO 0.14 0.28 0.00 0.41 -0.00 0.00 0.00 178.83 179.66 1xf3 n GLY 106 N 0.95 2.00 2.69 0.06 0.00 -1.26 -5.04 105.19 104.59 1xf3 n GLY 106 Ca 0.02 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 1xf3 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf3 s THR 107 N -2.64 -0.01 0.10 2.61 2.01 -0.15 -4.81 115.64 112.76 1xf3 s THR 107 Ca 0.00 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.07 1xf3 s THR 107 Cb 0.00 -0.25 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 1xf3 s THR 107 CO 0.00 0.18 0.86 -0.55 -0.69 0.00 0.00 174.62 174.41 1xf3 s SER 108 N 2.13 7.38 -0.10 3.53 0.15 -1.26 -1.36 113.70 124.17 1xf3 s SER 108 Ca 0.05 1.64 0.01 0.00 0.70 0.00 0.00 55.95 58.36 1xf3 s SER 108 Cb -0.12 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1xf3 s SER 108 CO -0.04 0.02 -0.13 -0.69 1.20 0.00 0.00 173.24 173.60 1xf3 s VAL 109 N -0.26 1.29 -0.07 4.45 1.01 0.21 -0.38 120.40 126.67 1xf3 s VAL 109 Ca 0.42 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1xf3 s VAL 109 Cb -0.22 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1xf3 s VAL 109 CO 0.27 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.66 1xf3 s THR 110 N 1.03 1.83 -0.24 3.92 2.01 0.44 -1.55 115.64 123.08 1xf3 s THR 110 Ca -0.07 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1xf3 s THR 110 Cb -0.15 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.80 1xf3 s THR 110 CO -0.01 0.51 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 1xf3 s VAL 111 N 0.08 3.32 -0.04 3.82 1.01 -1.26 -1.24 120.40 126.08 1xf3 s VAL 111 Ca -0.08 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1xf3 s VAL 111 Cb -0.14 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.73 1xf3 s VAL 111 CO 0.05 0.33 0.68 -0.55 0.00 0.00 0.00 175.10 175.60 1xf3 s SER 112 N 1.44 -0.66 0.00 3.32 0.15 -0.71 -4.80 113.70 112.45 1xf3 s SER 112 Ca 0.04 0.69 0.23 0.00 0.70 0.00 0.00 55.95 57.61 1xf3 s SER 112 Cb -0.15 0.54 0.73 0.00 -1.71 0.00 0.00 66.02 65.43 1xf3 s SER 112 CO -0.03 -0.63 1.55 -1.54 1.20 0.00 0.00 173.24 173.80 1xf3 n SER 113 N 0.85 1.98 -4.85 5.45 3.41 -1.26 -4.02 113.62 115.17 1xf3 n SER 113 Ca -0.19 -1.72 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 1xf3 n SER 113 Cb 0.57 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1xf3 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf3 s ALA 114 N -1.82 3.34 0.54 7.33 0.00 -1.26 -5.08 121.76 124.82 1xf3 s ALA 114 Ca 0.34 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1xf3 s ALA 114 Cb 0.19 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1xf3 s ALA 114 CO 0.29 0.35 0.75 0.15 0.00 0.00 0.00 175.76 177.30 1xf3 s LYS 115 N -2.95 2.47 -0.10 0.00 1.02 -1.26 -5.03 119.74 113.89 1xf3 s LYS 115 Ca 0.53 -1.05 -0.37 0.00 0.02 0.00 0.00 55.97 55.10 1xf3 s LYS 115 Cb -0.10 -2.56 -0.15 0.00 -0.52 0.00 0.00 37.83 34.50 1xf3 s LYS 115 CO 0.18 -0.71 1.65 2.41 -0.92 0.00 0.00 175.35 177.96 1xf3 n THR 116 N -2.27 0.25 -3.82 2.17 -1.04 -1.26 -4.70 114.28 103.62 1xf3 n THR 116 Ca 0.10 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 1xf3 n THR 116 Cb 0.60 -1.28 -0.16 0.00 -1.82 0.00 0.00 70.33 67.67 1xf3 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xf3 s THR 117 N 2.59 0.02 0.56 12.58 2.01 0.08 -4.96 115.64 128.53 1xf3 s THR 117 Ca 0.92 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.95 1xf3 s THR 117 Cb -0.93 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1xf3 s THR 117 CO 0.55 0.12 1.03 -2.16 -0.69 0.00 0.00 174.62 173.47 1xf3 s PRO 118 N 1.15 3.57 0.39 4.92 0.04 -1.26 -1.44 135.00 142.38 1xf3 s PRO 118 Ca -0.08 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.81 1xf3 s PRO 118 Cb -0.13 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1xf3 s PRO 118 CO -0.03 -0.59 0.98 -1.25 0.04 0.00 0.00 177.00 176.16 1xf3 s PRO 119 N -4.13 4.30 0.03 0.56 0.04 -1.26 -4.43 135.00 130.12 1xf3 s PRO 119 Ca 0.61 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1xf3 s PRO 119 Cb -0.13 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1xf3 s PRO 119 CO 0.36 0.02 0.55 -1.12 0.04 0.00 0.00 177.00 176.84 1xf3 s SER 120 N -1.79 6.99 -0.18 6.66 0.01 -0.20 -4.91 113.70 120.28 1xf3 s SER 120 Ca 0.57 1.17 0.01 0.00 1.31 0.00 0.00 55.95 59.01 1xf3 s SER 120 Cb -0.17 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1xf3 s SER 120 CO 0.21 0.23 -0.18 -0.69 0.41 0.00 0.00 173.24 173.22 1xf3 s VAL 121 N -0.79 1.94 -0.11 3.43 1.01 -1.26 -0.92 120.40 123.70 1xf3 s VAL 121 Ca 0.29 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1xf3 s VAL 121 Cb -0.19 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1xf3 s VAL 121 CO 0.17 0.50 -0.18 -0.31 0.00 0.00 0.00 175.10 175.29 1xf3 s TYR 122 N 1.33 2.70 0.28 5.22 4.12 -0.19 -4.98 117.35 125.83 1xf3 s TYR 122 Ca 0.05 -0.75 -0.28 0.00 0.02 0.00 0.00 57.07 56.10 1xf3 s TYR 122 Cb -0.13 -1.77 -0.09 0.00 -1.52 0.00 0.00 41.96 38.45 1xf3 s TYR 122 CO -0.12 -0.25 1.00 -1.25 0.02 0.00 0.00 175.55 174.94 1xf3 s PRO 123 N 0.24 4.67 -0.50 -1.71 0.04 -1.26 -1.25 135.00 135.23 1xf3 s PRO 123 Ca -0.12 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 1xf3 s PRO 123 Cb -0.16 -3.08 0.13 0.00 0.04 0.00 0.00 34.50 31.43 1xf3 s PRO 123 CO 0.06 0.32 0.31 -0.51 0.04 0.00 0.00 177.00 177.23 1xf3 s LEU 124 N -1.58 5.32 -0.02 -3.56 1.43 0.77 -4.90 118.68 116.15 1xf3 s LEU 124 Ca 0.45 -2.33 -0.02 0.00 -1.03 0.00 0.00 54.13 51.20 1xf3 s LEU 124 Cb -0.26 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1xf3 s LEU 124 CO 0.32 -0.50 0.12 0.00 0.23 0.00 0.00 176.35 176.53 1xf3 s ALA 125 N 0.70 3.73 0.32 4.21 0.00 -1.26 -2.28 121.76 127.17 1xf3 s ALA 125 Ca 0.11 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1xf3 s ALA 125 Cb -0.22 -1.71 -0.11 0.00 0.00 0.00 0.00 23.12 21.08 1xf3 s ALA 125 CO -0.04 0.70 1.50 -1.25 0.00 0.00 0.00 175.76 176.68 1xf3 s PRO 126 N -1.73 4.16 0.00 0.00 0.04 -1.26 -4.91 135.00 131.31 1xf3 s PRO 126 Ca 0.23 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1xf3 s PRO 126 Cb -0.12 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1xf3 s PRO 126 CO 0.14 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1xf3 n GLY 127 N 1.47 1.77 3.49 0.56 0.00 -1.26 -4.55 105.19 106.67 1xf3 n GLY 127 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1xf3 n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xf3 s SER 128 N -1.04 6.32 0.00 1.61 1.04 -1.26 -5.01 113.70 115.35 1xf3 s SER 128 Ca 0.00 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1xf3 s SER 128 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1xf3 s SER 128 CO 0.00 -1.45 0.00 -3.20 0.98 0.00 0.00 173.24 169.57 1xf3 n ASN 133 N 7.97 0.00 0.27 7.02 5.15 -1.26 -5.28 115.26 129.13 1xf3 n ASN 133 Ca 0.09 0.00 0.17 0.00 -0.60 0.00 0.00 54.58 54.24 1xf3 n ASN 133 Cb 0.48 0.00 0.64 0.00 -0.53 0.00 0.00 39.78 40.37 1xf3 n ASN 133 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1xf3 h SER 134 N 0.00 0.00 -3.71 1.20 4.64 -1.99 -3.40 113.55 110.29 1xf3 h SER 134 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1xf3 h SER 134 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1xf3 h SER 134 CO 0.00 0.00 -0.78 -0.04 -0.87 0.00 0.00 176.83 175.15 1xf3 s MET 135 N -3.63 0.84 -0.08 4.77 -1.94 -1.26 -1.72 119.30 116.27 1xf3 s MET 135 Ca 0.02 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 1xf3 s MET 135 Cb 0.09 -0.80 -0.03 0.00 2.01 0.00 0.00 34.83 36.10 1xf3 s MET 135 CO 0.55 0.05 -0.10 0.54 -0.01 0.00 0.00 175.02 176.06 1xf3 s VAL 136 N 0.37 3.42 -0.16 -6.03 0.11 -0.28 -4.80 120.40 113.03 1xf3 s VAL 136 Ca -0.05 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.36 1xf3 s VAL 136 Cb -0.10 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1xf3 s VAL 136 CO 0.00 0.58 0.06 -0.89 -3.33 0.00 0.00 175.10 171.52 1xf3 s THR 137 N -0.52 4.81 0.52 5.04 2.01 -1.26 -1.73 115.64 124.50 1xf3 s THR 137 Ca 0.07 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1xf3 s THR 137 Cb -0.12 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1xf3 s THR 137 CO 0.02 0.49 0.00 -0.76 -0.69 0.00 0.00 174.62 173.69 1xf3 s LEU 138 N 0.08 2.27 0.00 4.42 1.43 -0.16 -4.61 118.68 122.11 1xf3 s LEU 138 Ca 0.05 -1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 51.20 1xf3 s LEU 138 Cb -0.12 -0.73 0.11 0.00 0.03 0.00 0.00 46.19 45.48 1xf3 s LEU 138 CO 0.01 -0.87 1.26 -0.83 0.23 0.00 0.00 176.35 176.14 1xf3 s GLY 139 N -3.89 -0.30 -0.03 -3.19 0.00 -0.97 -1.34 107.32 97.60 1xf3 s GLY 139 Ca 0.04 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1xf3 s GLY 139 CO 0.02 1.65 -0.11 0.00 0.00 0.00 0.00 173.10 174.66 1xf3 s LEU 141 N 0.19 4.03 -0.34 0.00 2.96 -0.38 -1.70 118.68 123.44 1xf3 s LEU 141 Ca -0.04 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1xf3 s LEU 141 Cb -0.09 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.56 1xf3 s LEU 141 CO 0.01 -0.12 0.14 -0.69 -1.32 0.00 0.00 176.35 174.37 1xf3 s VAL 142 N 1.69 4.16 0.05 1.68 1.01 -0.29 -1.02 120.40 127.67 1xf3 s VAL 142 Ca 0.06 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1xf3 s VAL 142 Cb -0.16 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1xf3 s VAL 142 CO 0.08 -0.14 -0.19 -0.75 0.00 0.00 0.00 175.10 174.11 1xf3 s LYS 143 N 1.49 1.22 -0.79 2.72 2.20 -0.10 -0.96 119.74 125.52 1xf3 s LYS 143 Ca 0.01 -0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 1xf3 s LYS 143 Cb -0.19 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 1xf3 s LYS 143 CO 0.04 0.33 0.34 0.41 -0.36 0.00 0.00 175.35 176.11 1xf3 n GLY 144 N 1.82 0.08 3.86 5.54 0.00 0.09 -1.03 105.19 115.55 1xf3 n GLY 144 Ca -0.18 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 1xf3 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf3 s TYR 145 N -2.88 2.96 -0.28 1.61 1.13 -1.09 -4.66 117.35 114.13 1xf3 s TYR 145 Ca 0.17 -0.26 -0.23 0.00 -1.41 0.00 0.00 57.07 55.33 1xf3 s TYR 145 Cb -0.07 -1.75 0.09 0.00 -1.10 0.00 0.00 41.96 39.13 1xf3 s TYR 145 CO 0.21 0.22 0.82 0.12 -2.51 0.00 0.00 175.55 174.41 1xf3 s PHE 146 N -2.26 -0.73 0.34 -3.49 5.36 -0.52 -0.86 117.98 115.83 1xf3 s PHE 146 Ca 0.40 1.69 -0.01 0.00 -0.96 0.00 0.00 56.93 58.05 1xf3 s PHE 146 Cb -0.06 0.36 0.07 0.00 -0.34 0.00 0.00 43.02 43.04 1xf3 s PHE 146 CO 0.27 -0.35 0.47 -0.35 -1.46 0.00 0.00 175.22 173.79 1xf3 n PRO 147 N 2.86 0.23 -1.20 10.12 -0.04 -1.26 -0.74 135.00 144.97 1xf3 n PRO 147 Ca -0.15 -1.22 -0.32 0.00 -0.04 0.00 0.00 63.50 61.76 1xf3 n PRO 147 Cb 0.56 -0.33 0.11 0.00 -0.04 0.00 0.00 33.50 33.81 1xf3 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf3 s GLU 148 N -3.67 1.88 0.36 0.54 0.41 -1.26 -4.68 118.70 112.28 1xf3 s GLU 148 Ca 0.31 1.54 0.07 0.00 -0.41 0.00 0.00 54.97 56.48 1xf3 s GLU 148 Cb -0.02 -1.82 -0.01 0.00 -1.78 0.00 0.00 34.13 30.50 1xf3 s GLU 148 CO 0.20 -1.99 0.43 -1.25 -0.49 0.00 0.00 175.26 172.16 1xf3 s PRO 149 N -4.35 2.87 0.16 0.39 0.04 -1.26 -4.97 135.00 127.87 1xf3 s PRO 149 Ca 0.69 -1.21 0.08 0.00 0.04 0.00 0.00 61.00 60.60 1xf3 s PRO 149 Cb -0.24 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1xf3 s PRO 149 CO 0.51 -0.03 -0.10 0.14 0.04 0.00 0.00 177.00 177.55 1xf3 s VAL 150 N -2.29 3.21 0.00 -0.36 -7.23 -1.26 -4.40 120.40 108.07 1xf3 s VAL 150 Ca 0.46 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 1xf3 s VAL 150 Cb -0.08 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1xf3 s VAL 150 CO 0.30 -0.05 -0.14 0.42 -0.31 0.00 0.00 175.10 175.32 1xf3 s THR 151 N -1.56 3.09 -0.06 5.32 -4.23 -0.43 -4.96 115.64 112.81 1xf3 s THR 151 Ca 0.24 -0.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1xf3 s THR 151 Cb -0.09 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1xf3 s THR 151 CO 0.15 0.43 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.79 1xf3 s VAL 152 N -0.89 1.44 0.32 2.29 1.01 -1.26 -0.91 120.40 122.41 1xf3 s VAL 152 Ca 0.14 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1xf3 s VAL 152 Cb -0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1xf3 s VAL 152 CO 0.04 0.42 0.10 0.42 0.00 0.00 0.00 175.10 176.08 1xf3 s THR 153 N 0.28 0.76 -0.06 3.92 -4.23 -0.22 -4.98 115.64 111.12 1xf3 s THR 153 Ca -0.10 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1xf3 s THR 153 Cb -0.14 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1xf3 s THR 153 CO 0.04 0.00 -0.13 0.26 -0.54 0.00 0.00 174.62 174.24 1xf3 s TRP 154 N -3.47 1.49 -1.52 3.99 0.52 -1.26 -0.09 118.94 118.60 1xf3 s TRP 154 Ca 0.35 -0.50 -0.07 0.00 0.02 0.00 0.00 56.10 55.90 1xf3 s TRP 154 Cb 0.07 -1.06 0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1xf3 s TRP 154 CO 0.15 -0.23 0.52 0.09 0.02 0.00 0.00 176.95 177.50 1xf3 n ASN 155 N 3.56 -1.32 -2.59 2.95 3.02 -0.11 -1.95 115.26 118.82 1xf3 n ASN 155 Ca -0.21 -1.02 -0.21 0.00 -0.03 0.00 0.00 54.58 53.10 1xf3 n ASN 155 Cb 0.52 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 1xf3 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xf3 n SER 156 N -2.87 -6.03 0.00 6.41 7.64 -1.26 -2.26 113.62 115.24 1xf3 n SER 156 Ca -0.18 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1xf3 n SER 156 Cb 0.62 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.85 1xf3 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf3 n GLY 157 N -1.18 3.18 0.00 0.23 0.00 -0.82 -4.93 105.19 101.66 1xf3 n GLY 157 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1xf3 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xf3 n SER 158 N 0.02 0.00 -4.12 1.61 3.41 -0.96 -3.88 113.62 109.69 1xf3 n SER 158 Ca 0.00 0.28 -0.37 0.00 -0.26 0.00 0.00 58.87 58.52 1xf3 n SER 158 Cb 0.00 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.45 1xf3 n SER 158 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xf3 s LEU 159 N -2.79 5.29 -0.01 1.04 0.20 -1.03 -4.91 118.68 116.47 1xf3 s LEU 159 Ca 0.12 -2.28 0.01 0.00 0.69 0.00 0.00 54.13 52.67 1xf3 s LEU 159 Cb 0.11 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 1xf3 s LEU 159 CO 0.28 -0.50 0.01 -1.54 -0.29 0.00 0.00 176.35 174.31 1xf3 n SER 160 N 4.28 4.72 -4.77 3.68 3.41 -1.25 -4.22 113.62 119.47 1xf3 n SER 160 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.22 1xf3 n SER 160 Cb 0.40 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 1xf3 n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xf3 s SER 161 N -2.65 6.95 -0.54 4.04 0.01 -1.26 -3.65 113.70 116.60 1xf3 s SER 161 Ca -0.00 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1xf3 s SER 161 Cb 0.01 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1xf3 s SER 161 CO 0.05 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1xf3 n GLY 162 N 0.91 0.77 3.68 3.44 0.00 -1.26 -4.69 105.19 108.04 1xf3 n GLY 162 Ca 0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1xf3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf3 s VAL 163 N -2.15 4.96 -0.20 1.61 1.01 -1.24 -2.22 120.40 122.17 1xf3 s VAL 163 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1xf3 s VAL 163 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1xf3 s VAL 163 CO 0.00 0.48 -0.03 -1.00 0.00 0.00 0.00 175.10 174.55 1xf3 s HIS 164 N 0.13 1.82 -0.28 5.22 3.76 -0.73 -5.01 115.29 120.20 1xf3 s HIS 164 Ca 0.06 -1.30 -0.06 0.00 -0.15 0.00 0.00 55.06 53.61 1xf3 s HIS 164 Cb -0.12 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.23 1xf3 s HIS 164 CO 0.00 -0.68 0.06 0.99 -0.85 0.00 0.00 174.74 174.26 1xf3 s THR 165 N 1.59 3.83 0.29 1.30 2.01 -1.26 -1.19 115.64 122.22 1xf3 s THR 165 Ca -0.02 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 1xf3 s THR 165 Cb -0.17 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.29 1xf3 s THR 165 CO -0.07 0.12 0.71 -0.36 -0.69 0.00 0.00 174.62 174.33 1xf3 s PHE 166 N 1.48 3.43 0.37 4.92 0.08 -0.37 -5.01 117.98 122.88 1xf3 s PHE 166 Ca 0.03 1.21 -0.27 0.00 0.12 0.00 0.00 56.93 58.01 1xf3 s PHE 166 Cb -0.17 -2.52 -0.11 0.00 -0.57 0.00 0.00 43.02 39.65 1xf3 s PHE 166 CO 0.01 0.16 1.25 -2.30 -0.10 0.00 0.00 175.22 174.24 1xf3 n PRO 167 N -0.15 1.97 -2.29 0.24 -0.02 -1.26 -4.38 135.00 129.11 1xf3 n PRO 167 Ca 0.02 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 1xf3 n PRO 167 Cb 0.53 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1xf3 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf3 s ALA 168 N -1.14 2.73 -0.05 3.55 0.00 -1.26 -4.80 121.76 120.78 1xf3 s ALA 168 Ca 0.58 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1xf3 s ALA 168 Cb -0.55 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 1xf3 s ALA 168 CO 0.60 -0.71 -0.24 0.08 0.00 0.00 0.00 175.76 175.50 1xf3 s VAL 169 N -1.78 1.96 -0.44 0.00 1.01 -0.51 -4.94 120.40 115.70 1xf3 s VAL 169 Ca 0.72 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1xf3 s VAL 169 Cb -0.23 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1xf3 s VAL 169 CO 0.26 0.55 0.36 -0.22 0.00 0.00 0.00 175.10 176.05 1xf3 s LEU 170 N -0.16 5.37 -0.05 3.92 2.96 -1.26 -1.51 118.68 127.95 1xf3 s LEU 170 Ca -0.03 -1.12 0.04 0.00 -0.22 0.00 0.00 54.13 52.81 1xf3 s LEU 170 Cb -0.13 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1xf3 s LEU 170 CO 0.03 -0.56 -0.18 -1.58 -1.32 0.00 0.00 176.35 172.74 1xf3 s GLN 171 N 1.68 2.00 -1.09 1.98 0.74 -0.43 -4.80 119.66 119.74 1xf3 s GLN 171 Ca 0.05 -0.65 -0.23 0.00 0.05 0.00 0.00 55.36 54.58 1xf3 s GLN 171 Cb -0.22 -1.69 0.02 0.00 1.10 0.00 0.00 33.01 32.23 1xf3 s GLN 171 CO 0.08 0.23 0.69 -1.13 -0.55 0.00 0.00 175.29 174.61 1xf3 n SER 172 N 3.23 -4.68 0.00 6.67 3.41 -1.26 -2.66 113.62 118.33 1xf3 n SER 172 Ca -0.19 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1xf3 n SER 172 Cb 0.53 -2.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 1xf3 n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xf3 n ASP 173 N -2.35 0.00 -4.32 4.04 10.43 -1.26 -4.94 116.55 118.14 1xf3 n ASP 173 Ca -0.15 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 56.99 1xf3 n ASP 173 Cb 0.60 -0.50 -0.11 0.00 1.84 0.00 0.00 41.12 42.94 1xf3 n ASP 173 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1xf3 s LEU 174 N 0.00 2.43 0.19 0.64 1.43 -1.09 -4.57 118.68 117.71 1xf3 s LEU 174 Ca 0.00 -0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 1xf3 s LEU 174 Cb 0.00 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 1xf3 s LEU 174 CO 0.00 -0.04 0.48 -0.31 0.23 0.00 0.00 176.35 176.71 1xf3 s TYR 175 N -2.04 3.45 -0.03 0.29 1.51 -0.03 -1.31 117.35 119.20 1xf3 s TYR 175 Ca 0.15 0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1xf3 s TYR 175 Cb -0.06 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1xf3 s TYR 175 CO 0.06 0.34 0.05 0.99 -1.11 0.00 0.00 175.55 175.88 1xf3 s THR 176 N -1.74 -0.05 0.08 -0.71 2.01 -0.57 -0.73 115.64 113.92 1xf3 s THR 176 Ca 0.45 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.64 1xf3 s THR 176 Cb -0.12 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1xf3 s THR 176 CO 0.22 0.08 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.96 1xf3 s LEU 177 N 0.95 2.48 0.13 4.42 0.20 -0.14 -1.43 118.68 125.29 1xf3 s LEU 177 Ca -0.08 -0.97 -0.01 0.00 0.69 0.00 0.00 54.13 53.77 1xf3 s LEU 177 Cb -0.11 0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.63 1xf3 s LEU 177 CO -0.03 -0.50 0.03 -0.94 -0.29 0.00 0.00 176.35 174.63 1xf3 s SER 178 N -2.89 0.50 -0.12 3.68 1.04 -1.26 -1.14 113.70 113.50 1xf3 s SER 178 Ca 0.08 -1.17 -0.08 0.00 0.48 0.00 0.00 55.95 55.26 1xf3 s SER 178 Cb 0.05 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1xf3 s SER 178 CO -0.06 -0.68 0.29 -0.55 0.98 0.00 0.00 173.24 173.22 1xf3 s SER 179 N -3.05 -0.33 0.24 7.02 0.15 -0.69 -1.24 113.70 115.81 1xf3 s SER 179 Ca 0.22 0.62 0.10 0.00 0.70 0.00 0.00 55.95 57.58 1xf3 s SER 179 Cb 0.07 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1xf3 s SER 179 CO 0.01 -0.15 -0.09 -0.94 1.20 0.00 0.00 173.24 173.27 1xf3 s SER 180 N 0.93 4.19 -0.06 5.45 1.04 -0.34 -0.78 113.70 124.13 1xf3 s SER 180 Ca -0.06 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 1xf3 s SER 180 Cb -0.07 -0.66 0.03 0.00 0.10 0.00 0.00 66.02 65.42 1xf3 s SER 180 CO -0.07 0.05 0.15 0.54 0.98 0.00 0.00 173.24 174.89 1xf3 s VAL 181 N -2.14 -0.03 -0.19 5.02 0.11 -0.45 -1.77 120.40 120.95 1xf3 s VAL 181 Ca 0.29 0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.42 1xf3 s VAL 181 Cb -0.07 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1xf3 s VAL 181 CO 0.17 0.05 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.05 1xf3 s THR 182 N 0.83 3.53 0.15 5.04 2.01 -0.94 -0.99 115.64 125.27 1xf3 s THR 182 Ca -0.06 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1xf3 s THR 182 Cb -0.08 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1xf3 s THR 182 CO -0.04 0.45 -0.11 0.68 -0.69 0.00 0.00 174.62 174.91 1xf3 s VAL 183 N 0.99 1.26 0.34 3.82 -7.23 -0.71 -4.68 120.40 114.19 1xf3 s VAL 183 Ca 0.00 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 1xf3 s VAL 183 Cb -0.15 -1.82 -0.11 0.00 0.56 0.00 0.00 36.38 34.86 1xf3 s VAL 183 CO 0.01 -0.68 1.54 -2.65 -0.31 0.00 0.00 175.10 173.00 1xf3 n PRO 184 N -0.12 2.69 0.30 4.82 -0.02 -1.26 -1.13 135.00 140.27 1xf3 n PRO 184 Ca -0.11 0.95 0.20 0.00 -2.02 0.00 0.00 63.50 62.52 1xf3 n PRO 184 Cb 0.60 -2.70 0.97 0.00 -0.02 0.00 0.00 33.50 32.35 1xf3 n PRO 184 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1xf3 h SER 185 N 3.76 0.00 0.41 2.55 0.02 -1.55 -0.65 113.55 118.08 1xf3 h SER 185 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1xf3 h SER 185 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xf3 h SER 185 CO 0.71 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.86 1xf3 n SER 186 N -2.97 0.00 0.00 3.07 3.41 -1.26 -4.52 113.62 111.35 1xf3 n SER 186 Ca -0.01 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1xf3 n SER 186 Cb 0.15 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1xf3 n SER 186 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xf3 n THR 187 N -1.47 0.00 -2.05 6.66 -2.24 -0.25 -4.90 114.28 110.03 1xf3 n THR 187 Ca 0.03 0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1xf3 n THR 187 Cb 0.14 -0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 67.44 1xf3 n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1xf3 s TRP 188 N -0.17 2.88 -2.05 4.78 -0.00 -1.24 -0.33 118.94 122.80 1xf3 s TRP 188 Ca 0.00 1.38 0.11 0.00 -0.00 0.00 0.00 56.10 57.60 1xf3 s TRP 188 Cb 0.00 -3.72 0.40 0.00 -0.00 0.00 0.00 33.47 30.15 1xf3 s TRP 188 CO 0.00 -2.11 1.30 -0.35 -0.00 0.00 0.00 176.95 175.79 1xf3 n PRO 189 N 0.44 1.59 -0.07 5.86 -0.04 -1.26 -4.80 135.00 136.72 1xf3 n PRO 189 Ca 0.02 -0.91 -0.05 0.00 -0.04 0.00 0.00 63.50 62.52 1xf3 n PRO 189 Cb 0.42 -1.25 0.16 0.00 -0.04 0.00 0.00 33.50 32.79 1xf3 n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xf3 h SER 190 N 1.56 0.68 -2.90 3.54 4.64 -1.03 -3.41 113.55 116.64 1xf3 h SER 190 Ca 0.00 -0.20 -0.63 0.00 -0.47 0.00 0.00 61.79 60.49 1xf3 h SER 190 Cb 0.35 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 1xf3 h SER 190 CO 0.00 0.83 -0.37 -1.61 -0.87 0.00 0.00 176.83 174.81 1xf3 s GLU 191 N -4.76 3.61 0.21 4.77 0.41 -0.60 -5.08 118.70 117.26 1xf3 s GLU 191 Ca -0.09 -0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1xf3 s GLU 191 Cb 0.14 -3.10 -0.08 0.00 -1.78 0.00 0.00 34.13 29.31 1xf3 s GLU 191 CO 0.81 0.66 1.04 0.99 -0.49 0.00 0.00 175.26 178.27 1xf3 s THR 192 N -1.26 3.90 -0.10 3.63 2.01 -1.26 -4.17 115.64 118.39 1xf3 s THR 192 Ca 0.26 1.77 0.01 0.00 0.31 0.00 0.00 61.69 64.03 1xf3 s THR 192 Cb -0.13 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.27 1xf3 s THR 192 CO 0.15 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 1xf3 s VAL 193 N -0.70 1.11 -0.03 3.82 1.01 -1.26 -4.98 120.40 119.37 1xf3 s VAL 193 Ca 0.46 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1xf3 s VAL 193 Cb -0.28 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xf3 s VAL 193 CO 0.35 0.37 -0.07 -0.89 0.00 0.00 0.00 175.10 174.87 1xf3 s THR 194 N 1.34 0.64 0.01 3.92 2.01 -1.26 -0.90 115.64 121.40 1xf3 s THR 194 Ca -0.02 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 1xf3 s THR 194 Cb -0.14 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.72 1xf3 s THR 194 CO -0.04 0.22 0.39 0.00 -0.69 0.00 0.00 174.62 174.49 1xf3 s ASN 196 N -1.27 4.11 -0.20 0.00 -0.87 0.87 -1.81 114.94 115.77 1xf3 s ASN 196 Ca 0.26 -0.76 0.02 0.00 -1.57 0.00 0.00 52.86 50.80 1xf3 s ASN 196 Cb -0.16 -1.64 0.03 0.00 -0.02 0.00 0.00 41.25 39.46 1xf3 s ASN 196 CO 0.14 -0.09 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.72 1xf3 s VAL 197 N 1.34 2.10 -0.04 1.60 1.01 -0.54 -1.05 120.40 124.83 1xf3 s VAL 197 Ca 0.02 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1xf3 s VAL 197 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1xf3 s VAL 197 CO -0.06 0.37 -0.08 0.00 0.00 0.00 0.00 175.10 175.34 1xf3 s ALA 198 N 1.24 2.95 -0.42 5.51 0.00 -0.08 -1.12 121.76 129.83 1xf3 s ALA 198 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1xf3 s ALA 198 Cb -0.15 -1.15 0.15 0.00 0.00 0.00 0.00 23.12 21.97 1xf3 s ALA 198 CO -0.11 0.59 0.29 -1.58 0.00 0.00 0.00 175.76 174.96 1xf3 s HIS 199 N -0.88 1.37 0.44 0.00 2.46 -0.00 -1.31 115.29 117.36 1xf3 s HIS 199 Ca 0.14 -2.22 0.20 0.00 0.47 0.00 0.00 55.06 53.65 1xf3 s HIS 199 Cb -0.11 -1.26 1.16 0.00 -0.13 0.00 0.00 32.58 32.24 1xf3 s HIS 199 CO 0.04 -0.79 1.88 -1.35 -2.47 0.00 0.00 174.74 172.04 1xf3 h PRO 200 N 6.25 0.31 -0.02 2.88 0.11 -1.79 -2.54 132.00 137.20 1xf3 h PRO 200 Ca 0.14 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1xf3 h PRO 200 Cb 0.92 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1xf3 h PRO 200 CO 0.39 0.21 -0.35 0.00 -0.21 0.00 0.00 178.00 178.03 1xf3 h ALA 201 N 1.62 1.37 -0.34 -0.75 0.00 -1.91 -2.65 119.26 116.60 1xf3 h ALA 201 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xf3 h ALA 201 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xf3 h ALA 201 CO -0.13 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1xf3 n SER 202 N -4.11 3.34 -3.61 0.00 3.41 -0.98 -4.98 113.62 106.70 1xf3 n SER 202 Ca -0.02 -1.97 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 1xf3 n SER 202 Cb 0.40 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.21 1xf3 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf3 n SER 203 N 1.40 -5.81 -4.27 4.04 7.64 -1.00 -5.00 113.62 110.62 1xf3 n SER 203 Ca 0.18 -0.57 -0.32 0.00 1.01 0.00 0.00 58.87 59.17 1xf3 n SER 203 Cb 0.58 -4.95 -0.16 0.00 -1.01 0.00 0.00 64.21 58.67 1xf3 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf3 s THR 204 N -3.33 2.13 -0.03 0.44 2.01 -1.05 -5.03 115.64 110.78 1xf3 s THR 204 Ca 0.53 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1xf3 s THR 204 Cb -0.24 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1xf3 s THR 204 CO 0.74 0.57 -0.12 -0.75 -0.69 0.00 0.00 174.62 174.37 1xf3 s LYS 205 N -0.11 1.22 -0.08 4.92 2.20 -1.26 -0.82 119.74 125.80 1xf3 s LYS 205 Ca -0.05 -0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1xf3 s LYS 205 Cb -0.14 -1.11 0.02 0.00 -1.51 0.00 0.00 37.83 35.10 1xf3 s LYS 205 CO 0.04 0.17 -0.04 0.08 -0.36 0.00 0.00 175.35 175.24 1xf3 s VAL 206 N 0.10 0.67 -0.25 4.02 1.01 -0.28 -4.99 120.40 120.69 1xf3 s VAL 206 Ca -0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1xf3 s VAL 206 Cb -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1xf3 s VAL 206 CO 0.01 0.30 0.19 -1.81 0.00 0.00 0.00 175.10 173.79 1xf3 s ASP 207 N 1.61 6.10 -0.30 3.32 -0.00 -1.26 -1.46 116.67 124.69 1xf3 s ASP 207 Ca 0.01 0.10 0.01 0.00 -0.00 0.00 0.00 52.55 52.67 1xf3 s ASP 207 Cb -0.13 -2.12 0.07 0.00 -0.00 0.00 0.00 42.92 40.73 1xf3 s ASP 207 CO -0.05 0.00 -0.03 -0.75 -0.00 0.00 0.00 175.17 174.35 1xf3 s LYS 208 N 1.38 2.19 0.13 8.23 2.47 -0.75 -4.97 119.74 128.41 1xf3 s LYS 208 Ca 0.08 -1.42 -0.30 0.00 -1.56 0.00 0.00 55.97 52.77 1xf3 s LYS 208 Cb -0.15 -3.09 -0.07 0.00 -1.46 0.00 0.00 37.83 33.07 1xf3 s LYS 208 CO 0.07 -0.67 1.15 0.21 0.16 0.00 0.00 175.35 176.27 1xf3 s LYS 209 N 1.13 4.51 -0.30 4.03 2.20 -1.26 -1.73 119.74 128.33 1xf3 s LYS 209 Ca -0.04 1.76 -0.20 0.00 -0.36 0.00 0.00 55.97 57.13 1xf3 s LYS 209 Cb -0.20 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1xf3 s LYS 209 CO -0.04 -0.09 0.64 0.42 -0.36 0.00 0.00 175.35 175.92 1xf3 s ILE 210 N 0.33 4.94 0.06 5.43 -1.09 -0.08 -4.97 121.20 125.81 1xf3 s ILE 210 Ca 0.54 0.92 0.07 0.00 -2.23 0.00 0.00 60.65 59.94 1xf3 s ILE 210 Cb -0.30 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1xf3 s ILE 210 CO 0.33 -0.12 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.09 1xf3 s VAL 211 N 2.61 3.09 0.42 2.92 1.01 -1.26 -4.66 120.40 124.54 1xf3 s VAL 211 Ca 0.26 -1.17 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1xf3 s VAL 211 Cb -0.15 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.77 1xf3 s VAL 211 CO 0.11 0.26 1.18 -2.65 0.00 0.00 0.00 175.10 174.00 1xf3 n PRO 212 N 1.25 1.71 -1.75 2.72 -0.02 -1.26 -4.78 135.00 132.87 1xf3 n PRO 212 Ca -0.15 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 1xf3 n PRO 212 Cb 0.52 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1xf3 n PRO 212 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xf3 n ARG 213 N 0.06 1.79 -2.92 -0.52 0.63 -1.26 -4.98 116.66 109.45 1xf3 n ARG 213 Ca 0.08 0.65 -0.37 0.00 -0.92 0.00 0.00 57.85 57.29 1xf3 n ARG 213 Cb 0.39 -2.59 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 1xf3 n ARG 213 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1xf3 s ASP 214 N -0.84 7.23 0.00 6.15 2.15 -1.26 -5.14 116.67 124.96 1xf3 s ASP 214 Ca 0.70 1.66 0.00 0.00 0.43 0.00 0.00 52.55 55.34 1xf3 s ASP 214 Cb -0.42 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.69 1xf3 s ASP 214 CO 0.50 -0.01 0.00 0.00 -0.17 0.00 0.00 175.17 175.49