#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf4 s VAL 2 N 0.00 2.86 -0.09 1.69 1.01 -1.26 -4.03 120.40 120.58 1xf4 s VAL 2 Ca 0.00 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 1xf4 s VAL 2 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1xf4 s VAL 2 CO 0.00 0.14 0.22 -0.54 0.00 0.00 0.00 175.10 174.92 1xf4 s LYS 3 N -0.71 0.22 -0.12 2.72 1.02 0.07 -4.97 119.74 117.97 1xf4 s LYS 3 Ca 0.55 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.95 1xf4 s LYS 3 Cb -0.39 0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1xf4 s LYS 3 CO 0.44 -0.09 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.08 1xf4 s LEU 4 N 0.60 2.28 -0.23 3.17 1.43 -1.26 -1.56 118.68 123.12 1xf4 s LEU 4 Ca -0.04 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1xf4 s LEU 4 Cb -0.05 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.71 1xf4 s LEU 4 CO -0.03 0.14 -0.09 -0.22 0.23 0.00 0.00 176.35 176.37 1xf4 s LEU 5 N 0.49 2.98 0.16 1.79 2.96 0.46 -4.34 118.68 123.18 1xf4 s LEU 5 Ca -0.13 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 52.97 1xf4 s LEU 5 Cb -0.17 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1xf4 s LEU 5 CO 0.05 -0.10 0.30 -1.61 -1.32 0.00 0.00 176.35 173.67 1xf4 s GLU 6 N 1.31 3.44 0.68 1.98 2.02 -1.26 0.48 118.70 127.35 1xf4 s GLU 6 Ca 0.01 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 1xf4 s GLU 6 Cb -0.16 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 31.11 1xf4 s GLU 6 CO -0.06 0.51 1.06 -1.54 0.02 0.00 0.00 175.26 175.24 1xf4 s SER 7 N -3.34 5.56 0.96 -0.19 1.04 -1.07 -5.00 113.70 111.66 1xf4 s SER 7 Ca 0.34 1.52 -0.11 0.00 0.48 0.00 0.00 55.95 58.18 1xf4 s SER 7 Cb -0.11 -2.43 0.17 0.00 0.10 0.00 0.00 66.02 63.75 1xf4 s SER 7 CO 0.29 -1.31 1.11 -0.83 0.98 0.00 0.00 173.24 173.47 1xf4 s GLY 8 N -3.94 1.65 0.60 7.32 0.00 -1.26 -4.66 107.32 107.04 1xf4 s GLY 8 Ca 0.57 0.35 -0.19 0.00 0.00 0.00 0.00 44.72 45.46 1xf4 s GLY 8 CO 0.55 0.84 1.00 -1.55 0.00 0.00 0.00 173.10 173.93 1xf4 n PRO 9 N -4.31 0.94 -5.02 2.90 -0.04 -1.26 -4.80 135.00 123.42 1xf4 n PRO 9 Ca 0.09 0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 63.61 1xf4 n PRO 9 Cb 0.53 -2.20 -0.15 0.00 -0.04 0.00 0.00 33.50 31.64 1xf4 n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf4 s GLU 10 N -2.79 1.91 -0.28 0.54 0.41 -0.38 -5.01 118.70 113.10 1xf4 s GLU 10 Ca 0.76 -1.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.30 1xf4 s GLU 10 Cb -0.42 -2.01 0.07 0.00 -1.78 0.00 0.00 34.13 29.99 1xf4 s GLU 10 CO 0.47 0.53 -0.08 -1.17 -0.49 0.00 0.00 175.26 174.52 1xf4 s LEU 11 N -1.06 3.70 0.06 1.80 0.20 -1.26 -0.94 118.68 121.17 1xf4 s LEU 11 Ca 0.11 -1.53 0.06 0.00 0.69 0.00 0.00 54.13 53.46 1xf4 s LEU 11 Cb -0.10 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1xf4 s LEU 11 CO 0.01 -0.23 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.06 1xf4 s VAL 12 N 1.07 3.41 0.53 1.68 1.01 -0.62 -5.01 120.40 122.46 1xf4 s VAL 12 Ca -0.05 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1xf4 s VAL 12 Cb -0.20 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1xf4 s VAL 12 CO -0.05 0.24 1.13 -0.54 0.00 0.00 0.00 175.10 175.88 1xf4 s LYS 13 N -1.82 3.44 0.80 2.72 3.01 -1.25 -1.66 119.74 124.99 1xf4 s LYS 13 Ca 0.19 1.64 -0.14 0.00 -1.01 0.00 0.00 55.97 56.65 1xf4 s LYS 13 Cb -0.11 -2.08 0.07 0.00 -1.01 0.00 0.00 37.83 34.69 1xf4 s LYS 13 CO 0.11 -0.78 1.13 -2.30 0.51 0.00 0.00 175.35 174.01 1xf4 n PRO 14 N -1.14 0.22 0.00 -1.68 -0.02 -1.25 -3.16 135.00 127.97 1xf4 n PRO 14 Ca 0.11 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1xf4 n PRO 14 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1xf4 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf4 n GLY 15 N 0.69 2.17 0.00 -1.23 0.00 1.26 -4.84 105.19 103.24 1xf4 n GLY 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1xf4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf4 n ALA 16 N 0.28 0.00 -2.51 4.61 0.00 -1.19 -3.85 120.51 117.84 1xf4 n ALA 16 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1xf4 n ALA 16 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1xf4 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xf4 s SER 17 N -1.00 2.74 -0.15 0.00 1.04 -1.26 -0.61 113.70 114.46 1xf4 s SER 17 Ca 0.00 -1.60 -0.15 0.00 0.48 0.00 0.00 55.95 54.67 1xf4 s SER 17 Cb 0.00 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1xf4 s SER 17 CO 0.00 -0.85 0.43 0.54 0.98 0.00 0.00 173.24 174.34 1xf4 s VAL 18 N -3.22 0.00 -0.18 5.02 0.11 0.40 -4.97 120.40 117.55 1xf4 s VAL 18 Ca 0.26 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 1xf4 s VAL 18 Cb 0.04 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1xf4 s VAL 18 CO 0.14 -0.01 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.04 1xf4 s LYS 19 N 0.12 1.98 0.28 1.54 2.20 -1.26 -0.12 119.74 124.49 1xf4 s LYS 19 Ca -0.01 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 54.94 1xf4 s LYS 19 Cb -0.03 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.98 1xf4 s LYS 19 CO 0.01 -0.39 0.24 0.00 -0.36 0.00 0.00 175.35 174.86 1xf4 s MET 20 N 1.45 2.88 0.30 4.03 0.23 -0.72 -4.98 119.30 122.49 1xf4 s MET 20 Ca 0.00 -1.13 0.07 0.00 -1.03 0.00 0.00 55.69 53.61 1xf4 s MET 20 Cb -0.15 -2.55 -0.06 0.00 -1.53 0.00 0.00 34.83 30.53 1xf4 s MET 20 CO -0.09 0.28 -0.06 -1.54 -2.03 0.00 0.00 175.02 171.58 1xf4 s SER 21 N -3.91 3.06 -0.15 -1.18 1.04 -1.26 -2.37 113.70 108.92 1xf4 s SER 21 Ca 0.36 -1.20 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 1xf4 s SER 21 Cb -0.07 -0.22 0.07 0.00 0.10 0.00 0.00 66.02 65.89 1xf4 s SER 21 CO 0.26 -0.31 0.15 0.00 0.98 0.00 0.00 173.24 174.32 1xf4 s LYS 23 N 2.25 3.96 -0.08 0.00 2.47 0.18 -0.70 119.74 127.82 1xf4 s LYS 23 Ca 0.04 -0.32 -0.00 0.00 -1.56 0.00 0.00 55.97 54.12 1xf4 s LYS 23 Cb -0.15 -3.51 -0.03 0.00 -1.46 0.00 0.00 37.83 32.68 1xf4 s LYS 23 CO -0.09 -0.03 -0.03 0.00 0.16 0.00 0.00 175.35 175.36 1xf4 s ALA 24 N 1.28 3.13 0.11 3.13 0.00 -0.07 -0.41 121.76 128.93 1xf4 s ALA 24 Ca 0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 1xf4 s ALA 24 Cb -0.14 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1xf4 s ALA 24 CO 0.06 0.58 0.33 -1.54 0.00 0.00 0.00 175.76 175.18 1xf4 s SER 25 N -0.83 -0.11 0.00 0.00 1.04 -0.60 -4.82 113.70 108.38 1xf4 s SER 25 Ca 0.13 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1xf4 s SER 25 Cb -0.11 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1xf4 s SER 25 CO 0.02 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1xf4 n GLY 26 N -0.17 0.75 3.58 7.32 0.00 -1.26 -0.75 105.19 114.67 1xf4 n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1xf4 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf4 s TYR 27 N -2.72 -0.17 -0.61 1.61 1.13 -1.26 -4.25 117.35 111.08 1xf4 s TYR 27 Ca 0.00 -0.18 -0.27 0.00 -1.41 0.00 0.00 57.07 55.21 1xf4 s TYR 27 Cb 0.00 0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1xf4 s TYR 27 CO 0.00 -0.98 1.63 0.99 -2.51 0.00 0.00 175.55 174.68 1xf4 s THR 28 N -3.87 3.54 0.49 -3.49 2.01 -1.26 -4.87 115.64 108.19 1xf4 s THR 28 Ca 0.09 0.37 0.36 0.00 0.31 0.00 0.00 61.69 62.82 1xf4 s THR 28 Cb -0.02 -4.25 0.57 0.00 0.01 0.00 0.00 72.50 68.81 1xf4 s THR 28 CO -0.02 -1.14 1.65 0.15 -0.69 0.00 0.00 174.62 174.57 1xf4 h PHE 29 N 12.87 0.29 -0.00 4.92 3.57 -1.94 -1.47 116.94 135.18 1xf4 h PHE 29 Ca -0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1xf4 h PHE 29 Cb 1.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1xf4 h PHE 29 CO 1.05 -0.09 -0.47 0.25 -2.23 0.00 0.00 178.31 176.82 1xf4 n THR 30 N -4.38 0.00 0.56 4.41 -2.24 -1.26 -3.96 114.28 107.41 1xf4 n THR 30 Ca 0.36 -0.03 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1xf4 n THR 30 Cb 1.53 0.33 0.29 0.00 -2.10 0.00 0.00 70.33 70.38 1xf4 n THR 30 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xf4 h SER 31 N 0.29 0.00 -4.29 3.42 0.02 -1.67 -3.35 113.55 107.97 1xf4 h SER 31 Ca 0.00 -0.08 -0.52 0.00 -0.84 0.00 0.00 61.79 60.35 1xf4 h SER 31 Cb 0.50 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.78 1xf4 h SER 31 CO 0.00 0.04 -0.82 -0.31 -1.14 0.00 0.00 176.83 174.60 1xf4 s TYR 32 N -3.14 1.50 0.67 3.45 4.12 -1.25 -5.01 117.35 117.69 1xf4 s TYR 32 Ca 0.08 -0.34 -0.11 0.00 0.02 0.00 0.00 57.07 56.73 1xf4 s TYR 32 Cb 0.12 -0.92 -0.01 0.00 -1.52 0.00 0.00 41.96 39.63 1xf4 s TYR 32 CO 0.66 0.04 1.06 0.14 0.02 0.00 0.00 175.55 177.46 1xf4 s VAL 33 N -0.68 4.16 -0.17 0.71 -7.23 -1.26 -4.41 120.40 111.52 1xf4 s VAL 33 Ca 0.05 0.70 -0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1xf4 s VAL 33 Cb -0.08 -3.62 -0.00 0.00 0.56 0.00 0.00 36.38 33.24 1xf4 s VAL 33 CO 0.01 -0.92 -0.14 -0.32 -0.31 0.00 0.00 175.10 173.42 1xf4 s MET 34 N -5.19 3.23 0.10 4.82 1.75 -0.00 -1.90 119.30 122.11 1xf4 s MET 34 Ca 0.57 -0.73 0.02 0.00 -1.25 0.00 0.00 55.69 54.30 1xf4 s MET 34 Cb -0.12 -2.68 -0.04 0.00 2.84 0.00 0.00 34.83 34.83 1xf4 s MET 34 CO 0.54 -0.03 0.17 -1.01 -0.65 0.00 0.00 175.02 174.03 1xf4 s HIS 35 N 0.95 3.35 0.07 4.11 3.76 0.18 -1.40 115.29 126.31 1xf4 s HIS 35 Ca -0.03 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.10 1xf4 s HIS 35 Cb -0.15 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 1xf4 s HIS 35 CO -0.02 0.54 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.61 1xf4 s TRP 36 N -1.55 1.97 -0.15 1.40 0.52 -0.53 0.15 118.94 120.76 1xf4 s TRP 36 Ca 0.32 -0.39 -0.09 0.00 0.02 0.00 0.00 56.10 55.96 1xf4 s TRP 36 Cb -0.12 -1.14 0.05 0.00 -1.15 0.00 0.00 33.47 31.11 1xf4 s TRP 36 CO 0.25 0.15 0.37 0.08 0.02 0.00 0.00 176.95 177.83 1xf4 s VAL 37 N -0.91 -0.02 -0.04 4.03 1.01 -0.42 -1.81 120.40 122.23 1xf4 s VAL 37 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1xf4 s VAL 37 Cb -0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1xf4 s VAL 37 CO 0.03 0.04 0.04 -0.75 0.00 0.00 0.00 175.10 174.46 1xf4 s LYS 38 N 1.17 3.01 -0.34 2.72 2.20 -0.06 0.34 119.74 128.78 1xf4 s LYS 38 Ca -0.08 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1xf4 s LYS 38 Cb -0.08 -2.82 0.14 0.00 -1.51 0.00 0.00 37.83 33.56 1xf4 s LYS 38 CO -0.10 0.68 0.29 -1.14 -0.36 0.00 0.00 175.35 174.72 1xf4 s GLN 39 N -1.32 0.50 0.47 4.03 0.74 0.13 -0.42 119.66 123.79 1xf4 s GLN 39 Ca 0.18 -0.76 -0.24 0.00 0.05 0.00 0.00 55.36 54.59 1xf4 s GLN 39 Cb -0.12 -0.88 -0.08 0.00 1.10 0.00 0.00 33.01 33.03 1xf4 s GLN 39 CO 0.08 -1.14 1.26 1.63 -0.55 0.00 0.00 175.29 176.57 1xf4 n LYS 40 N 4.55 1.76 -1.52 1.67 5.02 -1.26 -2.15 118.16 126.23 1xf4 n LYS 40 Ca 0.06 0.63 -0.43 0.00 -2.02 0.00 0.00 58.31 56.56 1xf4 n LYS 40 Cb 0.43 -2.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.03 1xf4 n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xf4 n PRO 41 N -0.34 0.91 -0.83 1.97 -0.04 -1.26 -1.32 135.00 134.10 1xf4 n PRO 41 Ca 0.08 0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1xf4 n PRO 41 Cb 0.42 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 1xf4 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xf4 n GLY 42 N 1.51 0.23 0.98 0.55 0.00 -1.26 -4.93 105.19 102.27 1xf4 n GLY 42 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1xf4 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xf4 n GLN 43 N 0.28 1.46 -0.32 1.61 6.02 -0.43 -5.15 117.38 120.85 1xf4 n GLN 43 Ca -0.02 -0.94 -0.07 0.00 -0.01 0.00 0.00 57.00 55.96 1xf4 n GLN 43 Cb 0.38 0.17 0.05 0.00 1.02 0.00 0.00 30.24 31.86 1xf4 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xf4 n GLY 44 N 3.32 -1.97 3.73 1.08 0.00 -1.26 -4.80 105.19 105.28 1xf4 n GLY 44 Ca -0.03 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 1xf4 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xf4 s LEU 45 N 0.00 3.74 -0.08 0.99 1.43 -1.26 -4.38 118.68 119.11 1xf4 s LEU 45 Ca 0.17 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1xf4 s LEU 45 Cb -0.01 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1xf4 s LEU 45 CO 0.12 0.34 -0.01 -0.70 0.23 0.00 0.00 176.35 176.33 1xf4 s GLU 46 N -1.22 0.78 0.08 1.70 2.12 0.44 -4.96 118.70 117.63 1xf4 s GLU 46 Ca 0.17 0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.23 1xf4 s GLU 46 Cb -0.12 -1.09 -0.08 0.00 0.26 0.00 0.00 34.13 33.10 1xf4 s GLU 46 CO 0.07 -0.30 1.62 -0.46 -0.54 0.00 0.00 175.26 175.65 1xf4 s TRP 47 N 1.92 2.57 -0.20 5.30 -0.00 -1.26 -0.88 118.94 126.38 1xf4 s TRP 47 Ca 0.05 0.42 0.02 0.00 -0.00 0.00 0.00 56.10 56.58 1xf4 s TRP 47 Cb -0.12 -3.93 -0.21 0.00 -0.00 0.00 0.00 33.47 29.21 1xf4 s TRP 47 CO -0.06 -3.66 0.01 -0.89 -0.00 0.00 0.00 176.95 172.35 1xf4 n ILE 48 N 4.59 1.57 -0.20 5.86 5.41 -0.75 -4.71 119.36 131.13 1xf4 n ILE 48 Ca 0.15 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1xf4 n ILE 48 Cb 0.40 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 1xf4 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xf4 n GLY 49 N 2.10 -0.13 3.22 7.39 0.00 -1.25 -1.33 105.19 115.20 1xf4 n GLY 49 Ca -0.39 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 1xf4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf4 s TYR 50 N -1.47 0.02 -0.03 1.61 -0.85 0.57 -1.45 117.35 115.74 1xf4 s TYR 50 Ca 0.00 -0.30 0.06 0.00 -0.52 0.00 0.00 57.07 56.30 1xf4 s TYR 50 Cb 0.00 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 1xf4 s TYR 50 CO 0.00 -0.52 -0.19 -1.50 -1.52 0.00 0.00 175.55 171.82 1xf4 s ILE 51 N -3.18 2.69 -0.47 -3.49 2.07 -0.49 -0.06 121.20 118.27 1xf4 s ILE 51 Ca -0.00 -0.92 -0.20 0.00 -1.41 0.00 0.00 60.65 58.12 1xf4 s ILE 51 Cb 0.02 -2.03 0.04 0.00 0.13 0.00 0.00 42.46 40.61 1xf4 s ILE 51 CO -0.07 0.55 0.64 0.21 -1.91 0.00 0.00 174.94 174.35 1xf4 s ASN 52 N -0.80 6.28 0.38 4.50 2.47 0.53 -0.82 114.94 127.48 1xf4 s ASN 52 Ca 0.11 -0.57 0.27 0.00 0.42 0.00 0.00 52.86 53.09 1xf4 s ASN 52 Cb -0.10 -2.31 1.30 0.00 -1.45 0.00 0.00 41.25 38.69 1xf4 s ASN 52 CO 0.01 -0.83 1.82 -0.65 -3.72 0.00 0.00 177.10 173.73 1xf4 h PRO 52 N 8.93 0.00 -0.06 0.43 0.11 -1.85 0.62 132.00 140.19 1xf4 h PRO 52 Ca -0.26 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 1xf4 h PRO 52 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xf4 h PRO 52 CO 0.92 0.00 -0.27 -0.92 -0.21 0.00 0.00 178.00 177.52 1xf4 h TYR 53 N 0.00 0.39 -0.00 0.65 5.03 -1.88 -3.38 116.97 117.78 1xf4 h TYR 53 Ca 0.00 -0.17 0.00 0.00 2.58 0.00 0.00 58.73 61.14 1xf4 h TYR 53 Cb 0.20 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1xf4 h TYR 53 CO 0.00 0.90 -0.10 0.27 -1.32 0.00 0.00 178.16 177.90 1xf4 n ASN 54 N -4.47 0.99 -0.68 -2.11 0.23 -1.09 -4.97 115.26 103.15 1xf4 n ASN 54 Ca -0.08 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.88 1xf4 n ASN 54 Cb 0.48 0.41 -0.04 0.00 -2.08 0.00 0.00 39.78 38.55 1xf4 n ASN 54 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xf4 n ASP 55 N -0.26 -4.96 -4.75 0.53 8.00 0.22 -4.97 116.55 110.36 1xf4 n ASP 55 Ca 0.03 0.22 -0.41 0.00 0.71 0.00 0.00 54.79 55.34 1xf4 n ASP 55 Cb 0.12 -3.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.95 1xf4 n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xf4 s GLY 56 N -2.50 2.67 0.03 0.44 0.00 -1.12 -4.73 107.32 102.11 1xf4 s GLY 56 Ca 0.00 1.12 0.06 0.00 0.00 0.00 0.00 44.72 45.90 1xf4 s GLY 56 CO 0.00 1.96 -0.18 -1.59 0.00 0.00 0.00 173.10 173.29 1xf4 s THR 57 N -0.37 1.44 -0.06 0.90 2.01 -1.26 0.20 115.64 118.51 1xf4 s THR 57 Ca 0.53 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1xf4 s THR 57 Cb -0.37 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1xf4 s THR 57 CO 0.42 0.18 -0.06 -0.75 -0.69 0.00 0.00 174.62 173.72 1xf4 s LYS 58 N -1.02 1.09 0.01 4.92 2.47 0.92 -4.99 119.74 123.13 1xf4 s LYS 58 Ca 0.06 -0.18 0.07 0.00 -1.56 0.00 0.00 55.97 54.36 1xf4 s LYS 58 Cb -0.08 -1.06 -0.03 0.00 -1.46 0.00 0.00 37.83 35.20 1xf4 s LYS 58 CO 0.01 -0.09 -0.20 0.71 0.16 0.00 0.00 175.35 175.94 1xf4 s TYR 59 N 1.01 2.50 -0.08 4.03 2.02 -1.26 -0.32 117.35 125.25 1xf4 s TYR 59 Ca -0.09 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.01 1xf4 s TYR 59 Cb -0.14 -1.49 -0.06 0.00 -0.40 0.00 0.00 41.96 39.87 1xf4 s TYR 59 CO -0.00 0.16 1.82 1.21 -1.57 0.00 0.00 175.55 177.17 1xf4 s ASN 60 N -1.10 6.37 0.24 2.29 3.84 -0.44 -4.89 114.94 121.25 1xf4 s ASN 60 Ca 0.13 2.20 0.09 0.00 0.21 0.00 0.00 52.86 55.49 1xf4 s ASN 60 Cb -0.10 -2.53 0.78 0.00 -0.55 0.00 0.00 41.25 38.85 1xf4 s ASN 60 CO 0.02 -1.18 1.10 -0.62 -2.79 0.00 0.00 177.10 173.64 1xf4 n GLU 61 N 7.60 -0.05 0.08 0.43 4.71 -1.26 0.40 120.64 132.55 1xf4 n GLU 61 Ca 0.20 1.00 0.01 0.00 -0.01 0.00 0.00 57.16 58.36 1xf4 n GLU 61 Cb 0.43 -1.71 0.32 0.00 -1.01 0.00 0.00 31.44 29.47 1xf4 n GLU 61 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1xf4 h LYS 62 N 0.00 0.33 -0.03 3.49 1.57 -1.94 -2.55 116.57 117.44 1xf4 h LYS 62 Ca 0.53 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1xf4 h LYS 62 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1xf4 h LYS 62 CO -0.59 0.49 0.00 1.19 -0.57 0.00 0.00 179.45 179.97 1xf4 n PHE 63 N -4.22 0.02 -1.94 -1.35 3.72 0.16 -4.86 117.46 108.99 1xf4 n PHE 63 Ca -0.00 -0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1xf4 n PHE 63 Cb 0.31 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 1xf4 n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xf4 s LYS 64 N -1.98 3.79 0.00 -1.08 3.01 -0.96 -0.97 119.74 121.54 1xf4 s LYS 64 Ca 0.34 1.94 0.00 0.00 -1.01 0.00 0.00 55.97 57.24 1xf4 s LYS 64 Cb 0.21 -4.11 0.00 0.00 -1.01 0.00 0.00 37.83 32.92 1xf4 s LYS 64 CO 0.32 -1.32 0.00 0.41 0.51 0.00 0.00 175.35 175.27 1xf4 n GLY 65 N 4.76 0.81 0.04 -3.33 0.00 -1.26 -4.91 105.19 101.30 1xf4 n GLY 65 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xf4 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xf4 n LYS 66 N -0.84 0.00 -4.46 1.61 3.00 -0.14 -5.73 118.16 111.60 1xf4 n LYS 66 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1xf4 n LYS 66 Cb 0.38 -0.34 -0.10 0.00 0.00 0.00 0.00 35.03 34.97 1xf4 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xf4 s ALA 67 N -1.02 3.07 -0.09 3.14 0.00 -0.72 -4.18 121.76 121.96 1xf4 s ALA 67 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1xf4 s ALA 67 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1xf4 s ALA 67 CO 0.00 0.61 -0.14 0.99 0.00 0.00 0.00 175.76 177.22 1xf4 s THR 68 N -0.96 1.33 -0.12 0.00 2.01 0.22 -4.86 115.64 113.25 1xf4 s THR 68 Ca 0.16 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 1xf4 s THR 68 Cb -0.11 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1xf4 s THR 68 CO 0.06 0.40 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.55 1xf4 s LEU 69 N 0.84 3.02 0.22 4.42 1.43 -1.26 -0.38 118.68 126.97 1xf4 s LEU 69 Ca -0.10 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1xf4 s LEU 69 Cb -0.15 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1xf4 s LEU 69 CO 0.01 0.22 0.15 0.42 0.23 0.00 0.00 176.35 177.39 1xf4 s THR 70 N 0.01 0.00 -0.19 5.49 -4.23 -0.67 -4.98 115.64 111.07 1xf4 s THR 70 Ca -0.02 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 1xf4 s THR 70 Cb -0.14 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.26 1xf4 s THR 70 CO 0.03 0.00 0.59 -0.94 -0.54 0.00 0.00 174.62 173.77 1xf4 s SER 71 N -3.18 -0.60 -0.34 3.99 1.04 -1.26 -0.64 113.70 112.70 1xf4 s SER 71 Ca 0.39 1.07 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1xf4 s SER 71 Cb 0.06 1.08 0.06 0.00 0.10 0.00 0.00 66.02 67.32 1xf4 s SER 71 CO 0.14 -0.28 0.09 -0.62 0.98 0.00 0.00 173.24 173.55 1xf4 s ASP 72 N 0.01 5.15 0.45 7.02 3.68 0.00 -4.96 116.67 128.03 1xf4 s ASP 72 Ca -0.02 -1.37 0.31 0.00 2.13 0.00 0.00 52.55 53.60 1xf4 s ASP 72 Cb -0.04 -1.80 1.39 0.00 -1.45 0.00 0.00 42.92 41.02 1xf4 s ASP 72 CO 0.02 -0.35 1.92 0.07 0.13 0.00 0.00 175.17 176.97 1xf4 h LYS 73 N 8.11 0.00 0.00 4.34 5.09 -1.87 -2.04 116.57 130.20 1xf4 h LYS 73 Ca -0.21 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.31 1xf4 h LYS 73 Cb 1.07 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.40 1xf4 h LYS 73 CO 0.60 0.00 -0.95 0.66 -2.09 0.00 0.00 179.45 177.67 1xf4 h SER 74 N 0.00 0.55 -0.40 7.07 4.64 -1.96 -3.29 113.55 120.16 1xf4 h SER 74 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xf4 h SER 74 Cb 0.33 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1xf4 h SER 74 CO 0.00 1.24 0.00 -1.54 -0.87 0.00 0.00 176.83 175.66 1xf4 n SER 75 N -3.75 3.07 -4.01 4.97 3.41 -1.06 -4.98 113.62 111.27 1xf4 n SER 75 Ca -0.07 -1.96 -0.27 0.00 -0.26 0.00 0.00 58.87 56.31 1xf4 n SER 75 Cb 0.84 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1xf4 n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf4 n SER 76 N 0.79 -0.40 -3.90 4.04 7.64 -0.80 -4.74 113.62 116.25 1xf4 n SER 76 Ca 0.14 -1.07 -0.23 0.00 1.01 0.00 0.00 58.87 58.72 1xf4 n SER 76 Cb 0.46 -2.75 -0.17 0.00 -1.01 0.00 0.00 64.21 60.74 1xf4 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf4 s THR 77 N -4.01 0.75 0.15 0.44 2.01 -1.03 -0.90 115.64 113.06 1xf4 s THR 77 Ca 0.04 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1xf4 s THR 77 Cb -0.02 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 1xf4 s THR 77 CO 0.91 0.29 0.39 0.00 -0.69 0.00 0.00 174.62 175.52 1xf4 s ALA 78 N 1.23 3.78 0.04 7.40 0.00 0.12 -0.82 121.76 133.51 1xf4 s ALA 78 Ca -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1xf4 s ALA 78 Cb -0.14 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1xf4 s ALA 78 CO -0.02 0.65 -0.08 0.71 0.00 0.00 0.00 175.76 177.02 1xf4 s TYR 79 N -1.68 0.70 -0.05 0.00 2.02 0.19 -0.67 117.35 117.85 1xf4 s TYR 79 Ca 0.41 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1xf4 s TYR 79 Cb -0.12 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1xf4 s TYR 79 CO 0.25 -0.06 -0.02 1.41 -1.57 0.00 0.00 175.55 175.55 1xf4 s MET 80 N -1.35 0.67 -0.13 -0.62 -2.45 -1.00 -1.67 119.30 112.76 1xf4 s MET 80 Ca -0.07 -0.02 -0.02 0.00 -1.25 0.00 0.00 55.69 54.33 1xf4 s MET 80 Cb -0.09 -0.81 -0.03 0.00 1.25 0.00 0.00 34.83 35.16 1xf4 s MET 80 CO 0.00 -0.15 -0.06 -2.00 1.05 0.00 0.00 175.02 173.87 1xf4 s GLU 81 N 1.20 3.37 0.36 4.11 2.12 0.48 -1.75 118.70 128.59 1xf4 s GLU 81 Ca -0.07 -0.55 0.08 0.00 0.36 0.00 0.00 54.97 54.79 1xf4 s GLU 81 Cb -0.14 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 1xf4 s GLU 81 CO -0.02 0.36 0.11 -0.51 -0.54 0.00 0.00 175.26 174.66 1xf4 s LEU 82 N 0.02 3.13 0.00 2.70 1.43 0.83 -0.61 118.68 126.18 1xf4 s LEU 82 Ca -0.01 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1xf4 s LEU 82 Cb -0.14 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1xf4 s LEU 82 CO 0.03 -0.35 0.00 -1.20 0.23 0.00 0.00 176.35 175.06 1xf4 n SER 82 N -1.11 0.00 -4.68 2.29 7.64 -0.91 -0.46 113.62 116.40 1xf4 n SER 82 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 1xf4 n SER 82 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 1xf4 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xf4 s LEU 82 N -2.84 4.34 0.48 -3.43 1.43 0.22 -4.51 118.68 114.37 1xf4 s LEU 82 Ca 0.00 2.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.48 1xf4 s LEU 82 Cb 0.00 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1xf4 s LEU 82 CO 0.00 -0.89 0.10 0.28 0.23 0.00 0.00 176.35 176.08 1xf4 s THR 83 N 3.26 1.59 0.26 5.49 -1.32 -1.26 0.39 115.64 124.05 1xf4 s THR 83 Ca 0.73 -1.86 0.20 0.00 -1.21 0.00 0.00 61.69 59.55 1xf4 s THR 83 Cb -0.36 -2.45 0.17 0.00 -1.51 0.00 0.00 72.50 68.35 1xf4 s THR 83 CO 0.31 0.00 1.84 0.77 -2.21 0.00 0.00 174.62 175.33 1xf4 h SER 84 N 1.34 0.00 0.00 8.08 4.64 -1.96 -1.05 113.55 124.60 1xf4 h SER 84 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1xf4 h SER 84 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xf4 h SER 84 CO 0.72 0.30 0.04 -0.62 -0.87 0.00 0.00 176.83 176.40 1xf4 n GLU 85 N -3.65 0.02 0.00 4.77 1.02 -1.26 -1.22 120.64 120.32 1xf4 n GLU 85 Ca -0.01 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1xf4 n GLU 85 Cb 0.42 -1.60 0.09 0.00 -0.02 0.00 0.00 31.44 30.33 1xf4 n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xf4 n ASP 86 N -1.56 2.90 -4.70 1.62 10.43 -0.40 -4.93 116.55 119.91 1xf4 n ASP 86 Ca -0.00 -1.95 -0.42 0.00 2.57 0.00 0.00 54.79 54.99 1xf4 n ASP 86 Cb 0.05 0.04 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 1xf4 n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xf4 s SER 87 N -2.02 6.83 0.00 -2.24 0.01 -0.36 -4.78 113.70 111.15 1xf4 s SER 87 Ca 0.27 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1xf4 s SER 87 Cb 0.20 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1xf4 s SER 87 CO 0.32 -0.70 0.00 0.00 0.41 0.00 0.00 173.24 173.27 1xf4 n ALA 88 N 4.88 0.00 -2.69 1.44 0.00 -0.23 -4.57 120.51 119.34 1xf4 n ALA 88 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 1xf4 n ALA 88 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1xf4 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xf4 s VAL 89 N -2.00 5.06 -0.10 0.00 1.01 -0.91 -0.72 120.40 122.73 1xf4 s VAL 89 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.16 1xf4 s VAL 89 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1xf4 s VAL 89 CO 0.00 0.19 -0.03 -0.31 0.00 0.00 0.00 175.10 174.95 1xf4 s TYR 90 N 1.38 3.07 0.08 5.22 2.02 -0.13 0.19 117.35 129.18 1xf4 s TYR 90 Ca 0.30 0.02 0.09 0.00 -0.37 0.00 0.00 57.07 57.11 1xf4 s TYR 90 Cb -0.16 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1xf4 s TYR 90 CO 0.12 0.29 -0.24 0.71 -1.57 0.00 0.00 175.55 174.86 1xf4 s TYR 91 N -0.50 2.10 -0.08 2.71 2.02 0.15 0.13 117.35 123.88 1xf4 s TYR 91 Ca 0.08 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1xf4 s TYR 91 Cb -0.12 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1xf4 s TYR 91 CO 0.02 0.20 -0.06 0.00 -1.57 0.00 0.00 175.55 174.15 1xf4 s VAL 93 N -0.72 0.48 0.24 0.00 1.01 0.12 -1.79 120.40 119.74 1xf4 s VAL 93 Ca 0.11 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1xf4 s VAL 93 Cb -0.11 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1xf4 s VAL 93 CO 0.02 0.24 1.32 -0.60 0.00 0.00 0.00 175.10 176.08 1xf4 s ARG 94 N 1.36 4.38 -0.51 2.72 3.52 0.44 -0.64 118.95 130.21 1xf4 s ARG 94 Ca -0.04 2.12 -0.16 0.00 -0.13 0.00 0.00 55.73 57.51 1xf4 s ARG 94 Cb -0.13 -3.15 0.09 0.00 -1.56 0.00 0.00 34.95 30.20 1xf4 s ARG 94 CO -0.02 -0.24 0.49 0.20 -0.81 0.00 0.00 175.30 174.91 1xf4 s GLY 95 N 0.09 2.01 0.00 8.12 0.00 -0.80 -1.01 107.32 115.73 1xf4 s GLY 95 Ca 0.55 -2.23 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1xf4 s GLY 95 CO 0.42 1.20 0.00 0.61 0.00 0.00 0.00 173.10 175.33 1xf4 n GLY 96 N 5.22 0.57 0.00 0.20 0.00 0.10 -4.23 105.19 107.06 1xf4 n GLY 96 Ca -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1xf4 n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xf4 n TYR 97 N 7.98 0.00 -0.45 1.61 0.53 -1.26 -4.81 117.16 120.76 1xf4 n TYR 97 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1xf4 n TYR 97 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 1xf4 n TYR 97 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1xf4 n ARG 98 N 0.00 3.55 -0.17 -0.72 5.12 -1.26 -5.06 116.66 118.11 1xf4 n ARG 98 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1xf4 n ARG 98 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1xf4 n ARG 98 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1xf4 n PRO 99 N 0.00 0.00 -3.23 5.56 -0.06 -1.26 -5.14 135.00 130.87 1xf4 n PRO 99 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 63.50 63.40 1xf4 n PRO 99 Cb 0.00 -2.33 -0.03 0.00 -0.06 0.00 0.00 33.50 31.09 1xf4 n PRO 99 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 175.50 174.97 1xf4 s TYR 100 N -0.42 -1.30 0.06 0.54 5.04 -1.26 -5.11 117.35 114.89 1xf4 s TYR 100 Ca 0.00 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.54 1xf4 s TYR 100 Cb 0.00 0.11 -0.04 0.00 0.35 0.00 0.00 41.96 42.38 1xf4 s TYR 100 CO 0.00 -1.12 0.10 0.00 -1.34 0.00 0.00 175.55 173.19 1xf4 s ALA 100 N 1.66 3.64 0.01 3.97 0.00 -1.26 -4.63 121.76 125.15 1xf4 s ALA 100 Ca 0.17 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1xf4 s ALA 100 Cb -0.07 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1xf4 s ALA 100 CO -0.06 0.75 1.56 -1.64 0.00 0.00 0.00 175.76 176.37 1xf4 s MET 100 N -2.28 4.22 0.00 0.00 1.00 -1.26 0.02 119.30 121.00 1xf4 s MET 100 Ca 0.29 2.15 0.00 0.00 0.00 0.00 0.00 55.69 58.13 1xf4 s MET 100 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 34.83 31.01 1xf4 s MET 100 CO 0.21 -0.71 0.00 -0.40 0.00 0.00 0.00 175.02 174.12 1xf4 n ASP 101 N 5.97 3.98 -4.32 3.03 5.68 -0.18 -4.85 116.55 125.86 1xf4 n ASP 101 Ca 0.15 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.09 1xf4 n ASP 101 Cb 0.42 0.07 -0.14 0.00 -1.14 0.00 0.00 41.12 40.33 1xf4 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1xf4 s TYR 102 N -1.96 2.95 -0.10 2.11 2.02 -1.19 -4.94 117.35 116.23 1xf4 s TYR 102 Ca 0.00 -0.91 -0.03 0.00 -0.37 0.00 0.00 57.07 55.76 1xf4 s TYR 102 Cb 0.00 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1xf4 s TYR 102 CO 0.00 -0.52 0.01 -1.58 -1.57 0.00 0.00 175.55 171.89 1xf4 s TRP 103 N 1.41 3.19 1.20 2.71 0.52 -1.26 -0.42 118.94 126.29 1xf4 s TRP 103 Ca 0.05 0.16 -0.20 0.00 0.02 0.00 0.00 56.10 56.13 1xf4 s TRP 103 Cb -0.14 -1.84 0.29 0.00 -1.15 0.00 0.00 33.47 30.63 1xf4 s TRP 103 CO -0.03 0.41 1.12 0.41 0.02 0.00 0.00 176.95 178.88 1xf4 n GLY 104 N 2.39 -2.62 0.14 0.98 0.00 -0.74 -4.79 105.19 100.54 1xf4 n GLY 104 Ca -0.18 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.45 1xf4 n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xf4 h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.47 115.11 111.33 1xf4 h GLN 105 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1xf4 h GLN 105 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 1xf4 h GLN 105 CO 0.27 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.51 1xf4 n GLY 106 N 0.80 -0.14 2.83 0.06 0.00 -1.26 -4.99 105.19 102.49 1xf4 n GLY 106 Ca 0.04 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 1xf4 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf4 s THR 107 N -2.40 0.72 -0.16 2.61 2.01 0.34 -4.77 115.64 113.99 1xf4 s THR 107 Ca 0.00 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 1xf4 s THR 107 Cb 0.00 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1xf4 s THR 107 CO 0.00 0.22 0.81 -0.55 -0.69 0.00 0.00 174.62 174.41 1xf4 s SER 108 N 1.82 6.95 -0.15 3.53 0.15 -1.26 -0.95 113.70 123.78 1xf4 s SER 108 Ca 0.04 1.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.83 1xf4 s SER 108 Cb -0.13 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1xf4 s SER 108 CO -0.07 -0.37 -0.10 -0.69 1.20 0.00 0.00 173.24 173.21 1xf4 s VAL 109 N 2.00 3.22 -0.25 4.45 1.01 0.10 -1.25 120.40 129.69 1xf4 s VAL 109 Ca 0.38 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xf4 s VAL 109 Cb -0.17 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1xf4 s VAL 109 CO 0.13 0.50 0.05 -0.89 0.00 0.00 0.00 175.10 174.90 1xf4 s THR 110 N 0.59 4.11 -0.41 3.92 2.01 -0.12 -1.07 115.64 124.67 1xf4 s THR 110 Ca -0.06 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1xf4 s THR 110 Cb -0.15 -2.95 0.06 0.00 0.01 0.00 0.00 72.50 69.47 1xf4 s THR 110 CO 0.03 0.31 0.26 -0.69 -0.69 0.00 0.00 174.62 173.85 1xf4 s VAL 111 N 1.58 4.52 0.17 3.82 1.01 -1.26 -1.59 120.40 128.65 1xf4 s VAL 111 Ca 0.06 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 1xf4 s VAL 111 Cb -0.15 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1xf4 s VAL 111 CO 0.02 -0.42 0.46 -0.55 0.00 0.00 0.00 175.10 174.62 1xf4 s SER 112 N 1.98 -0.22 0.14 3.32 0.15 -0.66 -4.26 113.70 114.14 1xf4 s SER 112 Ca 0.03 -0.47 0.23 0.00 0.70 0.00 0.00 55.95 56.44 1xf4 s SER 112 Cb -0.22 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1xf4 s SER 112 CO 0.05 -0.97 0.95 -1.54 1.20 0.00 0.00 173.24 172.92 1xf4 n SER 113 N -0.29 0.66 -4.56 5.45 3.41 -1.26 -3.75 113.62 113.27 1xf4 n SER 113 Ca -0.12 0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 1xf4 n SER 113 Cb 0.63 0.76 0.12 0.00 -0.26 0.00 0.00 64.21 65.46 1xf4 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf4 n ALA 114 N -2.14 -1.20 -2.48 7.33 0.00 -1.26 -5.03 120.51 115.73 1xf4 n ALA 114 Ca -0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.73 1xf4 n ALA 114 Cb 0.54 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 1xf4 n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xf4 s LYS 115 N -3.76 1.72 -0.06 0.00 3.01 -1.26 -5.02 119.74 114.37 1xf4 s LYS 115 Ca 0.66 -1.35 -0.37 0.00 -1.01 0.00 0.00 55.97 53.90 1xf4 s LYS 115 Cb -0.27 -2.01 -0.15 0.00 -1.01 0.00 0.00 37.83 34.39 1xf4 s LYS 115 CO 0.58 0.44 1.63 2.41 0.51 0.00 0.00 175.35 180.92 1xf4 n THR 116 N 0.42 0.23 -4.01 2.17 -1.04 -1.26 -4.73 114.28 106.05 1xf4 n THR 116 Ca -0.13 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.67 1xf4 n THR 116 Cb 0.55 -1.30 -0.15 0.00 -1.82 0.00 0.00 70.33 67.61 1xf4 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xf4 s THR 117 N 2.33 0.26 0.65 12.58 2.01 0.14 -4.93 115.64 128.69 1xf4 s THR 117 Ca 0.90 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 1xf4 s THR 117 Cb -0.89 -0.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1xf4 s THR 117 CO 0.53 0.13 1.15 -2.16 -0.69 0.00 0.00 174.62 173.57 1xf4 s PRO 118 N 0.60 2.76 0.32 4.92 0.04 -1.26 -1.10 135.00 141.27 1xf4 s PRO 118 Ca -0.06 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1xf4 s PRO 118 Cb -0.09 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1xf4 s PRO 118 CO -0.01 -1.31 0.70 -1.25 0.04 0.00 0.00 177.00 175.17 1xf4 s PRO 119 N -3.83 3.90 -0.14 0.56 0.04 -1.26 -4.40 135.00 129.88 1xf4 s PRO 119 Ca 0.71 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 1xf4 s PRO 119 Cb -0.24 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1xf4 s PRO 119 CO 0.39 0.16 0.39 -1.12 0.04 0.00 0.00 177.00 176.86 1xf4 s SER 120 N -2.49 6.57 -0.28 6.66 0.01 -0.14 -4.93 113.70 119.11 1xf4 s SER 120 Ca 0.52 0.67 -0.03 0.00 1.31 0.00 0.00 55.95 58.42 1xf4 s SER 120 Cb -0.10 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.92 1xf4 s SER 120 CO 0.21 0.05 -0.01 -0.69 0.41 0.00 0.00 173.24 173.21 1xf4 s VAL 121 N 0.56 3.19 0.02 3.43 1.01 -1.26 -0.22 120.40 127.13 1xf4 s VAL 121 Ca 0.21 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1xf4 s VAL 121 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1xf4 s VAL 121 CO 0.07 0.08 -0.13 -0.31 0.00 0.00 0.00 175.10 174.81 1xf4 s TYR 122 N 1.35 2.70 0.62 5.22 1.51 0.17 -4.92 117.35 124.01 1xf4 s TYR 122 Ca -0.01 -0.16 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 1xf4 s TYR 122 Cb -0.18 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1xf4 s TYR 122 CO -0.02 0.29 1.05 -1.25 -1.11 0.00 0.00 175.55 174.51 1xf4 s PRO 123 N -1.34 3.27 -0.21 -1.71 0.04 -1.26 -0.26 135.00 133.52 1xf4 s PRO 123 Ca 0.15 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1xf4 s PRO 123 Cb -0.11 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1xf4 s PRO 123 CO 0.06 -0.84 0.04 -0.51 0.04 0.00 0.00 177.00 175.79 1xf4 s LEU 124 N -4.87 1.23 -0.03 -3.56 1.43 -0.61 -4.75 118.68 107.53 1xf4 s LEU 124 Ca 0.60 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1xf4 s LEU 124 Cb -0.14 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 1xf4 s LEU 124 CO 0.44 -0.32 -0.12 0.00 0.23 0.00 0.00 176.35 176.58 1xf4 s ALA 125 N 1.85 1.06 0.00 4.21 0.00 -1.26 -0.86 121.76 126.76 1xf4 s ALA 125 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1xf4 s ALA 125 Cb -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1xf4 s ALA 125 CO -0.10 0.20 0.00 -2.30 0.00 0.00 0.00 175.76 173.55 1xf4 n PRO 126 N 3.15 0.00 0.08 0.00 -0.02 -1.26 -4.88 135.00 132.07 1xf4 n PRO 126 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1xf4 n PRO 126 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1xf4 n PRO 126 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xf4 n SER 134 N 0.00 0.00 -4.20 2.55 3.41 -1.26 -4.82 113.62 109.30 1xf4 n SER 134 Ca 0.00 0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.53 1xf4 n SER 134 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1xf4 n SER 134 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xf4 s MET 135 N -1.65 0.96 0.02 4.33 1.00 -1.26 -0.25 119.30 122.44 1xf4 s MET 135 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 55.69 54.79 1xf4 s MET 135 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 34.83 33.76 1xf4 s MET 135 CO 0.00 0.24 -0.25 0.14 0.00 0.00 0.00 175.02 175.15 1xf4 s VAL 136 N -1.14 1.98 -0.21 -6.03 -7.23 -0.10 -4.67 120.40 103.00 1xf4 s VAL 136 Ca 0.02 -1.21 -0.03 0.00 -1.81 0.00 0.00 61.98 58.94 1xf4 s VAL 136 Cb -0.10 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1xf4 s VAL 136 CO 0.03 0.43 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.30 1xf4 s THR 137 N -0.70 3.31 0.41 5.32 2.01 -1.26 -1.06 115.64 123.67 1xf4 s THR 137 Ca 0.10 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.66 1xf4 s THR 137 Cb -0.10 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1xf4 s THR 137 CO 0.01 0.44 0.36 -0.76 -0.69 0.00 0.00 174.62 173.98 1xf4 s LEU 138 N 1.37 3.42 0.35 4.42 1.43 0.95 -4.63 118.68 125.99 1xf4 s LEU 138 Ca 0.04 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1xf4 s LEU 138 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1xf4 s LEU 138 CO -0.03 -0.61 0.42 -0.83 0.23 0.00 0.00 176.35 175.53 1xf4 s GLY 139 N -4.11 1.85 -0.25 -3.19 0.00 -0.04 -1.68 107.32 99.90 1xf4 s GLY 139 Ca 0.47 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 43.29 1xf4 s GLY 139 CO 0.28 -1.17 0.62 0.00 0.00 0.00 0.00 173.10 172.82 1xf4 s LEU 141 N 1.40 2.11 -0.62 0.00 2.96 0.64 -0.96 118.68 124.19 1xf4 s LEU 141 Ca -0.08 -0.64 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1xf4 s LEU 141 Cb -0.06 -1.46 0.16 0.00 0.50 0.00 0.00 46.19 45.33 1xf4 s LEU 141 CO -0.15 -0.00 0.50 -0.69 -1.32 0.00 0.00 176.35 174.69 1xf4 s VAL 142 N 1.29 4.54 -0.06 1.68 1.01 0.13 0.47 120.40 129.46 1xf4 s VAL 142 Ca 0.05 -2.29 -0.04 0.00 0.00 0.00 0.00 61.98 59.70 1xf4 s VAL 142 Cb -0.13 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1xf4 s VAL 142 CO -0.13 -0.88 0.13 -0.75 0.00 0.00 0.00 175.10 173.47 1xf4 s LYS 143 N 0.63 3.34 -0.88 2.72 2.20 0.70 -1.28 119.74 127.17 1xf4 s LYS 143 Ca 0.12 -0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.40 1xf4 s LYS 143 Cb -0.20 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1xf4 s LYS 143 CO -0.04 0.72 0.72 0.41 -0.36 0.00 0.00 175.35 176.80 1xf4 n GLY 144 N 1.50 -1.20 3.61 5.54 0.00 -0.40 -0.96 105.19 113.28 1xf4 n GLY 144 Ca -0.16 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 1xf4 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf4 s TYR 145 N -3.14 2.47 -0.29 1.61 1.13 -0.56 -4.34 117.35 114.22 1xf4 s TYR 145 Ca 0.16 -0.70 -0.25 0.00 -1.41 0.00 0.00 57.07 54.87 1xf4 s TYR 145 Cb -0.04 -1.74 0.16 0.00 -1.10 0.00 0.00 41.96 39.24 1xf4 s TYR 145 CO 0.81 0.41 1.24 0.12 -2.51 0.00 0.00 175.55 175.62 1xf4 s PHE 146 N -2.76 -0.26 0.70 -3.49 5.36 -0.26 -0.39 117.98 116.89 1xf4 s PHE 146 Ca 0.35 0.63 -0.12 0.00 -0.96 0.00 0.00 56.93 56.83 1xf4 s PHE 146 Cb 0.10 0.42 0.16 0.00 -0.34 0.00 0.00 43.02 43.36 1xf4 s PHE 146 CO 0.18 -0.12 0.96 -0.35 -1.46 0.00 0.00 175.22 174.42 1xf4 n PRO 147 N 1.94 -0.93 -0.81 10.12 -0.04 -1.26 0.29 135.00 144.31 1xf4 n PRO 147 Ca -0.12 -1.49 -0.30 0.00 -0.04 0.00 0.00 63.50 61.56 1xf4 n PRO 147 Cb 0.56 -0.98 0.19 0.00 -0.04 0.00 0.00 33.50 33.23 1xf4 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf4 s GLU 148 N -5.09 0.41 0.66 0.54 0.41 -1.26 -4.75 118.70 109.62 1xf4 s GLU 148 Ca 0.54 1.07 -0.01 0.00 -0.41 0.00 0.00 54.97 56.16 1xf4 s GLU 148 Cb -0.01 -1.69 0.08 0.00 -1.78 0.00 0.00 34.13 30.73 1xf4 s GLU 148 CO 0.38 -2.89 0.92 -1.25 -0.49 0.00 0.00 175.26 171.93 1xf4 s PRO 149 N -4.67 2.05 0.17 0.39 0.04 -1.26 -4.94 135.00 126.78 1xf4 s PRO 149 Ca 0.66 -0.85 0.09 0.00 0.04 0.00 0.00 61.00 60.94 1xf4 s PRO 149 Cb -0.22 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1xf4 s PRO 149 CO 0.60 -1.16 -0.14 0.14 0.04 0.00 0.00 177.00 176.48 1xf4 s VAL 150 N -3.03 2.96 -0.04 -0.36 -7.23 -1.26 -4.41 120.40 107.03 1xf4 s VAL 150 Ca 0.62 -1.71 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 1xf4 s VAL 150 Cb -0.08 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1xf4 s VAL 150 CO 0.42 -0.08 -0.18 0.42 -0.31 0.00 0.00 175.10 175.37 1xf4 s THR 151 N -1.61 2.72 -0.03 5.32 -4.23 -0.61 -4.96 115.64 112.25 1xf4 s THR 151 Ca 0.23 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1xf4 s THR 151 Cb -0.09 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 1xf4 s THR 151 CO 0.13 0.59 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.89 1xf4 s VAL 152 N -0.65 2.45 0.25 2.29 1.01 -1.26 -0.53 120.40 123.96 1xf4 s VAL 152 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1xf4 s VAL 152 Cb -0.11 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1xf4 s VAL 152 CO 0.00 0.57 0.15 0.42 0.00 0.00 0.00 175.10 176.24 1xf4 s THR 153 N -0.67 0.18 -0.07 3.92 -4.23 -0.58 -4.99 115.64 109.19 1xf4 s THR 153 Ca 0.11 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1xf4 s THR 153 Cb -0.10 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1xf4 s THR 153 CO -0.00 0.00 -0.14 0.26 -0.54 0.00 0.00 174.62 174.20 1xf4 s TRP 154 N -3.86 1.59 -1.46 3.99 0.52 -1.26 -0.58 118.94 117.87 1xf4 s TRP 154 Ca 0.38 -0.60 -0.07 0.00 0.02 0.00 0.00 56.10 55.84 1xf4 s TRP 154 Cb 0.06 -1.15 0.05 0.00 -1.15 0.00 0.00 33.47 31.28 1xf4 s TRP 154 CO 0.16 -0.30 0.70 0.09 0.02 0.00 0.00 176.95 177.62 1xf4 n ASN 155 N 3.79 -2.21 -2.74 2.95 3.02 -0.58 -1.62 115.26 117.88 1xf4 n ASN 155 Ca -0.22 -0.90 -0.20 0.00 -0.03 0.00 0.00 54.58 53.23 1xf4 n ASN 155 Cb 0.52 -3.48 0.01 0.00 -0.61 0.00 0.00 39.78 36.21 1xf4 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xf4 n SER 156 N -2.91 -5.29 0.00 6.41 7.64 -1.26 -0.02 113.62 118.19 1xf4 n SER 156 Ca -0.15 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1xf4 n SER 156 Cb 0.61 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1xf4 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf4 n GLY 157 N -1.16 3.09 0.24 0.23 0.00 -1.11 -4.95 105.19 101.52 1xf4 n GLY 157 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1xf4 n GLY 157 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xf4 h SER 158 N 0.00 0.02 -3.57 1.61 0.87 -0.42 -3.32 113.55 108.74 1xf4 h SER 158 Ca 0.00 0.12 -0.71 0.00 -1.23 0.00 0.00 61.79 59.97 1xf4 h SER 158 Cb 0.00 0.16 -0.23 0.00 -0.44 0.00 0.00 62.40 61.89 1xf4 h SER 158 CO 0.00 0.01 -0.48 -0.76 -0.53 0.00 0.00 176.83 175.06 1xf4 s LEU 159 N -10.53 4.80 0.00 2.23 1.43 -0.64 -4.87 118.68 111.10 1xf4 s LEU 159 Ca -0.13 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1xf4 s LEU 159 Cb 0.19 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1xf4 s LEU 159 CO 0.74 -0.38 0.00 -1.54 0.23 0.00 0.00 176.35 175.40 1xf4 n SER 160 N 5.06 3.54 -4.84 2.29 3.41 -1.25 -4.03 113.62 117.81 1xf4 n SER 160 Ca -0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.18 1xf4 n SER 160 Cb 0.47 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1xf4 n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xf4 s SER 161 N -3.80 5.76 -0.94 4.04 1.04 -1.26 -4.09 113.70 114.45 1xf4 s SER 161 Ca 0.00 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1xf4 s SER 161 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1xf4 s SER 161 CO 0.00 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1xf4 n GLY 162 N -2.14 0.81 3.30 7.32 0.00 -1.26 -4.77 105.19 108.44 1xf4 n GLY 162 Ca 0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1xf4 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf4 s VAL 163 N -2.38 2.88 -0.31 1.61 1.01 -1.26 -1.27 120.40 120.69 1xf4 s VAL 163 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1xf4 s VAL 163 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xf4 s VAL 163 CO 0.00 0.50 0.10 -1.00 0.00 0.00 0.00 175.10 174.70 1xf4 s HIS 164 N 0.81 3.17 -0.42 5.22 3.76 -0.15 -4.97 115.29 122.71 1xf4 s HIS 164 Ca -0.04 -0.96 -0.08 0.00 -0.15 0.00 0.00 55.06 53.82 1xf4 s HIS 164 Cb -0.15 -2.28 0.09 0.00 1.11 0.00 0.00 32.58 31.34 1xf4 s HIS 164 CO 0.00 -0.58 0.25 0.99 -0.85 0.00 0.00 174.74 174.56 1xf4 s THR 165 N 1.51 4.06 0.58 1.30 2.01 -1.26 -0.04 115.64 123.80 1xf4 s THR 165 Ca 0.02 -1.52 -0.17 0.00 0.31 0.00 0.00 61.69 60.33 1xf4 s THR 165 Cb -0.17 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1xf4 s THR 165 CO 0.03 -0.54 1.06 -0.36 -0.69 0.00 0.00 174.62 174.12 1xf4 s PHE 166 N 1.38 2.93 0.78 4.92 0.08 -1.01 -5.03 117.98 122.02 1xf4 s PHE 166 Ca 0.04 1.53 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 1xf4 s PHE 166 Cb -0.23 -3.06 0.04 0.00 -0.57 0.00 0.00 43.02 39.20 1xf4 s PHE 166 CO 0.01 -1.16 1.03 -2.30 -0.10 0.00 0.00 175.22 172.71 1xf4 n PRO 167 N -1.82 0.31 -3.35 0.24 -0.02 -1.26 -4.61 135.00 124.49 1xf4 n PRO 167 Ca 0.09 0.17 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 1xf4 n PRO 167 Cb 0.53 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1xf4 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf4 s ALA 168 N -1.99 3.62 0.16 3.55 0.00 -1.26 -4.77 121.76 121.07 1xf4 s ALA 168 Ca 0.72 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1xf4 s ALA 168 Cb -0.31 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1xf4 s ALA 168 CO 0.52 0.43 0.07 0.14 0.00 0.00 0.00 175.76 176.91 1xf4 s VAL 169 N -1.11 4.11 -0.65 0.00 -7.23 0.01 -4.89 120.40 110.64 1xf4 s VAL 169 Ca 0.28 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 58.95 1xf4 s VAL 169 Cb -0.19 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 33.72 1xf4 s VAL 169 CO 0.17 -0.10 1.16 -0.22 -0.31 0.00 0.00 175.10 175.81 1xf4 s LEU 170 N -2.98 3.56 -0.79 1.32 2.96 -1.26 -1.30 118.68 120.18 1xf4 s LEU 170 Ca 0.29 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1xf4 s LEU 170 Cb -0.10 -2.77 0.21 0.00 0.50 0.00 0.00 46.19 44.03 1xf4 s LEU 170 CO 0.21 -1.58 0.71 -1.58 -1.32 0.00 0.00 176.35 172.78 1xf4 s GLN 171 N 5.00 3.39 -0.53 1.98 0.74 -0.08 -4.84 119.66 125.33 1xf4 s GLN 171 Ca 0.35 -2.52 -0.18 0.00 0.05 0.00 0.00 55.36 53.07 1xf4 s GLN 171 Cb -0.10 -4.27 0.02 0.00 1.10 0.00 0.00 33.01 29.76 1xf4 s GLN 171 CO 0.18 -1.26 0.64 -1.13 -0.55 0.00 0.00 175.29 173.16 1xf4 n SER 172 N 3.80 -6.97 0.00 6.67 3.41 -1.26 -3.18 113.62 116.09 1xf4 n SER 172 Ca 0.13 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1xf4 n SER 172 Cb 0.45 -4.02 0.00 0.00 -0.26 0.00 0.00 64.21 60.37 1xf4 n SER 172 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xf4 n ASP 173 N -0.78 0.00 -4.38 4.04 3.85 -1.26 -4.94 116.55 113.09 1xf4 n ASP 173 Ca -0.00 0.00 -0.20 0.00 -0.71 0.00 0.00 54.79 53.88 1xf4 n ASP 173 Cb 0.55 -0.39 -0.10 0.00 -1.35 0.00 0.00 41.12 39.83 1xf4 n ASP 173 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1xf4 s LEU 174 N 0.00 2.54 0.06 -2.12 1.02 -1.19 -4.86 118.68 114.13 1xf4 s LEU 174 Ca 0.00 -1.06 0.00 0.00 0.02 0.00 0.00 54.13 53.09 1xf4 s LEU 174 Cb 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 46.19 45.47 1xf4 s LEU 174 CO 0.00 -0.19 0.19 -0.31 0.02 0.00 0.00 176.35 176.06 1xf4 s TYR 175 N -2.94 3.47 -0.02 0.29 2.02 0.47 -0.90 117.35 119.74 1xf4 s TYR 175 Ca 0.25 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1xf4 s TYR 175 Cb -0.00 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1xf4 s TYR 175 CO 0.09 0.58 -0.09 0.99 -1.57 0.00 0.00 175.55 175.55 1xf4 s THR 176 N -1.49 0.74 0.02 -0.71 2.01 -0.42 -1.27 115.64 114.52 1xf4 s THR 176 Ca 0.34 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 1xf4 s THR 176 Cb -0.13 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1xf4 s THR 176 CO 0.27 0.23 0.24 -0.22 -0.69 0.00 0.00 174.62 174.45 1xf4 s LEU 177 N 0.10 1.17 0.30 4.42 0.20 -0.40 -0.81 118.68 123.65 1xf4 s LEU 177 Ca -0.01 -0.18 0.07 0.00 0.69 0.00 0.00 54.13 54.70 1xf4 s LEU 177 Cb -0.07 1.06 -0.06 0.00 -0.43 0.00 0.00 46.19 46.69 1xf4 s LEU 177 CO 0.00 -0.50 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.56 1xf4 s SER 178 N -1.73 2.99 -0.01 3.68 1.04 -1.26 -0.69 113.70 117.72 1xf4 s SER 178 Ca -0.09 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.11 1xf4 s SER 178 Cb -0.03 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 1xf4 s SER 178 CO -0.00 -0.33 0.04 -0.55 0.98 0.00 0.00 173.24 173.37 1xf4 s SER 179 N -3.49 0.04 0.05 7.02 0.15 -0.14 -2.41 113.70 114.92 1xf4 s SER 179 Ca 0.31 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1xf4 s SER 179 Cb 0.04 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1xf4 s SER 179 CO 0.13 -0.14 -0.19 -0.94 1.20 0.00 0.00 173.24 173.31 1xf4 s SER 180 N -0.55 2.22 -0.03 5.45 1.04 0.95 -1.47 113.70 121.30 1xf4 s SER 180 Ca -0.06 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.87 1xf4 s SER 180 Cb -0.04 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1xf4 s SER 180 CO -0.00 0.11 -0.10 0.54 0.98 0.00 0.00 173.24 174.76 1xf4 s VAL 181 N -0.86 0.89 -0.14 5.02 0.11 -0.68 -0.98 120.40 123.77 1xf4 s VAL 181 Ca 0.05 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1xf4 s VAL 181 Cb -0.09 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1xf4 s VAL 181 CO 0.02 0.28 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.08 1xf4 s THR 182 N 0.27 3.33 0.07 5.04 2.01 -0.40 -0.03 115.64 125.93 1xf4 s THR 182 Ca -0.05 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1xf4 s THR 182 Cb -0.10 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1xf4 s THR 182 CO 0.01 0.51 -0.06 0.68 -0.69 0.00 0.00 174.62 175.07 1xf4 s VAL 183 N 0.42 0.50 0.31 3.82 -7.23 -0.22 -4.74 120.40 113.25 1xf4 s VAL 183 Ca -0.08 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1xf4 s VAL 183 Cb -0.15 -1.26 -0.13 0.00 0.56 0.00 0.00 36.38 35.40 1xf4 s VAL 183 CO 0.04 -0.75 1.36 -2.65 -0.31 0.00 0.00 175.10 172.79 1xf4 n PRO 184 N 0.50 2.17 -0.20 4.82 -0.02 -1.26 -0.92 135.00 140.09 1xf4 n PRO 184 Ca -0.16 0.77 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 1xf4 n PRO 184 Cb 0.59 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1xf4 n PRO 184 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xf4 h SER 185 N 3.29 0.50 -0.88 2.55 0.87 -0.89 -1.52 113.55 117.47 1xf4 h SER 185 Ca -0.46 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.31 1xf4 h SER 185 Cb 1.27 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.09 1xf4 h SER 185 CO 0.68 0.34 0.58 0.28 -0.53 0.00 0.00 176.83 178.18 1xf4 h SER 186 N 0.63 0.45 0.65 6.23 0.02 -1.90 -2.73 113.55 116.90 1xf4 h SER 186 Ca 0.26 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1xf4 h SER 186 Cb 0.12 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1xf4 h SER 186 CO -0.15 0.20 0.00 0.35 -1.14 0.00 0.00 176.83 176.09 1xf4 n THR 187 N -4.52 0.39 -4.51 -2.27 -2.24 -0.57 -4.71 114.28 95.85 1xf4 n THR 187 Ca 0.18 0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.86 1xf4 n THR 187 Cb 0.63 -0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 68.00 1xf4 n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1xf4 s TRP 188 N -2.85 1.08 -1.49 4.78 -0.00 -1.03 -0.38 118.94 119.05 1xf4 s TRP 188 Ca 0.15 -0.22 0.13 0.00 -0.00 0.00 0.00 56.10 56.16 1xf4 s TRP 188 Cb 0.15 -0.69 0.48 0.00 -0.00 0.00 0.00 33.47 33.41 1xf4 s TRP 188 CO 0.39 -0.01 1.36 -0.35 -0.00 0.00 0.00 176.95 178.34 1xf4 n PRO 189 N 2.69 2.66 -0.20 5.86 -0.04 -1.26 -4.91 135.00 139.80 1xf4 n PRO 189 Ca -0.14 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1xf4 n PRO 189 Cb 0.56 -1.60 0.11 0.00 -0.04 0.00 0.00 33.50 32.52 1xf4 n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xf4 h SER 190 N 2.85 0.08 -3.34 3.54 4.64 -1.84 -3.36 113.55 116.12 1xf4 h SER 190 Ca 0.00 0.10 -0.57 0.00 -0.47 0.00 0.00 61.79 60.85 1xf4 h SER 190 Cb 0.95 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 1xf4 h SER 190 CO 0.11 0.05 -0.02 -1.61 -0.87 0.00 0.00 176.83 174.49 1xf4 s GLU 191 N -6.10 4.38 0.42 4.77 2.02 0.49 -5.07 118.70 119.61 1xf4 s GLU 191 Ca -0.13 0.67 -0.24 0.00 0.02 0.00 0.00 54.97 55.30 1xf4 s GLU 191 Cb 0.17 -3.43 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 1xf4 s GLU 191 CO 0.74 0.15 1.11 0.95 0.02 0.00 0.00 175.26 178.23 1xf4 s THR 192 N 0.58 3.40 -0.14 3.63 -4.23 -1.26 -4.53 115.64 113.09 1xf4 s THR 192 Ca 0.32 1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1xf4 s THR 192 Cb -0.17 -3.57 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1xf4 s THR 192 CO 0.15 0.02 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.48 1xf4 s VAL 193 N -1.57 1.17 -0.08 2.29 1.01 -1.26 -4.99 120.40 116.98 1xf4 s VAL 193 Ca 0.59 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1xf4 s VAL 193 Cb -0.26 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1xf4 s VAL 193 CO 0.32 0.29 -0.21 -0.89 0.00 0.00 0.00 175.10 174.61 1xf4 s THR 194 N 1.63 2.39 -0.19 3.92 2.01 -1.26 -0.01 115.64 124.13 1xf4 s THR 194 Ca 0.03 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 1xf4 s THR 194 Cb -0.14 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1xf4 s THR 194 CO -0.08 0.56 0.35 0.00 -0.69 0.00 0.00 174.62 174.75 1xf4 s ASN 196 N 0.86 6.20 -0.17 0.00 -0.87 0.26 -2.46 114.94 118.75 1xf4 s ASN 196 Ca 0.17 -0.87 -0.13 0.00 -1.57 0.00 0.00 52.86 50.46 1xf4 s ASN 196 Cb -0.14 -2.24 -0.05 0.00 -0.02 0.00 0.00 41.25 38.81 1xf4 s ASN 196 CO 0.06 -0.69 0.28 -0.69 -2.57 0.00 0.00 177.10 173.49 1xf4 s VAL 197 N 2.20 5.31 0.05 1.60 1.01 -0.31 -1.53 120.40 128.74 1xf4 s VAL 197 Ca 0.12 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.68 1xf4 s VAL 197 Cb -0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1xf4 s VAL 197 CO 0.12 0.39 -0.19 0.00 0.00 0.00 0.00 175.10 175.41 1xf4 s ALA 198 N 0.52 2.57 -0.37 5.51 0.00 0.31 -0.32 121.76 129.98 1xf4 s ALA 198 Ca 0.15 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1xf4 s ALA 198 Cb -0.13 -0.69 0.15 0.00 0.00 0.00 0.00 23.12 22.45 1xf4 s ALA 198 CO 0.03 0.57 0.25 -1.58 0.00 0.00 0.00 175.76 175.03 1xf4 s HIS 199 N -0.94 0.85 0.48 0.00 2.46 -0.03 -1.57 115.29 116.54 1xf4 s HIS 199 Ca 0.15 -1.84 0.40 0.00 0.47 0.00 0.00 55.06 54.24 1xf4 s HIS 199 Cb -0.10 -0.94 2.05 0.00 -0.13 0.00 0.00 32.58 33.46 1xf4 s HIS 199 CO 0.06 -0.83 2.24 -1.35 -2.47 0.00 0.00 174.74 172.39 1xf4 h PRO 200 N 6.62 0.00 0.00 2.88 0.11 -1.79 -1.41 132.00 138.41 1xf4 h PRO 200 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1xf4 h PRO 200 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1xf4 h PRO 200 CO 0.30 0.01 -0.16 0.00 -0.21 0.00 0.00 178.00 177.94 1xf4 h ALA 201 N 1.99 1.32 -0.07 -0.75 0.00 -1.89 -3.05 119.26 116.81 1xf4 h ALA 201 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xf4 h ALA 201 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xf4 h ALA 201 CO 0.00 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 1xf4 n SER 202 N -3.74 1.90 -2.40 0.00 3.41 -0.76 -4.98 113.62 107.04 1xf4 n SER 202 Ca -0.02 -1.64 -0.15 0.00 -0.26 0.00 0.00 58.87 56.81 1xf4 n SER 202 Cb 0.27 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1xf4 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf4 n SER 203 N 0.02 -4.44 -4.81 4.04 7.64 -0.61 -4.93 113.62 110.53 1xf4 n SER 203 Ca 0.03 0.14 -0.36 0.00 1.01 0.00 0.00 58.87 59.70 1xf4 n SER 203 Cb 0.22 -3.75 -0.07 0.00 -1.01 0.00 0.00 64.21 59.60 1xf4 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf4 s THR 204 N -2.72 5.31 -0.11 0.44 2.01 -1.05 -4.99 115.64 114.53 1xf4 s THR 204 Ca 0.00 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1xf4 s THR 204 Cb 0.00 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1xf4 s THR 204 CO 0.00 0.57 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.88 1xf4 s LYS 205 N -0.66 1.57 0.08 4.92 1.02 -1.26 -0.85 119.74 124.56 1xf4 s LYS 205 Ca 0.13 -0.28 0.09 0.00 0.02 0.00 0.00 55.97 55.93 1xf4 s LYS 205 Cb -0.12 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1xf4 s LYS 205 CO 0.02 -0.25 -0.23 0.08 -0.92 0.00 0.00 175.35 174.05 1xf4 s VAL 206 N 1.65 2.43 -0.26 3.17 1.01 0.56 -5.00 120.40 123.96 1xf4 s VAL 206 Ca 0.04 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 1xf4 s VAL 206 Cb -0.13 -2.03 0.09 0.00 0.00 0.00 0.00 36.38 34.31 1xf4 s VAL 206 CO -0.08 0.23 0.10 -1.81 0.00 0.00 0.00 175.10 173.55 1xf4 s ASP 207 N -1.67 3.29 -0.23 3.32 -0.00 -1.26 -1.16 116.67 118.96 1xf4 s ASP 207 Ca 0.14 -1.15 -0.09 0.00 -0.00 0.00 0.00 52.55 51.45 1xf4 s ASP 207 Cb -0.10 -0.45 -0.04 0.00 -0.00 0.00 0.00 42.92 42.32 1xf4 s ASP 207 CO 0.05 -0.40 0.12 -0.54 -0.00 0.00 0.00 175.17 174.41 1xf4 s LYS 208 N 1.99 3.96 0.14 8.23 -0.14 -1.03 -4.96 119.74 127.93 1xf4 s LYS 208 Ca 0.06 -0.33 -0.25 0.00 -1.36 0.00 0.00 55.97 54.10 1xf4 s LYS 208 Cb -0.16 -3.43 -0.08 0.00 -1.68 0.00 0.00 37.83 32.48 1xf4 s LYS 208 CO -0.25 0.05 0.75 0.21 -0.76 0.00 0.00 175.35 175.35 1xf4 s LYS 209 N 1.04 4.52 -0.51 1.68 2.20 -1.26 -0.58 119.74 126.83 1xf4 s LYS 209 Ca 0.06 1.10 -0.23 0.00 -0.36 0.00 0.00 55.97 56.54 1xf4 s LYS 209 Cb -0.14 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1xf4 s LYS 209 CO 0.04 0.56 0.83 0.42 -0.36 0.00 0.00 175.35 176.84 1xf4 s ILE 210 N -1.05 4.56 -0.25 5.43 -1.09 0.98 -4.96 121.20 124.83 1xf4 s ILE 210 Ca 0.35 0.20 -0.12 0.00 -2.23 0.00 0.00 60.65 58.85 1xf4 s ILE 210 Cb -0.22 -4.42 -0.05 0.00 -1.58 0.00 0.00 42.46 36.19 1xf4 s ILE 210 CO 0.25 -0.93 0.25 -0.69 -1.23 0.00 0.00 174.94 172.59 1xf4 s VAL 211 N 3.50 5.29 0.13 2.92 1.01 -1.26 -4.72 120.40 127.27 1xf4 s VAL 211 Ca 0.28 0.35 -0.35 0.00 0.00 0.00 0.00 61.98 62.25 1xf4 s VAL 211 Cb -0.13 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 1xf4 s VAL 211 CO 0.19 0.27 1.30 -0.81 0.00 0.00 0.00 175.10 176.05 1xf4 n PRO 212 N 4.68 1.27 0.00 2.72 -0.04 -1.26 -4.83 135.00 137.55 1xf4 n PRO 212 Ca -0.12 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1xf4 n PRO 212 Cb 0.52 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1xf4 n PRO 212 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00