#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5o h SER 3 N 0.00 0.64 -0.61 3.42 0.87 -1.99 -1.36 113.55 114.52 3f5o h SER 3 Ca 0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3f5o h SER 3 Cb 0.00 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3f5o h SER 3 CO 0.00 0.43 0.27 -0.03 -0.53 0.00 0.00 176.83 176.97 3f5o h MET 4 N 0.77 0.89 -0.07 2.24 4.05 -1.99 0.77 114.93 121.59 3f5o h MET 4 Ca 0.28 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3f5o h MET 4 Cb 0.09 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 3f5o h MET 4 CO -0.14 0.74 0.04 1.15 0.23 0.00 0.00 176.91 178.93 3f5o h THR 5 N 0.84 1.11 -0.97 -0.77 2.02 -1.68 0.37 112.91 113.83 3f5o h THR 5 Ca 0.21 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3f5o h THR 5 Cb 0.15 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3f5o h THR 5 CO -0.02 0.09 0.62 1.56 0.37 0.00 0.00 175.52 178.14 3f5o h GLN 6 N 0.00 1.30 0.00 6.66 1.08 -1.09 -0.55 115.11 122.51 3f5o h GLN 6 Ca 0.03 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3f5o h GLN 6 Cb 0.12 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 3f5o h GLN 6 CO -0.00 0.88 -0.00 0.77 -0.95 0.00 0.00 178.83 179.53 3f5o h SER 7 N 1.33 -0.00 -0.75 1.46 0.02 -0.64 -2.45 113.55 112.52 3f5o h SER 7 Ca 0.35 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3f5o h SER 7 Cb -0.11 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 3f5o h SER 7 CO -0.07 0.35 0.50 0.25 -1.14 0.00 0.00 176.83 176.71 3f5o h LEU 8 N -0.35 0.86 -0.49 5.07 5.85 -0.77 -2.04 115.31 123.44 3f5o h LEU 8 Ca -0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3f5o h LEU 8 Cb 0.35 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3f5o h LEU 8 CO 0.00 0.63 0.20 -0.09 -0.34 0.00 0.00 178.44 178.83 3f5o h ARG 9 N 1.02 0.38 -0.55 1.25 2.43 -0.96 -0.02 114.38 117.92 3f5o h ARG 9 Ca 0.27 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3f5o h ARG 9 Cb -0.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3f5o h ARG 9 CO -0.06 0.25 0.08 0.93 -1.51 0.00 0.00 179.97 179.66 3f5o h GLU 10 N 0.39 0.91 -0.17 0.20 4.39 -0.91 -1.36 114.58 118.03 3f5o h GLU 10 Ca 0.23 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3f5o h GLU 10 Cb 0.22 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3f5o h GLU 10 CO -0.22 0.88 0.10 0.28 -1.16 0.00 0.00 179.01 178.90 3f5o h VAL 11 N 0.80 1.03 0.06 3.13 2.07 -0.97 -2.43 116.25 119.93 3f5o h VAL 11 Ca 0.17 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3f5o h VAL 11 Cb 0.42 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3f5o h VAL 11 CO 0.01 0.04 -0.16 0.40 0.02 0.00 0.00 177.57 177.88 3f5o h ILE 12 N 0.21 0.61 -0.62 4.57 2.04 -0.83 -0.60 117.51 122.90 3f5o h ILE 12 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.03 3f5o h ILE 12 Cb -0.01 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 3f5o h ILE 12 CO -0.02 0.00 0.18 0.11 0.00 0.00 0.00 178.15 178.41 3f5o h LYS 13 N -0.30 0.31 -0.21 2.37 6.56 -1.17 -0.90 116.57 123.24 3f5o h LYS 13 Ca 0.04 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.51 3f5o h LYS 13 Cb 0.34 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3f5o h LYS 13 CO -0.12 0.21 -0.26 0.00 -2.06 0.00 0.00 179.45 177.22 3f5o h ALA 14 N 1.47 0.31 0.00 3.86 0.00 -1.14 -2.98 119.26 120.78 3f5o h ALA 14 Ca 0.32 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3f5o h ALA 14 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3f5o h ALA 14 CO -0.37 0.29 -0.38 0.52 0.00 0.00 0.00 179.25 179.31 3f5o h MET 15 N 0.22 0.00 0.00 0.00 2.86 -0.83 -2.97 114.93 114.21 3f5o h MET 15 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3f5o h MET 15 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3f5o h MET 15 CO 0.06 0.38 -0.25 2.41 1.06 0.00 0.00 176.91 180.58 3f5o n THR 16 N -3.61 0.31 1.79 2.22 -1.04 -0.37 -3.34 114.28 110.25 3f5o n THR 16 Ca -0.01 -0.18 0.15 0.00 -2.04 0.00 0.00 64.05 61.98 3f5o n THR 16 Cb 0.50 -0.32 0.82 0.00 -1.82 0.00 0.00 70.33 69.51 3f5o n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3f5o n LYS 17 N -1.94 1.04 -1.23 -2.82 4.01 -1.12 -4.06 118.16 112.04 3f5o n LYS 17 Ca 0.05 -0.21 -0.31 0.00 -0.51 0.00 0.00 58.31 57.34 3f5o n LYS 17 Cb 0.40 -1.50 0.10 0.00 -0.51 0.00 0.00 35.03 33.52 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3f5o s ALA 18 N -2.10 2.11 -1.39 7.82 0.00 -1.21 -4.94 121.76 122.05 3f5o s ALA 18 Ca 0.42 0.22 0.30 0.00 0.00 0.00 0.00 51.96 52.91 3f5o s ALA 18 Cb 0.21 -3.27 1.45 0.00 0.00 0.00 0.00 23.12 21.52 3f5o s ALA 18 CO 0.38 -1.90 2.02 0.54 0.00 0.00 0.00 175.76 176.80 3f5o n ARG 19 N -3.61 0.39 -0.73 0.00 3.00 -1.26 -4.39 116.66 110.07 3f5o n ARG 19 Ca 0.09 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.85 57.78 3f5o n ARG 19 Cb 0.53 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.59 3f5o n ARG 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3f5o n ASN 20 N -1.29 -0.44 0.26 0.55 0.23 -1.26 -4.90 115.26 108.41 3f5o n ASN 20 Ca 0.13 -1.08 0.14 0.00 -0.53 0.00 0.00 54.58 53.24 3f5o n ASN 20 Cb 0.26 -0.45 0.67 0.00 -2.08 0.00 0.00 39.78 38.17 3f5o n ASN 20 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3f5o h PHE 21 N -1.57 0.00 -0.05 -2.53 3.57 -1.97 -2.50 116.94 111.89 3f5o h PHE 21 Ca -0.19 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.32 3f5o h PHE 21 Cb 0.54 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 3f5o h PHE 21 CO 0.00 0.10 0.21 0.93 -2.23 0.00 0.00 178.31 177.33 3f5o h GLU 22 N 0.00 0.00 -0.10 1.11 4.39 -1.90 -1.11 114.58 116.97 3f5o h GLU 22 Ca -0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 3f5o h GLU 22 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3f5o h GLU 22 CO 0.01 0.00 0.09 0.07 -1.16 0.00 0.00 179.01 178.03 3f5o h ARG 23 N 0.00 0.00 0.00 2.33 0.11 -1.59 -2.42 114.38 112.81 3f5o h ARG 23 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3f5o h ARG 23 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3f5o h ARG 23 CO -0.00 0.00 0.00 1.33 0.10 0.00 0.00 179.97 181.40 3f5o n VAL 24 N -4.06 0.98 -0.83 0.08 0.24 -0.42 -1.41 118.33 112.91 3f5o n VAL 24 Ca -0.01 0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.72 3f5o n VAL 24 Cb 0.20 -1.26 0.37 0.00 -1.47 0.00 0.00 33.84 31.69 3f5o n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3f5o n LEU 25 N -2.04 5.18 -0.12 1.34 4.77 -0.91 -4.65 117.00 120.57 3f5o n LEU 25 Ca 0.02 -2.79 0.19 0.00 -0.03 0.00 0.00 56.01 53.40 3f5o n LEU 25 Cb 0.17 -0.63 0.60 0.00 -2.33 0.00 0.00 43.42 41.23 3f5o n LEU 25 CO 0.15 0.69 1.21 1.23 -1.33 0.00 0.00 177.39 179.34 3f5o h GLY 26 N 3.70 0.39 0.62 -0.72 0.00 -1.41 -2.37 103.07 103.28 3f5o h GLY 26 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3f5o h GLY 26 CO 0.37 0.02 -0.09 0.28 0.00 0.00 0.00 176.54 177.13 3f5o n LYS 27 N -4.42 0.92 -2.34 4.80 4.76 -1.26 -4.90 118.16 115.72 3f5o n LYS 27 Ca 0.14 -0.35 -0.35 0.00 -2.87 0.00 0.00 58.31 54.89 3f5o n LYS 27 Cb 0.64 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.33 3f5o n LYS 27 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3f5o s ILE 28 N -2.32 3.36 0.07 -0.18 -4.36 -0.90 -4.69 121.20 112.18 3f5o s ILE 28 Ca 0.33 0.84 0.08 0.00 -0.26 0.00 0.00 60.65 61.65 3f5o s ILE 28 Cb 0.20 -3.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 3f5o s ILE 28 CO 0.44 -0.19 -0.21 0.42 0.24 0.00 0.00 174.94 175.64 3f5o s THR 29 N -1.85 2.58 -0.17 8.37 -4.23 0.05 -4.98 115.64 115.40 3f5o s THR 29 Ca 0.71 -1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 3f5o s THR 29 Cb -0.21 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 3f5o s THR 29 CO 0.25 0.27 0.35 -0.22 -0.54 0.00 0.00 174.62 174.73 3f5o s LEU 30 N -1.59 4.21 -0.20 4.79 2.96 -1.26 -0.87 118.68 126.72 3f5o s LEU 30 Ca 0.14 0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 54.41 3f5o s LEU 30 Cb -0.10 -2.45 -0.13 0.00 0.50 0.00 0.00 46.19 44.00 3f5o s LEU 30 CO 0.05 0.02 0.01 0.52 -1.32 0.00 0.00 176.35 175.63 3f5o n VAL 31 N 3.89 1.50 -3.65 1.68 0.31 0.70 -4.95 118.33 117.81 3f5o n VAL 31 Ca -0.10 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.07 3f5o n VAL 31 Cb 0.52 -2.12 -0.08 0.00 -0.91 0.00 0.00 33.84 31.25 3f5o n VAL 31 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3f5o s SER 32 N -6.62 -0.42 -0.06 4.52 1.04 -0.99 -5.00 113.70 106.17 3f5o s SER 32 Ca -0.27 0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3f5o s SER 32 Cb 0.06 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3f5o s SER 32 CO 0.48 -0.49 -0.17 0.00 0.98 0.00 0.00 173.24 174.04 3f5o s ALA 33 N -1.10 1.58 0.15 5.32 0.00 -1.26 -1.05 121.76 125.40 3f5o s ALA 33 Ca -0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 3f5o s ALA 33 Cb -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3f5o s ALA 33 CO 0.06 0.25 0.25 0.00 0.00 0.00 0.00 175.76 176.32 3f5o s ALA 34 N 0.20 0.07 -0.30 0.00 0.00 -0.27 -4.22 121.76 117.23 3f5o s ALA 34 Ca -0.08 -0.91 -0.37 0.00 0.00 0.00 0.00 51.96 50.60 3f5o s ALA 34 Cb -0.13 0.81 -0.13 0.00 0.00 0.00 0.00 23.12 23.67 3f5o s ALA 34 CO 0.03 -0.61 2.01 -2.30 0.00 0.00 0.00 175.76 174.90 3f5o n PRO 35 N -0.18 1.19 -0.96 0.00 -0.02 -1.26 -1.11 135.00 132.67 3f5o n PRO 35 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3f5o n PRO 35 Cb 0.63 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3f5o n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f5o n GLY 36 N 5.61 0.42 2.88 -1.23 0.00 -0.37 -4.97 105.19 107.53 3f5o n GLY 36 Ca 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 3f5o n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f5o s LYS 37 N -0.57 0.06 -0.04 1.61 2.20 -0.26 -0.29 119.74 122.45 3f5o s LYS 37 Ca 0.00 0.37 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 3f5o s LYS 37 Cb 0.00 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.12 3f5o s LYS 37 CO 0.00 -0.19 -0.08 0.08 -0.36 0.00 0.00 175.35 174.80 3f5o s VAL 38 N 1.34 0.75 -0.15 4.02 1.01 -0.06 -1.12 120.40 126.18 3f5o s VAL 38 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3f5o s VAL 38 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3f5o s VAL 38 CO -0.05 0.25 -0.20 -0.63 0.00 0.00 0.00 175.10 174.47 3f5o s ILE 39 N 0.51 2.21 0.34 2.22 1.01 -0.21 -0.82 121.20 126.45 3f5o s ILE 39 Ca -0.08 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.72 3f5o s ILE 39 Cb -0.12 -1.90 -0.07 0.00 0.01 0.00 0.00 42.46 40.38 3f5o s ILE 39 CO 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 174.94 175.45 3f5o s GLU 41 N -3.71 0.81 -0.19 0.00 2.02 -0.05 -0.54 118.70 117.04 3f5o s GLU 41 Ca 0.33 -1.26 -0.17 0.00 0.02 0.00 0.00 54.97 53.88 3f5o s GLU 41 Cb 0.05 -0.25 0.05 0.00 0.10 0.00 0.00 34.13 34.09 3f5o s GLU 41 CO 0.15 -0.00 0.50 1.41 0.02 0.00 0.00 175.26 177.35 3f5o s MET 42 N -3.52 0.58 -0.23 1.61 1.75 -0.61 -0.77 119.30 118.11 3f5o s MET 42 Ca 0.09 0.72 -0.20 0.00 -1.25 0.00 0.00 55.69 55.06 3f5o s MET 42 Cb 0.03 0.27 -0.02 0.00 2.84 0.00 0.00 34.83 37.94 3f5o s MET 42 CO -0.04 -0.08 0.60 0.21 -0.65 0.00 0.00 175.02 175.06 3f5o s LYS 43 N 0.37 4.14 -0.22 4.11 2.20 -1.26 -0.68 119.74 128.41 3f5o s LYS 43 Ca -0.01 0.51 -0.28 0.00 -0.36 0.00 0.00 55.97 55.83 3f5o s LYS 43 Cb -0.04 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3f5o s LYS 43 CO -0.01 -0.32 2.12 0.08 -0.36 0.00 0.00 175.35 176.87 3f5o s VAL 44 N 2.20 3.10 0.43 4.02 1.01 0.04 -4.93 120.40 126.26 3f5o s VAL 44 Ca 0.26 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3f5o s VAL 44 Cb -0.16 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3f5o s VAL 44 CO 0.09 -0.08 0.32 -1.61 0.00 0.00 0.00 175.10 173.83 3f5o s GLU 45 N 6.08 2.41 0.26 2.72 2.02 -1.26 0.06 118.70 130.99 3f5o s GLU 45 Ca 0.96 -1.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 3f5o s GLU 45 Cb -0.32 -2.22 0.54 0.00 0.10 0.00 0.00 34.13 32.23 3f5o s GLU 45 CO 0.35 -0.21 1.71 1.49 0.02 0.00 0.00 175.26 178.62 3f5o h GLU 46 N 1.12 0.39 0.00 1.61 4.81 -1.98 0.34 114.58 120.87 3f5o h GLU 46 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3f5o h GLU 46 Cb 1.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3f5o h GLU 46 CO 0.61 0.26 0.04 -0.85 -0.73 0.00 0.00 179.01 178.35 3f5o n GLU 47 N -5.04 0.12 0.00 1.92 0.28 -1.26 -1.66 120.64 115.00 3f5o n GLU 47 Ca 0.17 0.62 0.11 0.00 -0.16 0.00 0.00 57.16 57.90 3f5o n GLU 47 Cb 0.50 -1.96 0.05 0.00 1.43 0.00 0.00 31.44 31.46 3f5o n GLU 47 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3f5o n HIS 48 N -2.19 0.00 -3.61 -1.84 8.25 0.11 -5.02 115.22 110.92 3f5o n HIS 48 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 3f5o n HIS 48 Cb 0.07 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 3f5o n HIS 48 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3f5o s THR 49 N -2.11 3.97 0.00 1.59 -4.23 -0.67 -1.40 115.64 112.80 3f5o s THR 49 Ca 0.23 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3f5o s THR 49 Cb 0.18 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3f5o s THR 49 CO 0.40 -0.17 0.00 -0.46 -0.54 0.00 0.00 174.62 173.84 3f5o n ASN 50 N -1.54 0.00 0.28 3.99 0.23 -0.22 -4.62 115.26 113.39 3f5o n ASN 50 Ca -0.01 -1.00 0.18 0.00 -0.53 0.00 0.00 54.58 53.22 3f5o n ASN 50 Cb 0.59 -0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.11 3f5o n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f5o h ALA 51 N 0.13 1.00 -0.62 -2.53 0.00 -2.00 -2.40 119.26 112.83 3f5o h ALA 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f5o h ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f5o h ALA 51 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3f5o n ILE 52 N -2.98 1.25 -0.92 0.00 -5.35 -1.26 -4.98 119.36 105.12 3f5o n ILE 52 Ca -0.00 -1.08 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 3f5o n ILE 52 Cb 0.22 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 3f5o n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f5o n GLY 53 N 1.22 0.49 3.77 3.28 0.00 -0.90 -5.04 105.19 108.01 3f5o n GLY 53 Ca 0.22 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3f5o n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f5o s THR 54 N -2.00 2.96 0.12 2.61 -4.23 -1.26 -2.64 115.64 111.19 3f5o s THR 54 Ca 0.00 -1.61 -0.33 0.00 -1.18 0.00 0.00 61.69 58.57 3f5o s THR 54 Cb 0.00 -3.01 -0.13 0.00 1.34 0.00 0.00 72.50 70.70 3f5o s THR 54 CO 0.00 -0.14 1.69 -0.11 -0.54 0.00 0.00 174.62 175.52 3f5o n LEU 55 N -1.24 3.40 -4.73 4.79 7.94 0.63 -1.05 117.00 126.74 3f5o n LEU 55 Ca -0.02 1.05 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 3f5o n LEU 55 Cb 0.62 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 3f5o n LEU 55 CO 0.43 -0.12 1.03 -2.28 -1.11 0.00 0.00 177.39 175.34 3f5o s HIS 56 N 1.77 3.23 0.54 1.96 5.65 -0.49 -4.72 115.29 123.22 3f5o s HIS 56 Ca 0.81 1.07 0.22 0.00 0.25 0.00 0.00 55.06 57.42 3f5o s HIS 56 Cb -0.63 -3.66 1.40 0.00 -1.18 0.00 0.00 32.58 28.51 3f5o s HIS 56 CO 0.40 -2.20 2.08 0.78 -0.65 0.00 0.00 174.74 175.14 3f5o h GLY 57 N 6.03 0.00 1.87 1.59 0.00 -1.91 -0.93 103.07 109.72 3f5o h GLY 57 Ca -0.44 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3f5o h GLY 57 CO 0.82 0.00 -0.66 -1.33 0.00 0.00 0.00 176.54 175.37 3f5o h GLY 58 N 0.00 0.14 1.10 4.60 0.00 -1.98 -1.64 103.07 105.29 3f5o h GLY 58 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 3f5o h GLY 58 CO -0.00 0.17 -0.54 -2.00 0.00 0.00 0.00 176.54 174.17 3f5o h LEU 59 N 0.09 0.92 -0.58 3.11 5.85 -1.57 -1.02 115.31 122.10 3f5o h LEU 59 Ca -0.01 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.26 3f5o h LEU 59 Cb 1.18 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 3f5o h LEU 59 CO 0.09 1.30 0.17 0.74 -0.34 0.00 0.00 178.44 180.40 3f5o h THR 60 N 0.58 0.72 -0.74 1.05 2.02 -1.19 0.25 112.91 115.59 3f5o h THR 60 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3f5o h THR 60 Cb 1.15 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3f5o h THR 60 CO 0.12 0.06 0.33 0.00 0.37 0.00 0.00 175.52 176.39 3f5o h ALA 61 N 1.43 0.95 -0.70 6.16 0.00 -1.15 -0.18 119.26 125.78 3f5o h ALA 61 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3f5o h ALA 61 Cb 0.40 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3f5o h ALA 61 CO -0.34 0.55 0.24 1.15 0.00 0.00 0.00 179.25 180.84 3f5o h THR 62 N 1.05 1.25 -0.12 0.00 2.02 -0.45 -0.01 112.91 116.65 3f5o h THR 62 Ca 0.25 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3f5o h THR 62 Cb 0.16 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3f5o h THR 62 CO -0.03 0.34 0.08 -0.07 0.37 0.00 0.00 175.52 176.21 3f5o h LEU 63 N 1.03 0.13 -0.28 2.58 3.38 -0.12 0.16 115.31 122.18 3f5o h LEU 63 Ca 0.23 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3f5o h LEU 63 Cb 0.28 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3f5o h LEU 63 CO -0.01 0.10 -0.04 0.58 0.09 0.00 0.00 178.44 179.15 3f5o h VAL 64 N 0.16 0.74 0.32 1.22 2.07 -0.69 0.24 116.25 120.32 3f5o h VAL 64 Ca 0.04 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3f5o h VAL 64 Cb -0.01 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3f5o h VAL 64 CO -0.01 0.01 -0.16 -0.78 0.02 0.00 0.00 177.57 176.65 3f5o h ASP 65 N 0.03 -0.37 -0.24 0.57 1.82 -0.79 -2.45 116.42 115.00 3f5o h ASP 65 Ca 0.14 -0.07 -0.17 0.00 -0.39 0.00 0.00 57.03 56.54 3f5o h ASP 65 Cb 0.20 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.31 3f5o h ASP 65 CO -0.27 -0.16 -0.54 0.78 -1.61 0.00 0.00 179.24 177.44 3f5o h ASN 66 N -0.56 0.88 0.05 2.28 -0.26 -0.55 -2.17 115.58 115.24 3f5o h ASN 66 Ca -0.04 -0.56 -0.18 0.00 -0.56 0.00 0.00 56.30 54.96 3f5o h ASN 66 Cb 0.41 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 3f5o h ASN 66 CO 0.07 1.28 -0.63 0.40 -1.06 0.00 0.00 177.43 177.49 3f5o h ILE 67 N 0.52 1.33 -0.43 2.81 1.08 -1.01 -0.88 117.51 120.93 3f5o h ILE 67 Ca -0.00 -1.91 -0.07 0.00 -0.39 0.00 0.00 64.86 62.49 3f5o h ILE 67 Cb 1.15 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 3f5o h ILE 67 CO 0.12 0.59 -0.03 0.77 -0.69 0.00 0.00 178.15 178.91 3f5o h SER 68 N 0.42 0.69 -0.88 1.72 4.64 -1.47 -1.88 113.55 116.79 3f5o h SER 68 Ca -0.01 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 3f5o h SER 68 Cb 1.19 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 3f5o h SER 68 CO 0.12 0.78 0.46 0.74 -0.87 0.00 0.00 176.83 178.05 3f5o h THR 69 N 0.67 1.26 -0.51 2.95 2.02 -0.93 -1.72 112.91 116.66 3f5o h THR 69 Ca 0.13 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.67 3f5o h THR 69 Cb 0.45 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 3f5o h THR 69 CO 0.02 0.30 0.26 0.24 0.37 0.00 0.00 175.52 176.71 3f5o h MET 70 N 1.25 0.49 -0.93 6.66 2.07 -0.78 -0.46 114.93 123.23 3f5o h MET 70 Ca 0.31 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.98 3f5o h MET 70 Cb 0.07 -0.11 -0.06 0.00 -1.87 0.00 0.00 31.60 29.62 3f5o h MET 70 CO -0.04 0.33 0.60 0.00 1.07 0.00 0.00 176.91 178.86 3f5o h ALA 71 N 1.27 1.52 -0.40 6.32 0.00 -0.88 -1.95 119.26 125.14 3f5o h ALA 71 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3f5o h ALA 71 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3f5o h ALA 71 CO -0.15 0.32 -0.18 -0.07 0.00 0.00 0.00 179.25 179.18 3f5o h LEU 72 N 1.03 0.76 -1.95 0.00 3.38 -0.44 -2.31 115.31 115.78 3f5o h LEU 72 Ca 0.41 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3f5o h LEU 72 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3f5o h LEU 72 CO -0.17 0.94 0.07 -0.07 0.09 0.00 0.00 178.44 179.30 3f5o h LEU 73 N 0.68 0.06 -3.21 1.67 3.38 -0.38 -2.92 115.31 114.58 3f5o h LEU 73 Ca 0.10 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 3f5o h LEU 73 Cb 0.67 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 3f5o h LEU 73 CO 0.05 0.04 0.37 0.00 0.09 0.00 0.00 178.44 178.99 3f5o s THR 75 N -1.94 2.29 0.17 0.00 -4.23 -1.10 -1.24 115.64 109.59 3f5o s THR 75 Ca 0.29 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 3f5o s THR 75 Cb 0.24 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 71.38 3f5o s THR 75 CO 0.02 -0.15 1.73 -0.33 -0.54 0.00 0.00 174.62 175.36 3f5o h GLU 76 N 1.88 0.25 -0.26 3.99 4.39 -1.89 -2.11 114.58 120.83 3f5o h GLU 76 Ca -0.43 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 3f5o h GLU 76 Cb 1.25 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3f5o h GLU 76 CO 0.72 0.17 0.16 -0.09 -1.16 0.00 0.00 179.01 178.81 3f5o h ARG 77 N 0.26 0.36 -0.19 2.33 9.65 -1.94 -3.47 114.38 121.38 3f5o h ARG 77 Ca 0.22 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.99 3f5o h ARG 77 Cb 0.26 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 3f5o h ARG 77 CO -0.26 0.27 -0.07 0.41 2.80 0.00 0.00 179.97 183.11 3f5o n GLY 78 N -1.08 0.65 3.67 2.80 0.00 -0.80 -5.00 105.19 105.44 3f5o n GLY 78 Ca -0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3f5o n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5o s ALA 79 N -1.96 3.51 -0.04 4.61 0.00 -1.26 -4.58 121.76 122.04 3f5o s ALA 79 Ca 0.00 -0.24 0.20 0.00 0.00 0.00 0.00 51.96 51.92 3f5o s ALA 79 Cb 0.00 -2.90 0.48 0.00 0.00 0.00 0.00 23.12 20.70 3f5o s ALA 79 CO 0.00 -0.41 1.64 -1.00 0.00 0.00 0.00 175.76 175.99 3f5o h PRO 80 N 7.29 0.00 0.00 0.00 0.13 -1.88 -3.41 132.00 134.13 3f5o h PRO 80 Ca -0.34 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.99 3f5o h PRO 80 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3f5o h PRO 80 CO 0.76 0.33 -0.27 0.41 -0.23 0.00 0.00 178.00 179.00 3f5o n GLY 81 N 0.71 -1.80 3.28 1.56 0.00 -1.26 -4.90 105.19 102.78 3f5o n GLY 81 Ca 0.01 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 3f5o n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f5o s VAL 82 N -1.36 1.87 0.29 1.61 -7.23 -0.13 -4.92 120.40 110.53 3f5o s VAL 82 Ca 0.00 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3f5o s VAL 82 Cb 0.00 -1.59 -0.11 0.00 0.56 0.00 0.00 36.38 35.24 3f5o s VAL 82 CO 0.00 0.36 1.55 -0.44 -0.31 0.00 0.00 175.10 176.26 3f5o s SER 83 N -0.98 6.44 -0.09 4.85 0.01 -1.26 -0.66 113.70 122.00 3f5o s SER 83 Ca 0.09 2.89 -0.06 0.00 1.31 0.00 0.00 55.95 60.18 3f5o s SER 83 Cb -0.09 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3f5o s SER 83 CO 0.01 -0.86 -0.14 0.52 0.41 0.00 0.00 173.24 173.17 3f5o n VAL 84 N 2.14 0.74 -3.82 3.43 0.31 0.26 -4.83 118.33 116.56 3f5o n VAL 84 Ca 0.07 -0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3f5o n VAL 84 Cb 0.38 -1.69 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 3f5o n VAL 84 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3f5o s ASP 85 N -6.00 0.02 -0.01 4.52 1.01 -1.07 -5.01 116.67 110.13 3f5o s ASP 85 Ca -0.15 0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.16 3f5o s ASP 85 Cb 0.05 -0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.98 3f5o s ASP 85 CO 0.19 -0.06 -0.02 -0.32 0.21 0.00 0.00 175.17 175.17 3f5o s MET 86 N 0.47 0.24 0.10 8.23 -2.45 -1.26 -0.84 119.30 123.80 3f5o s MET 86 Ca -0.04 -0.06 0.06 0.00 -1.25 0.00 0.00 55.69 54.40 3f5o s MET 86 Cb -0.06 -0.27 -0.03 0.00 1.25 0.00 0.00 34.83 35.72 3f5o s MET 86 CO -0.01 0.02 -0.15 0.54 1.05 0.00 0.00 175.02 176.47 3f5o s ASN 87 N 0.16 1.96 -0.01 1.11 2.20 -0.35 -4.99 114.94 115.02 3f5o s ASN 87 Ca -0.01 -0.73 0.00 0.00 -0.94 0.00 0.00 52.86 51.18 3f5o s ASN 87 Cb -0.04 -0.07 0.01 0.00 -2.00 0.00 0.00 41.25 39.15 3f5o s ASN 87 CO -0.00 -0.09 0.00 -0.63 -2.94 0.00 0.00 177.10 173.44 3f5o s ILE 88 N -1.71 0.05 -0.11 0.54 1.09 -1.26 -1.37 121.20 118.44 3f5o s ILE 88 Ca 0.05 0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.68 3f5o s ILE 88 Cb -0.07 -0.11 -0.00 0.00 -1.06 0.00 0.00 42.46 41.21 3f5o s ILE 88 CO 0.03 0.06 -0.22 -0.89 -0.10 0.00 0.00 174.94 173.83 3f5o s THR 89 N 0.47 2.27 -0.36 2.92 2.01 0.10 -4.99 115.64 118.07 3f5o s THR 89 Ca -0.04 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.95 3f5o s THR 89 Cb -0.06 -1.88 0.05 0.00 0.01 0.00 0.00 72.50 70.62 3f5o s THR 89 CO -0.01 0.55 0.13 -0.31 -0.69 0.00 0.00 174.62 174.29 3f5o s TYR 90 N 0.36 3.30 -0.21 4.92 1.51 -1.26 -1.38 117.35 124.59 3f5o s TYR 90 Ca -0.17 -1.59 0.06 0.00 -1.01 0.00 0.00 57.07 54.36 3f5o s TYR 90 Cb -0.17 -2.47 -0.21 0.00 -0.11 0.00 0.00 41.96 39.00 3f5o s TYR 90 CO 0.08 -0.78 -0.01 -1.33 -1.11 0.00 0.00 175.55 172.40 3f5o n MET 91 N 4.79 0.67 -3.78 -0.62 2.81 -0.25 -5.01 117.12 115.73 3f5o n MET 91 Ca -0.11 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 3f5o n MET 91 Cb 0.44 -1.56 -0.10 0.00 -0.71 0.00 0.00 33.22 31.29 3f5o n MET 91 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3f5o s SER 92 N -6.28 -0.21 0.53 7.83 1.04 -0.91 -5.01 113.70 110.68 3f5o s SER 92 Ca -0.25 0.25 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 3f5o s SER 92 Cb 0.08 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 3f5o s SER 92 CO 0.70 -0.31 1.13 -2.16 0.98 0.00 0.00 173.24 173.59 3f5o s PRO 93 N -0.77 3.43 -0.23 4.02 0.04 -1.26 -4.62 135.00 135.61 3f5o s PRO 93 Ca -0.09 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 3f5o s PRO 93 Cb -0.04 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3f5o s PRO 93 CO 0.02 -0.79 0.04 0.00 0.04 0.00 0.00 177.00 176.31 3f5o s ALA 94 N -1.73 3.10 0.40 8.56 0.00 -1.26 -5.01 121.76 125.82 3f5o s ALA 94 Ca 0.71 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 3f5o s ALA 94 Cb -0.25 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 3f5o s ALA 94 CO 0.28 -0.35 0.69 0.15 0.00 0.00 0.00 175.76 176.53 3f5o s LYS 95 N 1.35 3.60 0.15 0.00 -0.14 -1.26 -0.27 119.74 123.17 3f5o s LYS 95 Ca 0.05 0.13 -0.34 0.00 -1.36 0.00 0.00 55.97 54.44 3f5o s LYS 95 Cb -0.15 -2.49 -0.16 0.00 -1.68 0.00 0.00 37.83 33.36 3f5o s LYS 95 CO 0.02 -0.01 1.23 -0.11 -0.76 0.00 0.00 175.35 175.72 3f5o n LEU 96 N -1.67 1.66 0.00 3.17 7.94 -1.08 -1.54 117.00 125.48 3f5o n LEU 96 Ca -0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3f5o n LEU 96 Cb 0.55 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.28 3f5o n LEU 96 CO 0.50 -1.17 0.00 0.61 -1.11 0.00 0.00 177.39 176.22 3f5o n GLY 97 N 2.20 1.77 3.73 -3.96 0.00 0.11 -5.01 105.19 104.03 3f5o n GLY 97 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3f5o n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f5o s GLU 98 N -0.29 4.57 -0.07 1.61 2.12 -0.59 -4.69 118.70 121.36 3f5o s GLU 98 Ca 0.00 1.71 -0.23 0.00 0.36 0.00 0.00 54.97 56.82 3f5o s GLU 98 Cb 0.00 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 3f5o s GLU 98 CO 0.00 0.03 0.67 -0.51 -0.54 0.00 0.00 175.26 174.90 3f5o s ASP 99 N 0.08 6.95 0.19 -1.70 1.01 -1.26 -0.78 116.67 121.16 3f5o s ASP 99 Ca 0.51 1.14 0.11 0.00 0.71 0.00 0.00 52.55 55.02 3f5o s ASP 99 Cb -0.29 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3f5o s ASP 99 CO 0.34 -0.08 -0.23 0.27 0.21 0.00 0.00 175.17 175.68 3f5o s ILE 100 N 0.69 2.21 -0.07 0.77 -4.36 0.15 -1.25 121.20 119.34 3f5o s ILE 100 Ca 0.36 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.78 3f5o s ILE 100 Cb -0.17 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3f5o s ILE 100 CO 0.17 -0.16 -0.16 -0.69 0.24 0.00 0.00 174.94 174.34 3f5o s VAL 101 N -1.75 2.88 -0.23 8.37 1.01 0.37 -1.57 120.40 129.47 3f5o s VAL 101 Ca 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3f5o s VAL 101 Cb -0.07 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.21 3f5o s VAL 101 CO 0.09 0.57 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 3f5o s ILE 102 N -0.32 2.21 -0.23 2.22 1.09 0.30 -0.89 121.20 125.58 3f5o s ILE 102 Ca 0.02 -1.35 -0.01 0.00 -1.10 0.00 0.00 60.65 58.22 3f5o s ILE 102 Cb -0.13 -2.17 0.03 0.00 -1.06 0.00 0.00 42.46 39.13 3f5o s ILE 102 CO 0.03 0.18 -0.10 -0.89 -0.10 0.00 0.00 174.94 174.05 3f5o s THR 103 N 1.19 2.62 -0.09 2.92 2.01 -0.35 -0.69 115.64 123.25 3f5o s THR 103 Ca -0.03 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 60.92 3f5o s THR 103 Cb -0.17 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 3f5o s THR 103 CO -0.08 0.26 -0.11 0.00 -0.69 0.00 0.00 174.62 174.00 3f5o s ALA 104 N 1.29 2.77 0.04 7.40 0.00 -0.00 -1.24 121.76 132.02 3f5o s ALA 104 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3f5o s ALA 104 Cb -0.16 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3f5o s ALA 104 CO -0.06 0.44 0.00 -3.38 0.00 0.00 0.00 175.76 172.76 3f5o s HIS 105 N -0.33 0.37 -0.14 0.00 -3.43 -0.10 -0.88 115.29 110.77 3f5o s HIS 105 Ca 0.04 -0.80 -0.25 0.00 -0.80 0.00 0.00 55.06 53.25 3f5o s HIS 105 Cb -0.13 -0.28 -0.02 0.00 -1.43 0.00 0.00 32.58 30.73 3f5o s HIS 105 CO 0.02 -0.34 0.80 0.08 -2.00 0.00 0.00 174.74 173.30 3f5o s VAL 106 N -3.03 4.93 -0.05 -5.38 1.01 0.61 -1.05 120.40 117.43 3f5o s VAL 106 Ca -0.01 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 3f5o s VAL 106 Cb 0.01 -4.11 -0.31 0.00 0.00 0.00 0.00 36.38 31.98 3f5o s VAL 106 CO -0.07 0.09 0.66 -0.07 0.00 0.00 0.00 175.10 175.71 3f5o h LEU 107 N 7.89 0.61 -7.00 3.92 3.38 -0.83 -3.48 115.31 119.80 3f5o h LEU 107 Ca -0.33 -0.94 0.04 0.00 0.09 0.00 0.00 57.88 56.75 3f5o h LEU 107 Cb 1.15 -0.20 -0.24 0.00 0.09 0.00 0.00 40.66 41.46 3f5o h LEU 107 CO 0.81 1.78 0.39 -0.75 0.09 0.00 0.00 178.44 180.77 3f5o s LYS 108 N -2.57 0.60 0.06 1.13 2.20 -1.15 -5.01 119.74 114.99 3f5o s LYS 108 Ca -0.16 0.59 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3f5o s LYS 108 Cb 0.05 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 3f5o s LYS 108 CO 0.85 -0.10 -0.11 1.14 -0.36 0.00 0.00 175.35 176.78 3f5o s GLN 109 N 0.01 0.66 0.00 4.03 -2.07 -1.26 -0.79 119.66 120.23 3f5o s GLN 109 Ca 0.01 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.70 3f5o s GLN 109 Cb -0.04 -0.52 0.00 0.00 -1.09 0.00 0.00 33.01 31.36 3f5o s GLN 109 CO -0.03 0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 3f5o n GLY 110 N 1.37 5.99 0.25 2.60 0.00 0.42 -5.01 105.19 110.81 3f5o n GLY 110 Ca -0.22 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 3f5o n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f5o h LYS 111 N 0.00 0.83 0.00 1.61 1.57 -2.01 -3.38 116.57 115.19 3f5o h LYS 111 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3f5o h LYS 111 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3f5o h LYS 111 CO 0.00 0.89 -0.05 0.25 -0.57 0.00 0.00 179.45 179.97 3f5o n THR 112 N -4.35 0.00 -4.77 -0.16 -2.24 -1.26 -4.79 114.28 96.72 3f5o n THR 112 Ca 0.00 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 3f5o n THR 112 Cb 0.32 0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 69.34 3f5o n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3f5o s LEU 113 N -1.33 2.00 0.03 3.22 1.43 -1.26 0.08 118.68 122.85 3f5o s LEU 113 Ca 0.00 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3f5o s LEU 113 Cb 0.00 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 3f5o s LEU 113 CO 0.00 0.19 -0.20 0.00 0.23 0.00 0.00 176.35 176.57 3f5o s ALA 114 N -0.28 1.65 -0.04 4.21 0.00 0.16 -0.44 121.76 127.02 3f5o s ALA 114 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3f5o s ALA 114 Cb -0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3f5o s ALA 114 CO -0.00 0.37 -0.17 -0.06 0.00 0.00 0.00 175.76 175.90 3f5o s PHE 115 N -0.73 1.70 -0.00 0.00 0.40 0.03 -0.71 117.98 118.66 3f5o s PHE 115 Ca 0.07 -0.48 -0.07 0.00 -0.60 0.00 0.00 56.93 55.85 3f5o s PHE 115 Cb -0.08 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.30 3f5o s PHE 115 CO 0.01 -0.16 0.13 0.99 0.70 0.00 0.00 175.22 176.90 3f5o s THR 116 N 0.01 0.07 0.06 0.64 2.01 -0.48 -0.08 115.64 117.87 3f5o s THR 116 Ca -0.03 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.41 3f5o s THR 116 Cb -0.11 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3f5o s THR 116 CO 0.02 -0.34 -0.15 -0.55 -0.69 0.00 0.00 174.62 172.91 3f5o s SER 117 N -1.21 1.76 -0.02 3.53 0.15 -0.22 -1.31 113.70 116.39 3f5o s SER 117 Ca -0.13 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 55.96 3f5o s SER 117 Cb -0.07 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 3f5o s SER 117 CO 0.01 -0.02 0.01 -0.69 1.20 0.00 0.00 173.24 173.75 3f5o s VAL 118 N -1.10 0.05 -0.09 4.45 1.01 -0.09 -0.92 120.40 123.70 3f5o s VAL 118 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3f5o s VAL 118 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 3f5o s VAL 118 CO 0.02 0.09 -0.12 -1.81 0.00 0.00 0.00 175.10 173.28 3f5o s ASP 119 N 0.74 4.20 -0.11 3.32 1.11 -0.37 -0.93 116.67 124.62 3f5o s ASP 119 Ca -0.07 -0.21 -0.01 0.00 0.18 0.00 0.00 52.55 52.44 3f5o s ASP 119 Cb -0.10 -1.29 -0.02 0.00 1.07 0.00 0.00 42.92 42.58 3f5o s ASP 119 CO -0.02 0.26 -0.08 -0.76 1.18 0.00 0.00 175.17 175.75 3f5o s LEU 120 N -0.21 3.04 0.01 1.23 1.02 0.23 -1.21 118.68 122.79 3f5o s LEU 120 Ca 0.01 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.01 3f5o s LEU 120 Cb -0.13 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 3f5o s LEU 120 CO 0.03 0.24 -0.01 -0.89 0.02 0.00 0.00 176.35 175.74 3f5o s THR 121 N -0.09 0.07 -0.02 5.49 2.01 -0.07 0.61 115.64 123.64 3f5o s THR 121 Ca 0.00 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 3f5o s THR 121 Cb -0.13 -0.12 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 3f5o s THR 121 CO 0.03 -0.15 1.52 0.21 -0.69 0.00 0.00 174.62 175.54 3f5o s ASN 122 N -0.47 6.75 0.21 3.53 3.84 0.12 -0.48 114.94 128.44 3f5o s ASN 122 Ca -0.05 2.19 -0.09 0.00 0.21 0.00 0.00 52.86 55.12 3f5o s ASN 122 Cb -0.03 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.36 3f5o s ASN 122 CO -0.00 -0.82 1.81 0.50 -2.79 0.00 0.00 177.10 175.80 3f5o h LYS 123 N 8.52 0.69 -0.15 0.43 3.64 -1.49 0.27 116.57 128.49 3f5o h LYS 123 Ca -0.38 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 58.75 3f5o h LYS 123 Cb 1.18 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3f5o h LYS 123 CO 0.93 0.45 -0.74 0.00 -2.27 0.00 0.00 179.45 177.82 3f5o h ALA 124 N 1.34 0.41 0.00 5.00 0.00 -1.91 -3.32 119.26 120.78 3f5o h ALA 124 Ca 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3f5o h ALA 124 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3f5o h ALA 124 CO -0.18 0.70 -1.14 0.25 0.00 0.00 0.00 179.25 178.89 3f5o n THR 125 N -3.92 0.00 -0.50 0.00 -2.24 -1.19 -5.00 114.28 101.44 3f5o n THR 125 Ca -0.06 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3f5o n THR 125 Cb 0.72 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 3f5o n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5o n GLY 126 N 1.46 1.31 3.75 3.38 0.00 0.95 -4.99 105.19 111.04 3f5o n GLY 126 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3f5o n GLY 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f5o s LYS 127 N -0.17 4.33 0.14 1.61 2.47 -1.25 -4.54 119.74 122.34 3f5o s LYS 127 Ca 0.00 2.19 -0.31 0.00 -1.56 0.00 0.00 55.97 56.29 3f5o s LYS 127 Cb 0.00 -3.13 -0.10 0.00 -1.46 0.00 0.00 37.83 33.15 3f5o s LYS 127 CO 0.00 -0.30 1.55 -1.17 0.16 0.00 0.00 175.35 175.60 3f5o s LEU 128 N -0.67 4.37 -0.22 5.43 2.96 -1.26 -0.70 118.68 128.59 3f5o s LEU 128 Ca 0.56 2.56 -0.19 0.00 -0.22 0.00 0.00 54.13 56.84 3f5o s LEU 128 Cb -0.39 -3.59 -0.18 0.00 0.50 0.00 0.00 46.19 42.53 3f5o s LEU 128 CO 0.44 -0.81 0.10 -0.38 -1.32 0.00 0.00 176.35 174.38 3f5o n ILE 129 N 4.07 1.55 -3.45 6.68 5.41 0.20 -3.91 119.36 129.91 3f5o n ILE 129 Ca 0.14 -0.15 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 3f5o n ILE 129 Cb 0.39 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.32 3f5o n ILE 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3f5o s ALA 130 N -2.41 -1.65 -0.01 -1.39 0.00 -1.02 -1.10 121.76 114.19 3f5o s ALA 130 Ca -0.31 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3f5o s ALA 130 Cb 0.08 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 3f5o s ALA 130 CO 0.58 -0.68 -0.04 -1.14 0.00 0.00 0.00 175.76 174.48 3f5o s GLN 131 N -3.19 0.36 0.08 0.00 0.74 -0.48 -0.60 119.66 116.58 3f5o s GLN 131 Ca -0.01 -0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.28 3f5o s GLN 131 Cb -0.01 -0.36 -0.03 0.00 1.10 0.00 0.00 33.01 33.71 3f5o s GLN 131 CO -0.08 0.08 -0.08 0.20 -0.55 0.00 0.00 175.29 174.85 3f5o s GLY 132 N -0.01 0.72 0.08 2.59 0.00 -0.11 0.00 107.32 110.59 3f5o s GLY 132 Ca 0.01 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.70 3f5o s GLY 132 CO -0.00 -1.18 -0.19 -1.60 0.00 0.00 0.00 173.10 170.12 3f5o s ARG 133 N -2.72 1.12 -0.19 2.90 3.52 -0.47 -0.91 118.95 122.20 3f5o s ARG 133 Ca 0.02 -1.06 -0.05 0.00 -0.13 0.00 0.00 55.73 54.52 3f5o s ARG 133 Cb -0.03 -1.31 0.09 0.00 -1.56 0.00 0.00 34.95 32.15 3f5o s ARG 133 CO -0.01 0.31 0.32 -1.58 -0.81 0.00 0.00 175.30 173.52 3f5o s HIS 134 N -1.08 -0.58 -0.18 5.12 5.65 -0.43 -1.21 115.29 122.58 3f5o s HIS 134 Ca 0.05 0.91 -0.07 0.00 0.25 0.00 0.00 55.06 56.21 3f5o s HIS 134 Cb -0.10 -0.01 -0.04 0.00 -1.18 0.00 0.00 32.58 31.25 3f5o s HIS 134 CO 0.03 -0.52 0.04 0.99 -0.65 0.00 0.00 174.74 174.64 3f5o s THR 135 N 2.47 4.58 0.04 0.89 2.01 -0.02 -1.39 115.64 124.23 3f5o s THR 135 Ca 0.05 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.02 3f5o s THR 135 Cb -0.14 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 3f5o s THR 135 CO -0.12 0.46 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.49 3f5o s LYS 136 N 0.45 1.64 -0.12 4.92 1.02 0.11 -0.57 119.74 127.18 3f5o s LYS 136 Ca 0.02 -1.03 -0.17 0.00 0.02 0.00 0.00 55.97 54.81 3f5o s LYS 136 Cb -0.13 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3f5o s LYS 136 CO 0.01 0.46 0.42 -1.58 -0.92 0.00 0.00 175.35 173.74 3f5o s HIS 137 N -0.79 3.51 -0.15 3.18 5.65 0.16 -0.67 115.29 126.19 3f5o s HIS 137 Ca 0.10 0.81 -0.05 0.00 0.25 0.00 0.00 55.06 56.17 3f5o s HIS 137 Cb -0.09 -2.48 -0.04 0.00 -1.18 0.00 0.00 32.58 28.79 3f5o s HIS 137 CO 0.02 0.21 0.03 -0.51 -0.65 0.00 0.00 174.74 173.84 3f5o s LEU 138 N 0.48 3.67 0.00 8.88 1.43 0.11 -0.95 118.68 132.30 3f5o s LEU 138 Ca 0.23 0.07 0.30 0.00 -1.03 0.00 0.00 54.13 53.71 3f5o s LEU 138 Cb -0.15 -1.90 1.52 0.00 0.03 0.00 0.00 46.19 45.70 3f5o s LEU 138 CO 0.09 0.24 2.01 0.61 0.23 0.00 0.00 176.35 179.52