#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 0.54 -0.18 3.42 0.02 -1.99 -1.69 113.55 113.68 3f5o h SER 3 Ca 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3f5o h SER 3 Cb 0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3f5o h SER 3 CO 0.00 0.49 0.01 -0.03 -1.14 0.00 0.00 176.83 176.16 3f5o h MET 4 N 0.61 0.30 -0.58 3.45 -1.53 -1.99 -0.10 114.93 115.09 3f5o h MET 4 Ca 0.15 -0.09 0.03 0.00 -3.44 0.00 0.00 59.70 56.35 3f5o h MET 4 Cb 0.10 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.09 3f5o h MET 4 CO -0.02 0.50 0.35 1.15 0.14 0.00 0.00 176.91 179.03 3f5o h THR 5 N 0.07 1.06 -0.53 -0.77 2.02 -1.66 -0.63 112.91 112.48 3f5o h THR 5 Ca 0.05 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3f5o h THR 5 Cb 0.35 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3f5o h THR 5 CO 0.01 0.13 0.30 -0.61 0.37 0.00 0.00 175.52 175.72 3f5o h GLN 6 N 0.69 0.73 0.08 6.66 4.15 -1.04 -0.12 115.11 126.26 3f5o h GLN 6 Ca 0.23 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3f5o h GLN 6 Cb 0.03 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3f5o h GLN 6 CO -0.10 0.55 -0.04 0.77 -1.93 0.00 0.00 178.83 178.08 3f5o h SER 7 N 0.71 -0.10 -0.69 -0.69 0.02 -0.75 -2.53 113.55 109.51 3f5o h SER 7 Ca 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3f5o h SER 7 Cb 0.02 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3f5o h SER 7 CO -0.03 -0.07 0.19 0.25 -1.14 0.00 0.00 176.83 176.03 3f5o h LEU 8 N -0.12 1.04 -0.76 5.07 5.85 -0.89 -1.99 115.31 123.50 3f5o h LEU 8 Ca -0.01 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.60 3f5o h LEU 8 Cb 0.09 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 3f5o h LEU 8 CO 0.02 0.98 0.41 -0.09 -0.34 0.00 0.00 178.44 179.42 3f5o h ARG 9 N 1.05 0.67 -0.19 1.25 2.43 -0.88 -0.33 114.38 118.38 3f5o h ARG 9 Ca 0.22 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 3f5o h ARG 9 Cb 0.33 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3f5o h ARG 9 CO -0.00 0.45 -0.54 0.93 -1.51 0.00 0.00 179.97 179.29 3f5o h GLU 10 N 0.70 0.57 -0.46 0.20 4.39 -1.11 -1.36 114.58 117.51 3f5o h GLU 10 Ca 0.37 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3f5o h GLU 10 Cb 0.36 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3f5o h GLU 10 CO -0.25 0.97 0.28 0.28 -1.16 0.00 0.00 179.01 179.13 3f5o h VAL 11 N 0.44 1.07 0.23 3.13 2.07 -0.76 -1.93 116.25 120.50 3f5o h VAL 11 Ca 0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3f5o h VAL 11 Cb 1.09 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3f5o h VAL 11 CO 0.10 0.10 -0.11 0.40 0.02 0.00 0.00 177.57 178.08 3f5o h ILE 12 N 0.57 0.82 -0.51 4.57 2.04 -0.92 -1.06 117.51 123.03 3f5o h ILE 12 Ca 0.18 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3f5o h ILE 12 Cb -0.01 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3f5o h ILE 12 CO -0.07 0.08 0.14 0.50 0.00 0.00 0.00 178.15 178.79 3f5o h LYS 13 N -0.50 0.28 -0.21 2.37 3.64 -1.21 -1.27 116.57 119.67 3f5o h LYS 13 Ca -0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3f5o h LYS 13 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3f5o h LYS 13 CO 0.05 0.18 0.10 0.00 -2.27 0.00 0.00 179.45 177.52 3f5o h ALA 14 N 1.38 0.28 0.00 5.00 0.00 -1.33 -3.22 119.26 121.37 3f5o h ALA 14 Ca 0.25 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3f5o h ALA 14 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3f5o h ALA 14 CO -0.30 -0.16 -0.46 0.00 0.00 0.00 0.00 179.25 178.33 3f5o h MET 15 N 0.21 0.00 -0.00 0.00 -0.00 -0.59 -3.10 114.93 111.44 3f5o h MET 15 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 3f5o h MET 15 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 3f5o h MET 15 CO -0.01 0.46 -0.06 0.25 -0.00 0.00 0.00 176.91 177.55 3f5o n THR 16 N -3.67 0.00 1.19 -0.10 -2.24 -0.53 -3.66 114.28 105.27 3f5o n THR 16 Ca -0.01 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 3f5o n THR 16 Cb 0.54 -0.22 0.47 0.00 -2.10 0.00 0.00 70.33 69.02 3f5o n THR 16 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f5o n LYS 17 N -0.97 0.40 -1.34 -0.78 4.76 -1.17 -4.12 118.16 114.94 3f5o n LYS 17 Ca 0.16 -0.17 -0.29 0.00 -2.87 0.00 0.00 58.31 55.14 3f5o n LYS 17 Cb 0.25 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.10 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3f5o s ALA 18 N -2.72 1.31 -0.92 7.82 0.00 -1.24 -4.95 121.76 121.06 3f5o s ALA 18 Ca 0.20 -0.44 0.27 0.00 0.00 0.00 0.00 51.96 51.99 3f5o s ALA 18 Cb 0.19 -3.08 0.98 0.00 0.00 0.00 0.00 23.12 21.21 3f5o s ALA 18 CO 0.56 -2.60 1.78 0.54 0.00 0.00 0.00 175.76 176.04 3f5o n ARG 19 N -4.00 0.08 -1.05 0.00 1.74 -1.26 -4.46 116.66 107.71 3f5o n ARG 19 Ca 0.06 0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 56.99 3f5o n ARG 19 Cb 0.58 -1.58 0.16 0.00 -1.02 0.00 0.00 32.46 30.60 3f5o n ARG 19 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3f5o n ASN 20 N -1.71 -0.74 0.28 0.55 0.23 -1.26 -4.89 115.26 107.73 3f5o n ASN 20 Ca 0.06 -1.17 0.16 0.00 -0.53 0.00 0.00 54.58 53.10 3f5o n ASN 20 Cb 0.37 -0.70 0.84 0.00 -2.08 0.00 0.00 39.78 38.21 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 -1.90 0.00 -0.03 -2.53 3.57 -1.97 -2.32 116.94 111.76 3f5o h PHE 21 Ca -0.29 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.22 3f5o h PHE 21 Cb 0.84 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 3f5o h PHE 21 CO 0.00 0.06 0.05 0.93 -2.23 0.00 0.00 178.31 177.12 3f5o h GLU 22 N 0.00 0.00 -0.45 1.11 4.39 -1.91 -1.99 114.58 115.72 3f5o h GLU 22 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 3f5o h GLU 22 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3f5o h GLU 22 CO 0.01 0.00 0.33 0.07 -1.16 0.00 0.00 179.01 178.25 3f5o h ARG 23 N 0.00 0.01 0.00 2.33 0.11 -1.57 -2.57 114.38 112.68 3f5o h ARG 23 Ca 0.01 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3f5o h ARG 23 Cb 0.11 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 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 -4.40 1.13 -0.40 0.08 0.24 -0.75 -1.17 118.33 113.05 3f5o n VAL 24 Ca 0.08 0.34 0.10 0.00 -2.04 0.00 0.00 64.34 62.82 3f5o n VAL 24 Cb 0.53 -1.20 0.33 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.78 4.24 -0.02 1.34 4.77 -0.97 -4.65 117.00 119.93 3f5o n LEU 25 Ca 0.02 -2.13 0.21 0.00 -0.03 0.00 0.00 56.01 54.08 3f5o n LEU 25 Cb 0.14 -0.53 0.69 0.00 -2.33 0.00 0.00 43.42 41.40 3f5o n LEU 25 CO 0.13 0.87 1.19 1.23 -1.33 0.00 0.00 177.39 179.48 3f5o h GLY 26 N 4.36 0.02 0.58 -0.72 0.00 -1.31 -0.84 103.07 105.16 3f5o h GLY 26 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f5o h GLY 26 CO 0.12 0.00 -0.09 0.28 0.00 0.00 0.00 176.54 176.85 3f5o n LYS 27 N -4.37 0.94 -2.40 4.80 4.76 -1.26 -4.92 118.16 115.70 3f5o n LYS 27 Ca 0.11 -0.37 -0.34 0.00 -2.87 0.00 0.00 58.31 54.84 3f5o n LYS 27 Cb 0.64 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.31 3.50 0.04 -0.18 -4.36 -0.32 -4.68 121.20 112.89 3f5o s ILE 28 Ca 0.33 0.93 0.09 0.00 -0.26 0.00 0.00 60.65 61.74 3f5o s ILE 28 Cb 0.20 -3.37 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 3f5o s ILE 28 CO 0.44 -0.21 -0.24 0.42 0.24 0.00 0.00 174.94 175.59 3f5o s THR 29 N -1.89 2.35 -0.16 8.37 -4.23 0.21 -4.98 115.64 115.32 3f5o s THR 29 Ca 0.70 -1.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.72 3f5o s THR 29 Cb -0.20 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 3f5o s THR 29 CO 0.23 0.37 0.44 -0.22 -0.54 0.00 0.00 174.62 174.90 3f5o s LEU 30 N -1.28 4.22 -0.19 4.79 2.96 -1.26 -0.63 118.68 127.29 3f5o s LEU 30 Ca 0.13 0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 54.53 3f5o s LEU 30 Cb -0.10 -2.60 -0.14 0.00 0.50 0.00 0.00 46.19 43.84 3f5o s LEU 30 CO 0.03 -0.04 0.08 0.52 -1.32 0.00 0.00 176.35 175.62 3f5o n VAL 31 N 3.98 1.50 -3.66 1.68 0.31 0.90 -4.95 118.33 118.09 3f5o n VAL 31 Ca -0.08 0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 3f5o n VAL 31 Cb 0.51 -2.14 -0.08 0.00 -0.91 0.00 0.00 33.84 31.22 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 -6.53 -0.51 -0.09 4.52 1.04 -0.99 -5.01 113.70 106.13 3f5o s SER 32 Ca -0.25 0.79 0.04 0.00 0.48 0.00 0.00 55.95 57.01 3f5o s SER 32 Cb 0.05 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 3f5o s SER 32 CO 0.48 -0.35 -0.22 0.00 0.98 0.00 0.00 173.24 174.12 3f5o s ALA 33 N -0.43 2.27 0.17 5.32 0.00 -1.26 -1.13 121.76 126.69 3f5o s ALA 33 Ca -0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 3f5o s ALA 33 Cb -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3f5o s ALA 33 CO 0.04 0.33 0.15 0.00 0.00 0.00 0.00 175.76 176.27 3f5o s ALA 34 N 0.17 0.75 -0.24 0.00 0.00 -0.13 -4.03 121.76 118.27 3f5o s ALA 34 Ca -0.12 -1.41 -0.36 0.00 0.00 0.00 0.00 51.96 50.06 3f5o s ALA 34 Cb -0.16 1.05 -0.13 0.00 0.00 0.00 0.00 23.12 23.88 3f5o s ALA 34 CO 0.07 -0.57 1.94 -2.30 0.00 0.00 0.00 175.76 174.90 3f5o n PRO 35 N -0.19 1.50 -1.15 0.00 -0.02 -1.26 -1.14 135.00 132.74 3f5o n PRO 35 Ca -0.03 0.51 -0.05 0.00 -2.02 0.00 0.00 63.50 61.91 3f5o n PRO 35 Cb 0.64 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 5.03 0.69 3.17 -1.23 0.00 -0.03 -4.97 105.19 107.85 3f5o n GLY 36 Ca 0.30 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.98 0.30 -0.03 1.61 2.20 -0.29 -0.83 119.74 120.72 3f5o s LYS 37 Ca 0.00 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 3f5o s LYS 37 Cb 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 3f5o s LYS 37 CO 0.00 -0.17 -0.08 0.08 -0.36 0.00 0.00 175.35 174.81 3f5o s VAL 38 N 1.49 0.75 -0.14 4.02 1.01 -0.21 -0.96 120.40 126.35 3f5o s VAL 38 Ca -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3f5o s VAL 38 Cb -0.10 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3f5o s VAL 38 CO -0.11 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.43 3f5o s ILE 39 N 0.26 1.71 0.33 2.22 1.01 -0.28 -0.97 121.20 125.47 3f5o s ILE 39 Ca -0.04 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 59.96 3f5o s ILE 39 Cb -0.09 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 3f5o s ILE 39 CO 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 174.94 175.34 3f5o s GLU 41 N -3.63 0.76 -0.25 0.00 2.02 0.20 -0.35 118.70 117.45 3f5o s GLU 41 Ca 0.32 -1.30 -0.23 0.00 0.02 0.00 0.00 54.97 53.78 3f5o s GLU 41 Cb 0.03 -0.06 0.07 0.00 0.10 0.00 0.00 34.13 34.27 3f5o s GLU 41 CO 0.16 -0.06 0.67 1.41 0.02 0.00 0.00 175.26 177.46 3f5o s MET 42 N -3.87 0.78 -0.16 1.61 1.75 -0.69 -0.62 119.30 118.10 3f5o s MET 42 Ca 0.11 0.94 -0.15 0.00 -1.25 0.00 0.00 55.69 55.33 3f5o s MET 42 Cb 0.06 0.37 -0.04 0.00 2.84 0.00 0.00 34.83 38.06 3f5o s MET 42 CO -0.06 -0.10 0.36 0.21 -0.65 0.00 0.00 175.02 174.78 3f5o s LYS 43 N 0.39 4.26 -0.22 4.11 2.20 -1.26 -0.44 119.74 128.78 3f5o s LYS 43 Ca -0.00 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 3f5o s LYS 43 Cb -0.05 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 3f5o s LYS 43 CO 0.00 0.16 1.38 0.08 -0.36 0.00 0.00 175.35 176.62 3f5o s VAL 44 N 0.68 4.05 0.50 4.02 1.01 -0.06 -4.96 120.40 125.64 3f5o s VAL 44 Ca 0.19 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.44 3f5o s VAL 44 Cb -0.14 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 3f5o s VAL 44 CO 0.06 -0.30 0.20 -1.61 0.00 0.00 0.00 175.10 173.45 3f5o s GLU 45 N 4.05 2.22 0.24 2.72 2.02 -1.26 -0.04 118.70 128.66 3f5o s GLU 45 Ca 0.60 -2.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.43 3f5o s GLU 45 Cb -0.21 -1.86 0.46 0.00 0.10 0.00 0.00 34.13 32.61 3f5o s GLU 45 CO 0.22 -0.39 1.70 1.49 0.02 0.00 0.00 175.26 178.30 3f5o h GLU 46 N 1.15 0.31 0.00 1.61 4.81 -1.98 -0.11 114.58 120.37 3f5o h GLU 46 Ca -0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3f5o h GLU 46 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3f5o h GLU 46 CO 0.67 0.21 0.02 1.05 -0.73 0.00 0.00 179.01 180.22 3f5o h GLU 47 N 0.32 0.00 -0.02 1.92 4.11 -2.00 -1.49 114.58 117.42 3f5o h GLU 47 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3f5o h GLU 47 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3f5o h GLU 47 CO -0.47 0.00 -0.36 0.72 0.07 0.00 0.00 179.01 178.97 3f5o n HIS 48 N -2.30 0.00 -3.63 2.06 8.25 -0.06 -5.01 115.22 114.54 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 0.05 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.38 4.22 0.00 1.59 -4.23 -0.56 -1.34 115.64 112.94 3f5o s THR 49 Ca 0.21 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3f5o s THR 49 Cb 0.19 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.57 3f5o s THR 49 CO 0.51 -0.20 0.00 -0.46 -0.54 0.00 0.00 174.62 173.93 3f5o n ASN 50 N -1.55 0.00 0.05 3.99 0.23 -0.01 -4.62 115.26 113.36 3f5o n ASN 50 Ca -0.02 -0.85 0.10 0.00 -0.53 0.00 0.00 54.58 53.28 3f5o n ASN 50 Cb 0.58 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.71 3f5o n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f5o n ALA 51 N -3.00 1.83 -0.47 -2.53 0.00 -1.26 -2.03 120.51 113.04 3f5o n ALA 51 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 3f5o n ALA 51 Cb 0.00 -1.35 0.24 0.00 0.00 0.00 0.00 19.45 18.34 3f5o n ALA 51 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3f5o n ILE 52 N -1.82 1.47 -1.05 0.00 -5.35 -1.26 -4.99 119.36 106.36 3f5o n ILE 52 Ca 0.04 -1.24 -0.02 0.00 -0.27 0.00 0.00 62.75 61.26 3f5o n ILE 52 Cb 0.24 0.25 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 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 0.54 0.53 3.70 3.28 0.00 -0.86 -5.03 105.19 107.34 3f5o n GLY 53 Ca 0.18 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.04 2.71 0.10 2.61 -4.23 -1.26 -2.38 115.64 111.14 3f5o s THR 54 Ca 0.00 -1.78 -0.34 0.00 -1.18 0.00 0.00 61.69 58.39 3f5o s THR 54 Cb 0.00 -2.93 -0.13 0.00 1.34 0.00 0.00 72.50 70.78 3f5o s THR 54 CO 0.00 -0.14 1.64 -0.11 -0.54 0.00 0.00 174.62 175.47 3f5o n LEU 55 N -1.11 3.11 -4.71 4.79 7.94 0.69 -0.83 117.00 126.88 3f5o n LEU 55 Ca -0.03 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 3f5o n LEU 55 Cb 0.62 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 3f5o n LEU 55 CO 0.44 -0.27 1.05 -2.28 -1.11 0.00 0.00 177.39 175.22 3f5o s HIS 56 N 1.66 3.14 0.44 1.96 5.65 -0.45 -4.69 115.29 123.00 3f5o s HIS 56 Ca 0.82 0.96 0.23 0.00 0.25 0.00 0.00 55.06 57.32 3f5o s HIS 56 Cb -0.70 -3.63 1.22 0.00 -1.18 0.00 0.00 32.58 28.29 3f5o s HIS 56 CO 0.42 -2.23 1.81 0.78 -0.65 0.00 0.00 174.74 174.86 3f5o h GLY 57 N 7.32 0.79 2.00 1.59 0.00 -1.91 -0.10 103.07 112.76 3f5o h GLY 57 Ca -0.41 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 3f5o h GLY 57 CO 0.87 -0.07 -0.58 -1.33 0.00 0.00 0.00 176.54 175.43 3f5o h GLY 58 N 0.28 0.00 1.42 4.60 0.00 -1.98 -1.55 103.07 105.85 3f5o h GLY 58 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.66 3f5o h GLY 58 CO -0.19 0.00 -0.85 -2.00 0.00 0.00 0.00 176.54 173.51 3f5o h LEU 59 N 0.00 0.68 -0.63 3.11 5.85 -1.41 -0.94 115.31 121.97 3f5o h LEU 59 Ca -0.01 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.30 3f5o h LEU 59 Cb 1.13 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 3f5o h LEU 59 CO 0.08 1.27 0.32 0.74 -0.34 0.00 0.00 178.44 180.50 3f5o h THR 60 N 0.35 0.91 -0.80 1.05 2.02 -1.15 0.20 112.91 115.50 3f5o h THR 60 Ca -0.06 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 3f5o h THR 60 Cb 1.46 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3f5o h THR 60 CO 0.16 0.11 0.33 0.00 0.37 0.00 0.00 175.52 176.48 3f5o h ALA 61 N 1.35 1.04 -0.49 6.16 0.00 -1.16 -1.01 119.26 125.15 3f5o h ALA 61 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3f5o h ALA 61 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3f5o h ALA 61 CO -0.21 0.65 0.09 1.15 0.00 0.00 0.00 179.25 180.93 3f5o h THR 62 N 1.16 1.25 -0.38 0.00 2.02 -0.41 0.24 112.91 116.78 3f5o h THR 62 Ca 0.27 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.58 3f5o h THR 62 Cb 0.20 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3f5o h THR 62 CO -0.02 0.32 0.17 -0.07 0.37 0.00 0.00 175.52 176.29 3f5o h LEU 63 N 0.68 0.23 0.07 2.58 3.38 -0.35 -0.03 115.31 121.86 3f5o h LEU 63 Ca 0.15 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3f5o h LEU 63 Cb 0.37 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3f5o h LEU 63 CO 0.01 0.17 -0.21 0.58 0.09 0.00 0.00 178.44 179.08 3f5o h VAL 64 N 0.35 0.53 0.15 1.22 2.07 -0.86 -0.05 116.25 119.67 3f5o h VAL 64 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3f5o h VAL 64 Cb 0.10 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3f5o h VAL 64 CO -0.14 0.00 -0.44 -0.78 0.02 0.00 0.00 177.57 176.23 3f5o h ASP 65 N -0.37 -1.31 -0.25 0.57 3.58 -0.76 -2.23 116.42 115.66 3f5o h ASP 65 Ca 0.04 0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 3f5o h ASP 65 Cb 0.41 0.48 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 3f5o h ASP 65 CO -0.14 -0.51 -0.11 0.78 -2.88 0.00 0.00 179.24 176.37 3f5o h ASN 66 N -0.70 0.54 -0.06 2.28 4.21 -0.92 -2.32 115.58 118.60 3f5o h ASN 66 Ca 0.01 -0.40 -0.16 0.00 1.21 0.00 0.00 56.30 56.96 3f5o h ASN 66 Cb 0.71 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3f5o h ASN 66 CO -0.24 0.82 -0.50 0.40 -1.29 0.00 0.00 177.43 176.63 3f5o h ILE 67 N 0.25 1.31 -0.82 2.81 1.08 -1.03 -0.64 117.51 120.47 3f5o h ILE 67 Ca 0.06 -1.71 -0.04 0.00 -0.39 0.00 0.00 64.86 62.78 3f5o h ILE 67 Cb 0.62 1.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 3f5o h ILE 67 CO 0.04 0.54 0.37 0.77 -0.69 0.00 0.00 178.15 179.17 3f5o h SER 68 N 0.49 1.10 -0.81 1.72 4.64 -1.46 -1.89 113.55 117.35 3f5o h SER 68 Ca 0.02 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3f5o h SER 68 Cb 1.04 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 3f5o h SER 68 CO 0.10 0.94 0.46 0.74 -0.87 0.00 0.00 176.83 178.20 3f5o h THR 69 N 1.18 1.24 -0.70 2.95 2.02 -0.75 -1.45 112.91 117.39 3f5o h THR 69 Ca 0.28 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 3f5o h THR 69 Cb 0.16 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3f5o h THR 69 CO -0.03 0.26 0.24 0.24 0.37 0.00 0.00 175.52 176.60 3f5o h MET 70 N 1.13 1.06 -0.81 6.66 2.07 -0.75 -1.58 114.93 122.71 3f5o h MET 70 Ca 0.29 -0.20 -0.03 0.00 -2.07 0.00 0.00 59.70 57.69 3f5o h MET 70 Cb 0.01 -0.17 -0.04 0.00 -1.87 0.00 0.00 31.60 29.53 3f5o h MET 70 CO -0.05 0.88 0.39 0.00 1.07 0.00 0.00 176.91 179.20 3f5o h ALA 71 N 1.24 1.15 -0.35 6.32 0.00 -0.57 -2.17 119.26 124.88 3f5o h ALA 71 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3f5o h ALA 71 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3f5o h ALA 71 CO -0.01 0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 179.81 3f5o h LEU 72 N 1.16 0.52 -1.24 0.00 3.38 -0.61 -2.84 115.31 115.68 3f5o h LEU 72 Ca 0.28 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3f5o h LEU 72 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3f5o h LEU 72 CO -0.03 0.59 -0.25 -0.07 0.09 0.00 0.00 178.44 178.76 3f5o h LEU 73 N 0.53 0.20 -3.49 1.67 3.38 -0.69 -3.04 115.31 113.86 3f5o h LEU 73 Ca 0.11 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3f5o h LEU 73 Cb 0.34 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3f5o h LEU 73 CO 0.01 0.46 0.01 0.00 0.09 0.00 0.00 178.44 179.01 3f5o s THR 75 N -0.37 0.93 0.17 0.00 -4.23 -1.15 -0.85 115.64 110.15 3f5o s THR 75 Ca 0.29 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.64 3f5o s THR 75 Cb 0.17 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.65 3f5o s THR 75 CO -0.02 -0.25 1.83 -0.08 -0.54 0.00 0.00 174.62 175.56 3f5o h GLU 76 N 2.45 0.66 -0.15 3.99 4.57 -1.88 -2.55 114.58 121.66 3f5o h GLU 76 Ca -0.38 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 57.78 3f5o h GLU 76 Cb 1.23 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 3f5o h GLU 76 CO 0.64 0.44 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.81 3f5o h ARG 77 N 0.68 0.04 -0.48 1.92 9.65 -1.94 -3.46 114.38 120.79 3f5o h ARG 77 Ca 0.19 -0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.87 3f5o h ARG 77 Cb -0.06 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.43 3f5o h ARG 77 CO -0.05 0.02 -0.19 0.41 2.80 0.00 0.00 179.97 182.96 3f5o n GLY 78 N -1.16 1.10 3.71 2.80 0.00 -0.96 -4.98 105.19 105.69 3f5o n GLY 78 Ca -0.04 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.18 3.32 0.07 4.61 0.00 -1.26 -4.63 121.76 121.69 3f5o s ALA 79 Ca 0.00 0.21 0.17 0.00 0.00 0.00 0.00 51.96 52.34 3f5o s ALA 79 Cb 0.00 -3.07 0.47 0.00 0.00 0.00 0.00 23.12 20.51 3f5o s ALA 79 CO 0.00 -0.20 1.63 -1.00 0.00 0.00 0.00 175.76 176.19 3f5o h PRO 80 N 6.84 0.00 0.00 0.00 0.13 -1.88 -3.41 132.00 133.68 3f5o h PRO 80 Ca -0.40 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.96 3f5o h PRO 80 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3f5o h PRO 80 CO 0.76 0.44 -0.30 0.41 -0.23 0.00 0.00 178.00 179.08 3f5o n GLY 81 N 0.57 -2.04 3.25 1.56 0.00 -1.26 -4.91 105.19 102.36 3f5o n GLY 81 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.67 1.62 0.31 1.61 -7.23 -0.44 -4.91 120.40 109.69 3f5o s VAL 82 Ca 0.00 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 3f5o s VAL 82 Cb 0.00 -1.43 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 3f5o s VAL 82 CO 0.00 0.09 1.33 -0.44 -0.31 0.00 0.00 175.10 175.77 3f5o s SER 83 N -1.41 6.76 -0.05 4.85 0.01 -1.26 -0.32 113.70 122.27 3f5o s SER 83 Ca 0.06 2.67 -0.05 0.00 1.31 0.00 0.00 55.95 59.94 3f5o s SER 83 Cb -0.09 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 3f5o s SER 83 CO 0.02 -0.57 -0.12 0.52 0.41 0.00 0.00 173.24 173.51 3f5o n VAL 84 N 1.18 0.84 -3.94 3.43 0.31 0.32 -4.80 118.33 115.67 3f5o n VAL 84 Ca 0.02 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 3f5o n VAL 84 Cb 0.42 -1.71 -0.14 0.00 -0.91 0.00 0.00 33.84 31.49 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 -5.89 0.17 0.01 4.52 1.01 -1.01 -5.00 116.67 110.48 3f5o s ASP 85 Ca -0.12 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.12 3f5o s ASP 85 Cb 0.04 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.93 3f5o s ASP 85 CO 0.15 0.01 -0.01 -0.32 0.21 0.00 0.00 175.17 175.21 3f5o s MET 86 N 0.05 0.11 0.02 8.23 -2.45 -1.26 -0.61 119.30 123.39 3f5o s MET 86 Ca -0.00 -0.17 -0.02 0.00 -1.25 0.00 0.00 55.69 54.25 3f5o s MET 86 Cb -0.01 -0.01 -0.02 0.00 1.25 0.00 0.00 34.83 36.03 3f5o s MET 86 CO -0.00 -0.00 0.01 0.54 1.05 0.00 0.00 175.02 176.62 3f5o s ASN 87 N -0.37 0.24 -0.03 1.11 2.20 -0.48 -4.99 114.94 112.62 3f5o s ASN 87 Ca -0.04 -0.54 -0.03 0.00 -0.94 0.00 0.00 52.86 51.32 3f5o s ASN 87 Cb -0.03 0.15 0.01 0.00 -2.00 0.00 0.00 41.25 39.38 3f5o s ASN 87 CO -0.00 -0.39 0.08 -0.63 -2.94 0.00 0.00 177.10 173.22 3f5o s ILE 88 N -2.00 0.00 -0.08 0.54 1.01 -1.26 -1.59 121.20 117.82 3f5o s ILE 88 Ca -0.11 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.58 3f5o s ILE 88 Cb -0.06 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.29 3f5o s ILE 88 CO -0.03 -0.00 -0.22 -0.89 0.00 0.00 0.00 174.94 173.80 3f5o s THR 89 N 0.03 1.86 -0.32 2.92 2.01 0.18 -4.98 115.64 117.33 3f5o s THR 89 Ca -0.00 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 3f5o s THR 89 Cb -0.01 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.92 3f5o s THR 89 CO 0.00 0.52 0.11 -0.31 -0.69 0.00 0.00 174.62 174.24 3f5o s TYR 90 N 0.30 3.20 -0.17 4.92 1.51 -1.26 -1.29 117.35 124.55 3f5o s TYR 90 Ca -0.15 -1.11 0.15 0.00 -1.01 0.00 0.00 57.07 54.95 3f5o s TYR 90 Cb -0.17 -2.29 -0.21 0.00 -0.11 0.00 0.00 41.96 39.19 3f5o s TYR 90 CO 0.07 -0.63 0.06 -1.33 -1.11 0.00 0.00 175.55 172.60 3f5o n MET 91 N 4.87 1.23 -3.70 -0.62 2.81 0.35 -5.00 117.12 117.06 3f5o n MET 91 Ca -0.13 -0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.60 3f5o n MET 91 Cb 0.47 -1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 31.46 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 -5.08 -0.36 0.36 7.83 1.04 -0.96 -5.01 113.70 111.53 3f5o s SER 92 Ca -0.08 0.40 -0.27 0.00 0.48 0.00 0.00 55.95 56.48 3f5o s SER 92 Cb 0.05 0.49 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 3f5o s SER 92 CO 0.69 -0.43 1.14 -2.84 0.98 0.00 0.00 173.24 172.79 3f5o s PRO 93 N -0.97 4.28 -0.32 4.02 0.02 -1.26 -4.61 135.00 136.16 3f5o s PRO 93 Ca -0.10 1.81 -0.13 0.00 0.02 0.00 0.00 61.00 62.60 3f5o s PRO 93 Cb -0.04 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 3f5o s PRO 93 CO 0.05 -0.12 0.27 0.00 -0.33 0.00 0.00 177.00 176.87 3f5o s ALA 94 N -1.35 3.52 0.39 -1.55 0.00 -1.26 -5.01 121.76 116.50 3f5o s ALA 94 Ca 0.53 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 3f5o s ALA 94 Cb -0.31 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.09 3f5o s ALA 94 CO 0.39 -0.84 0.78 0.15 0.00 0.00 0.00 175.76 176.24 3f5o s LYS 95 N 1.84 3.85 -0.03 0.00 1.02 -1.26 -0.23 119.74 124.93 3f5o s LYS 95 Ca 0.09 0.55 -0.40 0.00 0.02 0.00 0.00 55.97 56.23 3f5o s LYS 95 Cb -0.17 -2.38 -0.19 0.00 -0.52 0.00 0.00 37.83 34.57 3f5o s LYS 95 CO 0.11 -0.01 1.21 -0.11 -0.92 0.00 0.00 175.35 175.63 3f5o n LEU 96 N -1.09 0.59 0.00 3.17 7.94 -1.00 -1.55 117.00 125.06 3f5o n LEU 96 Ca 0.03 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3f5o n LEU 96 Cb 0.54 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3f5o n LEU 96 CO 0.46 -1.55 0.00 0.61 -1.11 0.00 0.00 177.39 175.80 3f5o n GLY 97 N 2.07 1.86 3.77 -3.96 0.00 0.95 -5.00 105.19 104.87 3f5o n GLY 97 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3f5o n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f5o s GLU 98 N -0.50 4.43 -0.07 1.61 2.02 -0.59 -4.72 118.70 120.88 3f5o s GLU 98 Ca 0.00 1.75 -0.19 0.00 0.02 0.00 0.00 54.97 56.54 3f5o s GLU 98 Cb 0.00 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 3f5o s GLU 98 CO 0.00 0.04 0.54 -0.51 0.02 0.00 0.00 175.26 175.35 3f5o s ASP 99 N -1.07 6.83 0.19 -0.19 1.01 -1.26 -0.88 116.67 121.30 3f5o s ASP 99 Ca 0.50 0.99 0.11 0.00 0.71 0.00 0.00 52.55 54.85 3f5o s ASP 99 Cb -0.30 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3f5o s ASP 99 CO 0.38 0.04 -0.20 0.27 0.21 0.00 0.00 175.17 175.87 3f5o s ILE 100 N 0.26 2.59 -0.09 0.77 -4.36 0.41 -1.06 121.20 119.72 3f5o s ILE 100 Ca 0.29 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 3f5o s ILE 100 Cb -0.17 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 3f5o s ILE 100 CO 0.14 -0.13 -0.20 -0.69 0.24 0.00 0.00 174.94 174.30 3f5o s VAL 101 N -1.71 2.45 -0.24 8.37 1.01 0.34 -1.71 120.40 128.91 3f5o s VAL 101 Ca 0.22 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3f5o s VAL 101 Cb -0.08 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3f5o s VAL 101 CO 0.11 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 175.07 3f5o s ILE 102 N 0.06 2.86 -0.24 2.22 1.09 0.53 -0.90 121.20 126.82 3f5o s ILE 102 Ca -0.08 -0.95 -0.02 0.00 -1.10 0.00 0.00 60.65 58.50 3f5o s ILE 102 Cb -0.15 -2.41 0.02 0.00 -1.06 0.00 0.00 42.46 38.86 3f5o s ILE 102 CO 0.05 0.26 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.19 3f5o s THR 103 N 1.34 2.85 -0.07 2.92 2.01 -0.29 -1.09 115.64 123.31 3f5o s THR 103 Ca 0.01 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.07 3f5o s THR 103 Cb -0.16 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 3f5o s THR 103 CO -0.05 0.24 -0.16 0.00 -0.69 0.00 0.00 174.62 173.96 3f5o s ALA 104 N 1.33 2.55 0.03 7.40 0.00 -0.14 -1.24 121.76 131.70 3f5o s ALA 104 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3f5o s ALA 104 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 3f5o s ALA 104 CO -0.05 0.45 -0.04 -3.38 0.00 0.00 0.00 175.76 172.74 3f5o s HIS 105 N -0.34 0.40 -0.15 0.00 -3.43 -0.19 -1.05 115.29 110.53 3f5o s HIS 105 Ca 0.03 -0.63 -0.23 0.00 -0.80 0.00 0.00 55.06 53.43 3f5o s HIS 105 Cb -0.13 -0.27 -0.03 0.00 -1.43 0.00 0.00 32.58 30.73 3f5o s HIS 105 CO 0.02 -0.20 0.71 0.08 -2.00 0.00 0.00 174.74 173.35 3f5o s VAL 106 N -1.94 4.99 -0.06 -5.38 1.01 -0.01 -1.28 120.40 117.73 3f5o s VAL 106 Ca -0.10 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 3f5o s VAL 106 Cb -0.06 -4.03 -0.30 0.00 0.00 0.00 0.00 36.38 32.00 3f5o s VAL 106 CO -0.02 0.13 0.62 -0.07 0.00 0.00 0.00 175.10 175.75 3f5o h LEU 107 N 7.82 0.55 -7.00 3.92 3.38 -0.80 -3.48 115.31 119.70 3f5o h LEU 107 Ca -0.33 -0.90 0.11 0.00 0.09 0.00 0.00 57.88 56.85 3f5o h LEU 107 Cb 1.15 -0.18 -0.27 0.00 0.09 0.00 0.00 40.66 41.45 3f5o h LEU 107 CO 0.79 1.77 0.62 -0.75 0.09 0.00 0.00 178.44 180.96 3f5o s LYS 108 N -2.58 0.38 0.04 1.13 2.20 -1.14 -5.01 119.74 114.77 3f5o s LYS 108 Ca -0.17 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.76 3f5o s LYS 108 Cb 0.06 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 3f5o s LYS 108 CO 0.84 -0.07 -0.05 1.14 -0.36 0.00 0.00 175.35 176.84 3f5o s GLN 109 N -0.27 0.48 0.00 4.03 -2.07 -1.26 -0.83 119.66 119.74 3f5o s GLN 109 Ca 0.03 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 52.76 3f5o s GLN 109 Cb -0.03 -0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.84 3f5o s GLN 109 CO -0.07 -0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 3f5o n GLY 110 N 1.19 5.90 0.21 2.60 0.00 0.15 -5.01 105.19 110.22 3f5o n GLY 110 Ca -0.21 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.68 0.00 1.61 1.57 -2.01 -3.38 116.57 115.03 3f5o h LYS 111 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3f5o h LYS 111 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3f5o h LYS 111 CO 0.00 0.66 -0.59 0.25 -0.57 0.00 0.00 179.45 179.20 3f5o n THR 112 N -4.56 0.00 -4.70 -0.16 -2.24 -1.26 -4.53 114.28 96.83 3f5o n THR 112 Ca 0.00 -0.11 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 3f5o n THR 112 Cb 0.19 0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.20 2.20 0.04 3.22 1.43 -1.26 0.41 118.68 122.51 3f5o s LEU 113 Ca 0.00 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3f5o s LEU 113 Cb 0.00 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 3f5o s LEU 113 CO 0.00 0.20 -0.15 0.00 0.23 0.00 0.00 176.35 176.63 3f5o s ALA 114 N -0.86 1.22 -0.07 4.21 0.00 -0.33 -0.68 121.76 125.25 3f5o s ALA 114 Ca 0.10 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3f5o s ALA 114 Cb -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3f5o s ALA 114 CO 0.03 0.23 -0.17 -0.06 0.00 0.00 0.00 175.76 175.79 3f5o s PHE 115 N -0.86 1.86 0.07 0.00 0.40 -0.01 -0.93 117.98 118.52 3f5o s PHE 115 Ca 0.02 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 3f5o s PHE 115 Cb -0.08 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 3f5o s PHE 115 CO 0.01 -0.28 -0.06 0.95 0.70 0.00 0.00 175.22 176.54 3f5o s THR 116 N 0.36 0.54 0.05 0.64 -4.23 -0.18 -0.04 115.64 112.77 3f5o s THR 116 Ca -0.12 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 3f5o s THR 116 Cb -0.15 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 3f5o s THR 116 CO 0.05 -0.70 -0.12 -0.55 -0.54 0.00 0.00 174.62 172.75 3f5o s SER 117 N -2.43 1.39 -0.02 3.99 0.15 -0.40 -1.37 113.70 115.00 3f5o s SER 117 Ca 0.02 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.17 3f5o s SER 117 Cb -0.00 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 3f5o s SER 117 CO -0.04 -0.06 -0.02 -0.69 1.20 0.00 0.00 173.24 173.63 3f5o s VAL 118 N -1.08 0.27 -0.10 4.45 1.01 -0.10 -1.02 120.40 123.82 3f5o s VAL 118 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3f5o s VAL 118 Cb -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3f5o s VAL 118 CO 0.01 0.14 -0.12 -1.81 0.00 0.00 0.00 175.10 173.33 3f5o s ASP 119 N 0.71 4.16 -0.18 3.32 1.11 -0.37 -0.74 116.67 124.68 3f5o s ASP 119 Ca -0.08 -0.23 -0.06 0.00 0.18 0.00 0.00 52.55 52.36 3f5o s ASP 119 Cb -0.11 -1.33 -0.04 0.00 1.07 0.00 0.00 42.92 42.51 3f5o s ASP 119 CO -0.01 0.25 0.03 -0.76 1.18 0.00 0.00 175.17 175.86 3f5o s LEU 120 N -0.13 3.62 0.08 1.23 1.02 -0.18 -1.14 118.68 123.18 3f5o s LEU 120 Ca -0.01 0.00 0.04 0.00 0.02 0.00 0.00 54.13 54.18 3f5o s LEU 120 Cb -0.13 -1.90 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 3f5o s LEU 120 CO 0.03 0.16 -0.11 0.42 0.02 0.00 0.00 176.35 176.88 3f5o s THR 121 N 0.42 0.91 0.05 5.49 -4.23 -0.08 0.18 115.64 118.39 3f5o s THR 121 Ca 0.01 -1.49 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 3f5o s THR 121 Cb -0.13 -1.19 -0.07 0.00 1.34 0.00 0.00 72.50 72.45 3f5o s THR 121 CO 0.01 -0.47 1.53 0.21 -0.54 0.00 0.00 174.62 175.37 3f5o s ASN 122 N -2.17 6.71 0.13 3.99 3.84 -0.27 -0.51 114.94 126.67 3f5o s ASN 122 Ca 0.02 2.34 -0.16 0.00 0.21 0.00 0.00 52.86 55.27 3f5o s ASN 122 Cb -0.05 -2.57 -0.00 0.00 -0.55 0.00 0.00 41.25 38.08 3f5o s ASN 122 CO 0.01 -0.80 1.66 0.50 -2.79 0.00 0.00 177.10 175.68 3f5o h LYS 123 N 7.93 0.63 -0.20 0.43 3.64 -1.40 0.25 116.57 127.85 3f5o h LYS 123 Ca -0.41 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 3f5o h LYS 123 Cb 1.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3f5o h LYS 123 CO 0.91 0.61 -0.04 0.00 -2.27 0.00 0.00 179.45 178.66 3f5o h ALA 124 N 0.99 0.27 0.00 5.00 0.00 -1.92 -3.34 119.26 120.26 3f5o h ALA 124 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3f5o h ALA 124 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3f5o h ALA 124 CO -0.01 0.04 -1.65 0.25 0.00 0.00 0.00 179.25 177.88 3f5o n THR 125 N -4.64 0.00 -0.40 0.00 -2.24 -1.21 -4.99 114.28 100.81 3f5o n THR 125 Ca -0.05 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3f5o n THR 125 Cb 0.27 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.35 1.89 3.79 3.38 0.00 0.87 -4.99 105.19 111.47 3f5o n GLY 126 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3f5o n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f5o s LYS 127 N -0.05 4.16 0.04 1.61 -2.85 -1.25 -4.58 119.74 116.80 3f5o s LYS 127 Ca 0.00 1.39 -0.31 0.00 -1.00 0.00 0.00 55.97 56.06 3f5o s LYS 127 Cb 0.00 -2.42 -0.06 0.00 -2.06 0.00 0.00 37.83 33.28 3f5o s LYS 127 CO 0.00 -0.13 1.41 -1.17 0.10 0.00 0.00 175.35 175.57 3f5o s LEU 128 N -2.83 4.34 -0.20 2.77 2.96 -1.26 -1.11 118.68 123.34 3f5o s LEU 128 Ca 0.59 2.20 -0.21 0.00 -0.22 0.00 0.00 54.13 56.50 3f5o s LEU 128 Cb -0.18 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.76 3f5o s LEU 128 CO 0.23 -0.71 0.21 0.40 -1.32 0.00 0.00 176.35 175.17 3f5o h ILE 129 N 4.71 0.89 -3.04 6.68 2.04 -0.52 -3.33 117.51 124.94 3f5o h ILE 129 Ca -0.40 -2.11 -0.04 0.00 1.00 0.00 0.00 64.86 63.32 3f5o h ILE 129 Cb 1.19 2.13 -0.13 0.00 -0.74 0.00 0.00 36.82 39.26 3f5o h ILE 129 CO 0.89 0.30 0.09 0.00 0.00 0.00 0.00 178.15 179.43 3f5o s ALA 130 N -2.38 -1.34 -0.02 1.87 0.00 -1.10 -0.50 121.76 118.30 3f5o s ALA 130 Ca -0.27 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3f5o s ALA 130 Cb 0.05 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.87 3f5o s ALA 130 CO 0.57 -0.66 -0.04 -1.14 0.00 0.00 0.00 175.76 174.48 3f5o s GLN 131 N -3.42 0.50 0.14 0.00 0.74 -0.41 -1.01 119.66 116.19 3f5o s GLN 131 Ca -0.00 -0.14 0.05 0.00 0.05 0.00 0.00 55.36 55.32 3f5o s GLN 131 Cb 0.00 -0.52 -0.04 0.00 1.10 0.00 0.00 33.01 33.55 3f5o s GLN 131 CO -0.10 0.04 -0.11 0.20 -0.55 0.00 0.00 175.29 174.78 3f5o s GLY 132 N 0.25 1.04 0.10 2.59 0.00 0.08 -0.65 107.32 110.74 3f5o s GLY 132 Ca -0.03 -1.42 0.07 0.00 0.00 0.00 0.00 44.72 43.35 3f5o s GLY 132 CO -0.00 -1.51 -0.19 -1.60 0.00 0.00 0.00 173.10 169.79 3f5o s ARG 133 N -3.45 1.05 -0.14 2.90 3.52 -0.62 -0.92 118.95 121.29 3f5o s ARG 133 Ca 0.14 -1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 54.57 3f5o s ARG 133 Cb 0.01 -1.24 0.07 0.00 -1.56 0.00 0.00 34.95 32.23 3f5o s ARG 133 CO 0.01 0.28 0.25 -1.58 -0.81 0.00 0.00 175.30 173.45 3f5o s HIS 134 N -1.25 -0.39 -0.16 5.12 5.65 -0.47 -1.38 115.29 122.40 3f5o s HIS 134 Ca 0.05 0.80 -0.06 0.00 0.25 0.00 0.00 55.06 56.11 3f5o s HIS 134 Cb -0.10 -0.11 -0.04 0.00 -1.18 0.00 0.00 32.58 31.16 3f5o s HIS 134 CO 0.04 -0.41 0.02 0.99 -0.65 0.00 0.00 174.74 174.73 3f5o s THR 135 N 2.40 4.44 0.09 0.89 2.01 0.22 -1.01 115.64 124.68 3f5o s THR 135 Ca 0.03 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 61.94 3f5o s THR 135 Cb -0.13 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 3f5o s THR 135 CO -0.09 0.49 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.60 3f5o s LYS 136 N 0.22 1.06 -0.17 4.92 1.02 -0.11 -0.52 119.74 126.16 3f5o s LYS 136 Ca 0.02 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.80 3f5o s LYS 136 Cb -0.13 -1.25 -0.05 0.00 -0.52 0.00 0.00 37.83 35.88 3f5o s LYS 136 CO 0.01 0.29 0.21 -1.58 -0.92 0.00 0.00 175.35 173.36 3f5o s HIS 137 N -1.17 3.47 -0.16 3.18 5.65 0.56 -1.19 115.29 125.63 3f5o s HIS 137 Ca 0.04 0.49 0.13 0.00 0.25 0.00 0.00 55.06 55.97 3f5o s HIS 137 Cb -0.10 -2.21 -0.23 0.00 -1.18 0.00 0.00 32.58 28.85 3f5o s HIS 137 CO 0.04 0.34 0.20 1.28 -0.65 0.00 0.00 174.74 175.94 3f5o n LEU 138 N 3.29 0.82 0.00 8.88 4.77 0.17 -1.33 117.00 133.60 3f5o n LEU 138 Ca -0.15 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3f5o n LEU 138 Cb 0.52 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3f5o n LEU 138 CO 0.37 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.60