#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5o h THR 5 N 0.00 1.02 -0.42 1.12 2.02 -1.99 -1.13 112.91 113.52 3f5o h THR 5 Ca 0.00 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 3f5o h THR 5 Cb 0.00 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3f5o h THR 5 CO 0.00 0.14 -0.02 1.56 0.37 0.00 0.00 175.52 177.57 3f5o h GLN 6 N 0.74 0.76 0.15 6.66 1.08 -1.99 -0.73 115.11 121.78 3f5o h GLN 6 Ca 0.28 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3f5o h GLN 6 Cb 0.11 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3f5o h GLN 6 CO -0.15 0.84 -0.12 0.77 -0.95 0.00 0.00 178.83 179.22 3f5o h SER 7 N 0.59 -0.32 -0.65 1.46 0.02 -1.96 -2.30 113.55 110.38 3f5o h SER 7 Ca 0.12 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3f5o h SER 7 Cb 0.51 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3f5o h SER 7 CO 0.02 -0.20 0.42 -0.07 -1.14 0.00 0.00 176.83 175.87 3f5o h LEU 8 N -0.29 0.75 -1.19 5.07 3.38 -1.09 -0.95 115.31 120.99 3f5o h LEU 8 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3f5o h LEU 8 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3f5o h LEU 8 CO -0.02 0.55 0.24 0.03 0.09 0.00 0.00 178.44 179.33 3f5o h ARG 9 N 0.88 0.80 -0.23 1.13 3.08 -0.87 -1.44 114.38 117.72 3f5o h ARG 9 Ca 0.24 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 3f5o h ARG 9 Cb -0.09 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.81 3f5o h ARG 9 CO -0.05 0.65 -0.47 0.93 -1.07 0.00 0.00 179.97 179.96 3f5o h GLU 10 N 0.79 0.73 -0.51 0.04 4.39 -0.72 -2.26 114.58 117.04 3f5o h GLU 10 Ca 0.19 -0.47 0.10 0.00 0.34 0.00 0.00 59.36 59.52 3f5o h GLU 10 Cb 0.14 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.76 3f5o h GLU 10 CO -0.02 1.10 0.03 0.28 -1.16 0.00 0.00 179.01 179.23 3f5o h VAL 11 N 0.45 0.63 -0.77 3.13 2.07 -0.72 -0.46 116.25 120.58 3f5o h VAL 11 Ca 0.01 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3f5o h VAL 11 Cb 1.07 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3f5o h VAL 11 CO 0.10 0.03 0.39 0.40 0.02 0.00 0.00 177.57 178.51 3f5o h ILE 12 N 0.15 1.24 -0.68 4.57 2.04 -1.17 0.01 117.51 123.67 3f5o h ILE 12 Ca 0.26 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3f5o h ILE 12 Cb 0.38 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3f5o h ILE 12 CO -0.40 0.28 0.44 0.11 0.00 0.00 0.00 178.15 178.58 3f5o h LYS 13 N 1.08 0.86 -0.35 2.37 1.57 -0.85 -2.08 116.57 119.18 3f5o h LYS 13 Ca 0.27 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3f5o h LYS 13 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3f5o h LYS 13 CO -0.04 0.57 0.12 0.00 -0.57 0.00 0.00 179.45 179.53 3f5o h ALA 14 N 1.27 0.46 -0.50 3.86 0.00 -0.51 -2.94 119.26 120.89 3f5o h ALA 14 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3f5o h ALA 14 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3f5o h ALA 14 CO -0.07 0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.41 3f5o h MET 15 N 0.42 0.74 -0.77 0.00 -0.00 -0.87 -2.51 114.93 111.94 3f5o h MET 15 Ca 0.11 -0.13 0.11 0.00 -0.00 0.00 0.00 59.70 59.80 3f5o h MET 15 Cb 0.23 -0.12 -0.08 0.00 -0.00 0.00 0.00 31.60 31.63 3f5o h MET 15 CO -0.01 0.66 0.39 1.15 -0.00 0.00 0.00 176.91 179.10 3f5o h THR 16 N 0.73 0.80 -0.01 -0.10 2.02 -1.20 -2.28 112.91 112.87 3f5o h THR 16 Ca 0.17 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3f5o h THR 16 Cb 0.23 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3f5o h THR 16 CO -0.01 0.11 -0.08 0.29 0.37 0.00 0.00 175.52 176.21 3f5o n LYS 17 N -4.86 1.22 -1.67 6.66 5.02 -0.98 -4.83 118.16 118.72 3f5o n LYS 17 Ca 0.14 -0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 55.49 3f5o n LYS 17 Cb 0.34 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f5o s ALA 18 N -2.20 2.37 -0.15 7.82 0.00 -0.86 -4.95 121.76 123.79 3f5o s ALA 18 Ca 0.35 0.65 0.19 0.00 0.00 0.00 0.00 51.96 53.15 3f5o s ALA 18 Cb 0.21 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 3f5o s ALA 18 CO 0.41 -1.44 0.79 0.54 0.00 0.00 0.00 175.76 176.05 3f5o n ARG 19 N -2.48 0.63 -0.52 0.00 1.74 -1.26 -4.57 116.66 110.19 3f5o n ARG 19 Ca 0.11 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.21 3f5o n ARG 19 Cb 0.51 -1.75 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.72 -0.50 0.21 0.55 0.23 -1.26 -4.92 115.26 106.84 3f5o n ASN 20 Ca -0.07 -0.99 0.15 0.00 -0.53 0.00 0.00 54.58 53.13 3f5o n ASN 20 Cb 0.73 -0.34 0.58 0.00 -2.08 0.00 0.00 39.78 38.68 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 -1.51 0.00 0.00 -2.53 3.57 -1.98 -2.63 116.94 111.87 3f5o h PHE 21 Ca -0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3f5o h PHE 21 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3f5o h PHE 21 CO 0.00 0.00 0.01 0.93 -2.23 0.00 0.00 178.31 177.02 3f5o h GLU 22 N 0.00 0.00 0.00 1.11 4.39 -1.92 -2.32 114.58 115.85 3f5o h GLU 22 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3f5o h GLU 22 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3f5o h GLU 22 CO 0.00 0.00 -0.07 0.07 -1.16 0.00 0.00 179.01 177.85 3f5o h ARG 23 N 0.00 0.00 0.00 2.33 0.11 -1.42 -3.25 114.38 112.15 3f5o h ARG 23 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3f5o h ARG 23 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 3f5o h ARG 23 CO 0.00 0.07 0.00 -0.39 0.10 0.00 0.00 179.97 179.75 3f5o h VAL 24 N 0.00 0.00 -3.41 0.08 -1.51 -1.67 -2.48 116.25 107.26 3f5o h VAL 24 Ca -0.00 -0.66 -0.72 0.00 -1.23 0.00 0.00 66.70 64.08 3f5o h VAL 24 Cb 0.40 1.63 -0.25 0.00 -2.13 0.00 0.00 31.29 30.94 3f5o h VAL 24 CO 0.01 0.00 -0.42 -0.76 -1.23 0.00 0.00 177.57 175.17 3f5o s LEU 25 N -5.87 5.28 0.00 4.19 1.43 -1.23 -4.76 118.68 117.72 3f5o s LEU 25 Ca 0.04 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 3f5o s LEU 25 Cb 0.08 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3f5o s LEU 25 CO 0.58 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3f5o n GLY 26 N 5.05 0.00 0.40 -3.19 0.00 -0.93 -4.06 105.19 102.46 3f5o n GLY 26 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3f5o n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f5o n LYS 27 N -1.87 1.14 -3.84 1.61 4.76 -1.26 -4.73 118.16 113.98 3f5o n LYS 27 Ca 0.00 -0.13 -0.27 0.00 -2.87 0.00 0.00 58.31 55.03 3f5o n LYS 27 Cb 0.42 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.36 5.28 -0.12 -0.18 -4.36 -1.26 -4.50 121.20 114.70 3f5o s ILE 28 Ca 0.02 -0.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 3f5o s ILE 28 Cb 0.02 -3.72 -0.01 0.00 1.25 0.00 0.00 42.46 40.00 3f5o s ILE 28 CO 0.01 -0.08 -0.16 -0.89 0.24 0.00 0.00 174.94 174.06 3f5o s THR 29 N -1.75 2.81 -0.18 8.37 2.01 -0.04 -4.97 115.64 121.89 3f5o s THR 29 Ca 0.36 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 3f5o s THR 29 Cb -0.11 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3f5o s THR 29 CO 0.28 0.53 0.91 -0.22 -0.69 0.00 0.00 174.62 175.44 3f5o s LEU 30 N 0.35 4.15 -0.20 4.42 2.96 -1.26 -0.85 118.68 128.25 3f5o s LEU 30 Ca -0.13 1.27 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 3f5o s LEU 30 Cb -0.16 -3.36 -0.21 0.00 0.50 0.00 0.00 46.19 42.95 3f5o s LEU 30 CO 0.07 -0.49 0.04 0.52 -1.32 0.00 0.00 176.35 175.16 3f5o n VAL 31 N 4.93 1.62 -3.68 1.68 0.31 0.62 -4.97 118.33 118.83 3f5o n VAL 31 Ca 0.07 -0.61 -0.12 0.00 -0.01 0.00 0.00 64.34 63.68 3f5o n VAL 31 Cb 0.48 -1.56 -0.09 0.00 -0.91 0.00 0.00 33.84 31.75 3f5o n VAL 31 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3f5o s SER 32 N -6.76 -0.61 -0.08 4.52 0.15 -0.94 -4.98 113.70 105.01 3f5o s SER 32 Ca -0.29 1.11 0.02 0.00 0.70 0.00 0.00 55.95 57.49 3f5o s SER 32 Cb 0.08 1.08 0.01 0.00 -1.71 0.00 0.00 66.02 65.49 3f5o s SER 32 CO 0.68 -0.20 -0.12 0.00 1.20 0.00 0.00 173.24 174.80 3f5o s ALA 33 N 0.67 1.30 0.18 5.45 0.00 -1.26 -0.87 121.76 127.23 3f5o s ALA 33 Ca -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 3f5o s ALA 33 Cb -0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3f5o s ALA 33 CO -0.04 0.02 0.19 0.00 0.00 0.00 0.00 175.76 175.93 3f5o s ALA 34 N 0.84 0.62 -0.45 0.00 0.00 0.30 -4.69 121.76 118.38 3f5o s ALA 34 Ca -0.11 -1.33 -0.38 0.00 0.00 0.00 0.00 51.96 50.13 3f5o s ALA 34 Cb -0.15 1.07 -0.15 0.00 0.00 0.00 0.00 23.12 23.89 3f5o s ALA 34 CO 0.02 -0.61 2.21 -2.30 0.00 0.00 0.00 175.76 175.07 3f5o n PRO 35 N -0.22 0.56 -1.15 0.00 -0.02 -1.26 -1.37 135.00 131.54 3f5o n PRO 35 Ca -0.03 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.54 3f5o n PRO 35 Cb 0.64 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 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 6.93 0.73 3.05 -1.23 0.00 0.63 -4.96 105.19 110.34 3f5o n GLY 36 Ca 0.48 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.93 0.20 -0.02 1.61 2.20 -0.47 -0.68 119.74 120.64 3f5o s LYS 37 Ca 0.00 0.58 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 3f5o s LYS 37 Cb 0.00 -0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3f5o s LYS 37 CO 0.00 -0.19 -0.11 0.08 -0.36 0.00 0.00 175.35 174.77 3f5o s VAL 38 N 1.51 0.91 -0.13 4.02 1.01 -0.29 -0.54 120.40 126.90 3f5o s VAL 38 Ca -0.07 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3f5o s VAL 38 Cb -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.51 3f5o s VAL 38 CO -0.09 0.27 -0.18 -0.63 0.00 0.00 0.00 175.10 174.47 3f5o s ILE 39 N -0.05 1.74 0.33 2.22 1.01 -0.05 -0.55 121.20 125.86 3f5o s ILE 39 Ca 0.01 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.96 3f5o s ILE 39 Cb -0.07 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 3f5o s ILE 39 CO 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 3f5o s GLU 41 N -3.67 0.56 -0.11 0.00 -1.05 -0.03 -0.53 118.70 113.88 3f5o s GLU 41 Ca 0.32 -1.04 -0.09 0.00 -0.15 0.00 0.00 54.97 54.01 3f5o s GLU 41 Cb 0.04 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.83 3f5o s GLU 41 CO 0.15 -0.07 0.28 1.41 0.95 0.00 0.00 175.26 177.98 3f5o s MET 42 N -3.06 0.31 -0.07 -4.83 1.75 -0.35 -0.86 119.30 112.18 3f5o s MET 42 Ca 0.00 0.41 -0.20 0.00 -1.25 0.00 0.00 55.69 54.65 3f5o s MET 42 Cb 0.01 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 3f5o s MET 42 CO -0.06 -0.06 0.57 0.21 -0.65 0.00 0.00 175.02 175.03 3f5o s LYS 43 N 0.31 4.35 -0.21 4.11 2.20 -1.26 -0.52 119.74 128.71 3f5o s LYS 43 Ca -0.01 0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.95 3f5o s LYS 43 Cb -0.03 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 3f5o s LYS 43 CO -0.01 0.20 1.56 0.08 -0.36 0.00 0.00 175.35 176.82 3f5o s VAL 44 N 0.41 3.78 0.46 4.02 1.01 0.24 -4.95 120.40 125.37 3f5o s VAL 44 Ca 0.30 0.89 0.07 0.00 0.00 0.00 0.00 61.98 63.24 3f5o s VAL 44 Cb -0.17 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3f5o s VAL 44 CO 0.14 -0.29 0.37 -1.61 0.00 0.00 0.00 175.10 173.71 3f5o s GLU 45 N 4.49 2.39 0.27 2.72 0.41 -1.26 -0.49 118.70 127.23 3f5o s GLU 45 Ca 0.69 -1.74 0.01 0.00 -0.41 0.00 0.00 54.97 53.52 3f5o s GLU 45 Cb -0.24 -2.24 0.62 0.00 -1.78 0.00 0.00 34.13 30.49 3f5o s GLU 45 CO 0.28 -0.33 1.72 1.49 -0.49 0.00 0.00 175.26 177.92 3f5o h GLU 46 N 0.98 0.46 0.00 1.61 4.57 -1.98 -1.18 114.58 119.04 3f5o h GLU 46 Ca -0.40 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3f5o h GLU 46 Cb 1.28 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3f5o h GLU 46 CO 0.59 0.30 0.00 -0.85 -1.18 0.00 0.00 179.01 177.87 3f5o n GLU 47 N -4.99 0.09 0.00 1.92 0.28 -1.26 -1.58 120.64 115.11 3f5o n GLU 47 Ca 0.19 0.59 0.09 0.00 -0.16 0.00 0.00 57.16 57.87 3f5o n GLU 47 Cb 0.54 -1.80 -0.01 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.00 0.00 -3.39 -1.84 8.25 -0.45 -5.03 115.22 110.77 3f5o n HIS 48 Ca -0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3f5o n HIS 48 Cb 0.02 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.09 4.73 0.07 1.59 -4.23 -0.61 -0.97 115.64 114.13 3f5o s THR 49 Ca 0.14 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 60.03 3f5o s THR 49 Cb 0.14 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.29 3f5o s THR 49 CO 0.46 -0.42 0.10 -0.46 -0.54 0.00 0.00 174.62 173.76 3f5o n ASN 50 N -1.78 0.07 0.29 3.99 0.23 0.53 -4.60 115.26 114.00 3f5o n ASN 50 Ca -0.03 -1.08 0.17 0.00 -0.53 0.00 0.00 54.58 53.11 3f5o n ASN 50 Cb 0.57 -0.07 0.91 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 -1.10 1.18 -0.50 -2.53 0.00 -2.00 -1.97 119.26 112.34 3f5o h ALA 51 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3f5o h ALA 51 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3f5o h ALA 51 CO 0.03 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.78 3f5o n ILE 52 N -3.40 1.08 -0.91 0.00 -5.35 -1.26 -4.99 119.36 104.53 3f5o n ILE 52 Ca -0.02 -1.04 0.00 0.00 -0.27 0.00 0.00 62.75 61.42 3f5o n ILE 52 Cb 0.17 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 0.93 0.47 3.82 3.28 0.00 -0.74 -5.07 105.19 107.89 3f5o n GLY 53 Ca 0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 3.48 0.11 2.61 -4.23 -1.26 -3.01 115.64 111.34 3f5o s THR 54 Ca 0.00 -1.45 -0.32 0.00 -1.18 0.00 0.00 61.69 58.73 3f5o s THR 54 Cb 0.00 -3.15 -0.12 0.00 1.34 0.00 0.00 72.50 70.57 3f5o s THR 54 CO 0.00 -0.19 1.77 -0.11 -0.54 0.00 0.00 174.62 175.55 3f5o n LEU 55 N -1.30 3.71 -4.73 4.79 7.94 0.55 -0.34 117.00 127.61 3f5o n LEU 55 Ca -0.03 1.02 -0.42 0.00 -1.11 0.00 0.00 56.01 55.48 3f5o n LEU 55 Cb 0.60 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 3f5o n LEU 55 CO 0.43 0.02 1.01 -2.28 -1.11 0.00 0.00 177.39 175.46 3f5o s HIS 56 N 2.30 3.25 0.52 1.96 5.65 -0.15 -4.69 115.29 124.13 3f5o s HIS 56 Ca 0.82 1.13 0.18 0.00 0.25 0.00 0.00 55.06 57.45 3f5o s HIS 56 Cb -0.57 -3.63 1.31 0.00 -1.18 0.00 0.00 32.58 28.51 3f5o s HIS 56 CO 0.39 -2.04 2.11 0.78 -0.65 0.00 0.00 174.74 175.33 3f5o h GLY 57 N 5.84 0.00 1.94 1.59 0.00 -1.90 -0.68 103.07 109.87 3f5o h GLY 57 Ca -0.44 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 3f5o h GLY 57 CO 0.80 0.00 -0.75 -1.33 0.00 0.00 0.00 176.54 175.26 3f5o h GLY 58 N 0.00 0.06 1.03 4.60 0.00 -1.97 -1.43 103.07 105.36 3f5o h GLY 58 Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 3f5o h GLY 58 CO -0.00 0.09 -0.30 -2.00 0.00 0.00 0.00 176.54 174.33 3f5o h LEU 59 N 0.04 0.85 -0.53 3.11 7.12 -1.51 0.50 115.31 124.89 3f5o h LEU 59 Ca -0.01 -0.46 0.07 0.00 0.13 0.00 0.00 57.88 57.61 3f5o h LEU 59 Cb 1.32 -0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 41.16 3f5o h LEU 59 CO 0.10 1.13 0.21 0.74 -0.13 0.00 0.00 178.44 180.49 3f5o h THR 60 N 0.58 0.84 -0.58 1.05 2.02 -1.19 0.13 112.91 115.76 3f5o h THR 60 Ca 0.06 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.17 3f5o h THR 60 Cb 0.87 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 3f5o h THR 60 CO 0.08 0.07 0.28 0.00 0.37 0.00 0.00 175.52 176.32 3f5o h ALA 61 N 1.34 0.76 -0.81 6.16 0.00 -1.07 -0.08 119.26 125.56 3f5o h ALA 61 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3f5o h ALA 61 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3f5o h ALA 61 CO -0.24 -0.09 0.47 1.15 0.00 0.00 0.00 179.25 180.55 3f5o h THR 62 N 0.52 1.23 -0.19 0.00 2.02 -0.12 -0.64 112.91 115.73 3f5o h THR 62 Ca 0.27 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3f5o h THR 62 Cb 0.23 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3f5o h THR 62 CO -0.21 0.25 0.11 -0.07 0.37 0.00 0.00 175.52 175.97 3f5o h LEU 63 N 1.11 0.24 -0.29 2.58 3.38 -0.25 0.49 115.31 122.58 3f5o h LEU 63 Ca 0.29 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3f5o h LEU 63 Cb -0.02 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3f5o h LEU 63 CO -0.05 0.24 -0.03 0.58 0.09 0.00 0.00 178.44 179.27 3f5o h VAL 64 N 0.22 0.76 0.13 1.22 2.07 -0.73 -0.42 116.25 119.49 3f5o h VAL 64 Ca 0.07 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3f5o h VAL 64 Cb 0.05 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3f5o h VAL 64 CO -0.01 0.01 -0.06 -0.78 0.02 0.00 0.00 177.57 176.75 3f5o h ASP 65 N 0.04 -0.14 -0.17 0.57 1.82 -0.93 -2.14 116.42 115.48 3f5o h ASP 65 Ca 0.14 -0.11 -0.06 0.00 -0.39 0.00 0.00 57.03 56.60 3f5o h ASP 65 Cb 0.20 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 3f5o h ASP 65 CO -0.26 0.03 -0.14 0.78 -1.61 0.00 0.00 179.24 178.03 3f5o h ASN 66 N -0.31 0.42 0.12 2.28 4.21 -0.85 -2.28 115.58 119.17 3f5o h ASN 66 Ca -0.02 -0.46 -0.18 0.00 1.21 0.00 0.00 56.30 56.85 3f5o h ASN 66 Cb 0.25 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3f5o h ASN 66 CO 0.03 0.79 -0.68 0.40 -1.29 0.00 0.00 177.43 176.68 3f5o h ILE 67 N 0.04 1.34 -0.77 2.81 1.08 -1.14 -0.13 117.51 120.75 3f5o h ILE 67 Ca 0.03 -2.00 -0.03 0.00 -0.39 0.00 0.00 64.86 62.47 3f5o h ILE 67 Cb 0.67 1.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.36 3f5o h ILE 67 CO 0.04 0.61 0.38 0.77 -0.69 0.00 0.00 178.15 179.26 3f5o h SER 68 N 0.37 0.99 -0.74 1.72 4.64 -1.45 -1.04 113.55 118.03 3f5o h SER 68 Ca -0.02 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3f5o h SER 68 Cb 1.25 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 3f5o h SER 68 CO 0.12 0.83 0.33 0.74 -0.87 0.00 0.00 176.83 177.99 3f5o h THR 69 N 1.09 1.24 -0.65 2.95 2.02 -0.76 -2.06 112.91 116.74 3f5o h THR 69 Ca 0.27 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3f5o h THR 69 Cb 0.09 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3f5o h THR 69 CO -0.04 0.30 0.43 0.24 0.37 0.00 0.00 175.52 176.83 3f5o h MET 70 N 1.08 0.86 -1.00 6.66 2.07 -0.54 -0.18 114.93 123.89 3f5o h MET 70 Ca 0.26 -0.05 0.07 0.00 -2.07 0.00 0.00 59.70 57.90 3f5o h MET 70 Cb 0.15 -0.19 -0.07 0.00 -1.87 0.00 0.00 31.60 29.62 3f5o h MET 70 CO -0.03 0.57 0.64 0.00 1.07 0.00 0.00 176.91 179.17 3f5o h ALA 71 N 1.24 1.42 -0.52 6.32 0.00 -0.54 -1.46 119.26 125.71 3f5o h ALA 71 Ca 0.24 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3f5o h ALA 71 Cb -0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3f5o h ALA 71 CO -0.05 0.43 0.03 -0.07 0.00 0.00 0.00 179.25 179.59 3f5o h LEU 72 N 1.16 0.83 -1.78 0.00 -0.00 -0.72 -2.26 115.31 112.54 3f5o h LEU 72 Ca 0.43 -0.20 0.03 0.00 -0.00 0.00 0.00 57.88 58.14 3f5o h LEU 72 Cb 0.17 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 3f5o h LEU 72 CO -0.17 0.87 0.21 -0.07 -0.00 0.00 0.00 178.44 179.28 3f5o h LEU 73 N 0.81 0.25 -3.45 1.67 3.38 -0.05 -2.89 115.31 115.03 3f5o h LEU 73 Ca 0.16 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.84 3f5o h LEU 73 Cb 0.44 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 3f5o h LEU 73 CO 0.02 0.17 0.36 0.00 0.09 0.00 0.00 178.44 179.08 3f5o s THR 75 N -1.99 1.67 0.13 0.00 -4.23 -1.09 -0.27 115.64 109.87 3f5o s THR 75 Ca 0.28 -2.11 -0.31 0.00 -1.18 0.00 0.00 61.69 58.37 3f5o s THR 75 Cb 0.22 -2.54 -0.08 0.00 1.34 0.00 0.00 72.50 71.44 3f5o s THR 75 CO -0.01 -0.24 1.57 -0.33 -0.54 0.00 0.00 174.62 175.06 3f5o h GLU 76 N 2.21 -0.47 -0.73 3.99 4.39 -1.88 -2.14 114.58 119.95 3f5o h GLU 76 Ca -0.40 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.36 3f5o h GLU 76 Cb 1.24 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.95 3f5o h GLU 76 CO 0.68 -0.31 0.46 -0.09 -1.16 0.00 0.00 179.01 178.59 3f5o h ARG 77 N -0.49 0.88 -0.64 2.33 2.43 -1.93 -3.46 114.38 113.49 3f5o h ARG 77 Ca 0.07 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.91 3f5o h ARG 77 Cb 0.64 -0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.88 3f5o h ARG 77 CO -0.47 0.58 -0.25 0.41 -1.51 0.00 0.00 179.97 178.73 3f5o n GLY 78 N -1.30 1.39 3.71 2.80 0.00 -0.81 -4.99 105.19 105.99 3f5o n GLY 78 Ca 0.08 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.41 3.32 0.05 4.61 0.00 -1.26 -4.54 121.76 121.54 3f5o s ALA 79 Ca 0.00 0.20 0.20 0.00 0.00 0.00 0.00 51.96 52.36 3f5o s ALA 79 Cb 0.00 -3.06 0.62 0.00 0.00 0.00 0.00 23.12 20.68 3f5o s ALA 79 CO 0.00 -0.19 1.70 -1.00 0.00 0.00 0.00 175.76 176.27 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 0.10 0.00 -0.87 0.00 0.00 66.00 64.83 3f5o h PRO 80 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3f5o h PRO 80 CO 0.76 0.33 -0.13 0.41 -0.23 0.00 0.00 178.00 179.14 3f5o n GLY 81 N 0.47 -1.56 3.20 1.56 0.00 -1.26 -4.90 105.19 102.70 3f5o n GLY 81 Ca 0.01 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.68 1.43 0.32 1.61 -7.23 -0.01 -4.91 120.40 110.93 3f5o s VAL 82 Ca 0.00 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 3f5o s VAL 82 Cb 0.00 -1.25 -0.11 0.00 0.56 0.00 0.00 36.38 35.58 3f5o s VAL 82 CO 0.00 0.16 1.48 -0.44 -0.31 0.00 0.00 175.10 175.99 3f5o s SER 83 N -1.06 6.48 -0.04 4.85 0.01 -1.26 -0.35 113.70 122.33 3f5o s SER 83 Ca 0.05 2.89 -0.04 0.00 1.31 0.00 0.00 55.95 60.17 3f5o s SER 83 Cb -0.08 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 3f5o s SER 83 CO 0.01 -0.80 -0.09 0.52 0.41 0.00 0.00 173.24 173.30 3f5o n VAL 84 N 1.34 0.66 -4.05 3.43 0.31 0.11 -4.81 118.33 115.33 3f5o n VAL 84 Ca 0.04 0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.26 3f5o n VAL 84 Cb 0.39 -1.65 -0.15 0.00 -0.91 0.00 0.00 33.84 31.53 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 -5.73 0.44 -0.00 4.52 1.01 -1.03 -5.01 116.67 110.87 3f5o s ASP 85 Ca -0.09 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.12 3f5o s ASP 85 Cb 0.03 -0.09 -0.00 0.00 1.01 0.00 0.00 42.92 43.86 3f5o s ASP 85 CO 0.12 0.01 -0.03 -0.32 0.21 0.00 0.00 175.17 175.16 3f5o s MET 86 N 0.16 0.24 0.10 8.23 -2.45 -1.26 -0.95 119.30 123.37 3f5o s MET 86 Ca -0.01 -0.12 0.05 0.00 -1.25 0.00 0.00 55.69 54.35 3f5o s MET 86 Cb -0.04 -0.23 -0.04 0.00 1.25 0.00 0.00 34.83 35.77 3f5o s MET 86 CO -0.00 0.06 -0.12 0.54 1.05 0.00 0.00 175.02 176.55 3f5o s ASN 87 N -0.11 1.67 -0.06 1.11 2.20 -0.32 -4.99 114.94 114.45 3f5o s ASN 87 Ca 0.01 -0.79 -0.04 0.00 -0.94 0.00 0.00 52.86 51.10 3f5o s ASN 87 Cb -0.01 -0.03 0.03 0.00 -2.00 0.00 0.00 41.25 39.24 3f5o s ASN 87 CO -0.00 -0.20 0.14 -0.63 -2.94 0.00 0.00 177.10 173.47 3f5o s ILE 88 N -2.19 -0.02 -0.15 0.54 1.01 -1.26 -1.30 121.20 117.81 3f5o s ILE 88 Ca 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 3f5o s ILE 88 Cb -0.04 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 3f5o s ILE 88 CO 0.01 0.04 -0.11 -0.89 0.00 0.00 0.00 174.94 173.99 3f5o s THR 89 N 0.63 3.09 -0.27 2.92 2.01 0.32 -4.99 115.64 119.34 3f5o s THR 89 Ca -0.05 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 3f5o s THR 89 Cb -0.06 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3f5o s THR 89 CO -0.03 0.50 0.10 -0.31 -0.69 0.00 0.00 174.62 174.19 3f5o s TYR 90 N 0.65 3.12 -0.10 4.92 1.51 -1.26 -1.57 117.35 124.63 3f5o s TYR 90 Ca -0.06 -0.47 0.09 0.00 -1.01 0.00 0.00 57.07 55.62 3f5o s TYR 90 Cb -0.15 -2.28 -0.13 0.00 -0.11 0.00 0.00 41.96 39.29 3f5o s TYR 90 CO 0.02 -0.39 0.03 -1.33 -1.11 0.00 0.00 175.55 172.78 3f5o n MET 91 N 4.94 2.26 -3.69 -0.62 2.81 0.73 -5.00 117.12 118.55 3f5o n MET 91 Ca -0.15 -0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.59 3f5o n MET 91 Cb 0.51 -1.27 -0.08 0.00 -0.71 0.00 0.00 33.22 31.67 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 -4.30 -0.37 0.56 7.83 1.04 -1.02 -4.99 113.70 112.46 3f5o s SER 92 Ca -0.05 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.64 3f5o s SER 92 Cb 0.03 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 3f5o s SER 92 CO 0.42 -0.43 1.02 -2.16 0.98 0.00 0.00 173.24 173.07 3f5o s PRO 93 N -0.98 3.66 -0.17 4.02 0.04 -1.26 -4.61 135.00 135.70 3f5o s PRO 93 Ca -0.10 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 3f5o s PRO 93 Cb -0.04 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3f5o s PRO 93 CO 0.05 -0.52 -0.13 0.00 0.04 0.00 0.00 177.00 176.44 3f5o s ALA 94 N -2.69 2.55 0.40 8.56 0.00 -1.26 -5.00 121.76 124.32 3f5o s ALA 94 Ca 0.60 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 3f5o s ALA 94 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 3f5o s ALA 94 CO 0.38 -0.18 0.65 0.15 0.00 0.00 0.00 175.76 176.76 3f5o s LYS 95 N 1.04 3.53 0.12 0.00 3.01 -1.26 -0.33 119.74 125.86 3f5o s LYS 95 Ca -0.01 -0.06 -0.35 0.00 -1.01 0.00 0.00 55.97 54.54 3f5o s LYS 95 Cb -0.15 -2.54 -0.16 0.00 -1.01 0.00 0.00 37.83 33.98 3f5o s LYS 95 CO -0.03 0.01 1.28 -0.11 0.51 0.00 0.00 175.35 177.01 3f5o n LEU 96 N -1.87 1.67 0.00 3.17 7.94 -1.16 -1.35 117.00 125.40 3f5o n LEU 96 Ca -0.02 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 3f5o n LEU 96 Cb 0.55 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.29 3f5o n LEU 96 CO 0.50 -1.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.29 3f5o n GLY 97 N 2.35 2.79 3.78 -3.96 0.00 0.35 -5.00 105.19 105.51 3f5o n GLY 97 Ca 0.17 0.00 -0.35 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 -0.65 3.71 -0.17 1.61 2.02 -0.46 -4.63 118.70 120.13 3f5o s GLU 98 Ca 0.00 1.51 -0.12 0.00 0.02 0.00 0.00 54.97 56.39 3f5o s GLU 98 Cb 0.00 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 3f5o s GLU 98 CO 0.00 -0.54 0.21 -0.51 0.02 0.00 0.00 175.26 174.45 3f5o s ASP 99 N -1.77 6.35 0.05 -0.19 1.01 -1.26 -0.59 116.67 120.26 3f5o s ASP 99 Ca 0.67 0.40 0.08 0.00 0.71 0.00 0.00 52.55 54.41 3f5o s ASP 99 Cb -0.21 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 3f5o s ASP 99 CO 0.25 0.16 -0.21 0.27 0.21 0.00 0.00 175.17 175.85 3f5o s ILE 100 N 0.26 2.55 -0.17 0.77 -4.36 0.32 -0.78 121.20 119.80 3f5o s ILE 100 Ca 0.13 -1.31 -0.03 0.00 -0.26 0.00 0.00 60.65 59.18 3f5o s ILE 100 Cb -0.12 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 3f5o s ILE 100 CO 0.02 0.31 -0.07 -0.69 0.24 0.00 0.00 174.94 174.75 3f5o s VAL 101 N -0.91 3.43 -0.24 8.37 1.01 0.09 -1.22 120.40 130.94 3f5o s VAL 101 Ca 0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3f5o s VAL 101 Cb -0.10 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 3f5o s VAL 101 CO 0.05 0.48 -0.02 -0.63 0.00 0.00 0.00 175.10 174.97 3f5o s ILE 102 N 0.73 3.41 -0.21 2.22 1.09 0.31 -0.65 121.20 128.10 3f5o s ILE 102 Ca -0.03 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 58.92 3f5o s ILE 102 Cb -0.15 -2.61 0.01 0.00 -1.06 0.00 0.00 42.46 38.65 3f5o s ILE 102 CO 0.02 0.33 -0.13 -0.89 -0.10 0.00 0.00 174.94 174.18 3f5o s THR 103 N 1.46 2.58 -0.08 2.92 2.01 0.10 -0.70 115.64 123.93 3f5o s THR 103 Ca 0.04 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.20 3f5o s THR 103 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 3f5o s THR 103 CO -0.02 0.42 -0.11 0.00 -0.69 0.00 0.00 174.62 174.22 3f5o s ALA 104 N 1.34 2.76 -0.04 7.40 0.00 0.29 -0.95 121.76 132.56 3f5o s ALA 104 Ca 0.04 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3f5o s ALA 104 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3f5o s ALA 104 CO -0.08 0.46 -0.13 -1.01 0.00 0.00 0.00 175.76 174.99 3f5o s HIS 105 N -0.42 1.38 -0.22 0.00 3.76 0.13 -1.14 115.29 118.78 3f5o s HIS 105 Ca 0.05 -0.38 -0.27 0.00 -0.15 0.00 0.00 55.06 54.31 3f5o s HIS 105 Cb -0.12 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.62 3f5o s HIS 105 CO 0.02 -0.14 0.93 0.08 -0.85 0.00 0.00 174.74 174.79 3f5o s VAL 106 N 0.13 4.77 0.01 -0.90 1.01 0.14 -1.01 120.40 124.55 3f5o s VAL 106 Ca -0.04 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 3f5o s VAL 106 Cb -0.10 -4.22 -0.32 0.00 0.00 0.00 0.00 36.38 31.74 3f5o s VAL 106 CO 0.01 -0.11 0.92 -0.07 0.00 0.00 0.00 175.10 175.86 3f5o h LEU 107 N 9.15 0.62 -7.00 3.92 3.38 -0.92 -3.48 115.31 120.98 3f5o h LEU 107 Ca -0.22 -0.75 0.02 0.00 0.09 0.00 0.00 57.88 57.02 3f5o h LEU 107 Cb 1.08 -0.20 -0.24 0.00 0.09 0.00 0.00 40.66 41.39 3f5o h LEU 107 CO 0.92 1.61 0.34 -0.75 0.09 0.00 0.00 178.44 180.64 3f5o s LYS 108 N -2.61 0.62 -0.03 1.13 2.47 -1.17 -5.00 119.74 115.15 3f5o s LYS 108 Ca -0.10 0.74 0.05 0.00 -1.56 0.00 0.00 55.97 55.11 3f5o s LYS 108 Cb 0.06 0.30 -0.01 0.00 -1.46 0.00 0.00 37.83 36.72 3f5o s LYS 108 CO 0.89 -0.07 -0.20 -0.65 0.16 0.00 0.00 175.35 175.48 3f5o s GLN 109 N 0.28 1.81 0.00 4.03 -0.21 -1.26 -0.86 119.66 123.44 3f5o s GLN 109 Ca 0.02 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.70 3f5o s GLN 109 Cb -0.05 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.32 3f5o s GLN 109 CO -0.04 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 3f5o n GLY 110 N 2.85 4.67 0.33 3.09 0.00 -0.00 -5.01 105.19 111.11 3f5o n GLY 110 Ca -0.17 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 1.09 0.00 1.61 1.57 -2.01 -3.36 116.57 115.47 3f5o h LYS 111 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3f5o h LYS 111 Cb 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.06 3f5o h LYS 111 CO 0.00 0.72 -0.29 0.25 -0.57 0.00 0.00 179.45 179.56 3f5o n THR 112 N -4.52 0.00 -4.52 -0.16 -2.24 -1.26 -4.78 114.28 96.80 3f5o n THR 112 Ca 0.10 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 3f5o n THR 112 Cb 0.04 0.72 -0.15 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 -1.63 2.06 0.01 3.22 1.43 -1.26 0.27 118.68 122.78 3f5o s LEU 113 Ca 0.00 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3f5o s LEU 113 Cb 0.00 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 3f5o s LEU 113 CO 0.00 0.13 -0.11 0.00 0.23 0.00 0.00 176.35 176.60 3f5o s ALA 114 N -0.43 0.92 -0.08 4.21 0.00 -0.14 -0.82 121.76 125.41 3f5o s ALA 114 Ca 0.04 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.44 3f5o s ALA 114 Cb -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 3f5o s ALA 114 CO -0.00 0.18 -0.23 -0.06 0.00 0.00 0.00 175.76 175.66 3f5o s PHE 115 N -0.58 2.36 0.10 0.00 0.40 -0.04 -0.87 117.98 119.36 3f5o s PHE 115 Ca 0.01 -0.87 0.02 0.00 -0.60 0.00 0.00 56.93 55.49 3f5o s PHE 115 Cb -0.06 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 3f5o s PHE 115 CO 0.00 -0.33 -0.06 0.95 0.70 0.00 0.00 175.22 176.48 3f5o s THR 116 N 0.21 0.70 0.04 0.64 -4.23 0.08 -0.19 115.64 112.88 3f5o s THR 116 Ca -0.13 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3f5o s THR 116 Cb -0.16 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 3f5o s THR 116 CO 0.07 -0.85 -0.09 -0.55 -0.54 0.00 0.00 174.62 172.65 3f5o s SER 117 N -3.05 1.06 -0.03 3.99 0.15 -0.18 -1.15 113.70 114.49 3f5o s SER 117 Ca 0.13 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.31 3f5o s SER 117 Cb 0.05 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 3f5o s SER 117 CO -0.04 -0.10 -0.00 -0.69 1.20 0.00 0.00 173.24 173.60 3f5o s VAL 118 N -1.07 0.19 -0.09 4.45 1.01 -0.06 -0.69 120.40 124.14 3f5o s VAL 118 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3f5o s VAL 118 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3f5o s VAL 118 CO 0.01 0.14 -0.05 -1.81 0.00 0.00 0.00 175.10 173.38 3f5o s ASP 119 N 0.89 4.75 -0.17 3.32 1.01 -0.13 -0.70 116.67 125.64 3f5o s ASP 119 Ca -0.09 -0.02 -0.01 0.00 0.71 0.00 0.00 52.55 53.13 3f5o s ASP 119 Cb -0.12 -1.33 -0.01 0.00 1.01 0.00 0.00 42.92 42.46 3f5o s ASP 119 CO -0.01 0.33 -0.11 -0.76 0.21 0.00 0.00 175.17 174.83 3f5o s LEU 120 N -0.59 2.73 0.05 1.23 1.02 -0.23 -0.72 118.68 122.17 3f5o s LEU 120 Ca 0.09 -0.38 0.06 0.00 0.02 0.00 0.00 54.13 53.92 3f5o s LEU 120 Cb -0.12 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 3f5o s LEU 120 CO 0.02 0.08 -0.17 -0.89 0.02 0.00 0.00 176.35 175.41 3f5o s THR 121 N 0.83 1.38 -0.09 5.49 2.01 0.17 0.03 115.64 125.46 3f5o s THR 121 Ca -0.03 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 3f5o s THR 121 Cb -0.15 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3f5o s THR 121 CO 0.01 0.07 1.22 0.21 -0.69 0.00 0.00 174.62 175.44 3f5o s ASN 122 N -1.23 7.02 0.30 3.53 3.84 0.07 -0.73 114.94 127.73 3f5o s ASN 122 Ca 0.04 1.77 0.01 0.00 0.21 0.00 0.00 52.86 54.89 3f5o s ASN 122 Cb -0.08 -2.55 0.47 0.00 -0.55 0.00 0.00 41.25 38.53 3f5o s ASN 122 CO 0.02 -0.64 1.85 0.50 -2.79 0.00 0.00 177.10 176.03 3f5o h LYS 123 N 7.70 0.74 -0.52 0.43 3.64 -1.29 0.38 116.57 127.64 3f5o h LYS 123 Ca -0.31 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 58.83 3f5o h LYS 123 Cb 1.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 3f5o h LYS 123 CO 0.91 0.68 -0.03 0.00 -2.27 0.00 0.00 179.45 178.74 3f5o h ALA 124 N 1.40 0.71 0.00 5.00 0.00 -1.92 -3.34 119.26 121.12 3f5o h ALA 124 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3f5o h ALA 124 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3f5o h ALA 124 CO 0.00 0.56 -0.74 0.25 0.00 0.00 0.00 179.25 179.32 3f5o n THR 125 N -4.26 0.00 -0.88 0.00 -2.24 -1.16 -4.99 114.28 100.75 3f5o n THR 125 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3f5o n THR 125 Cb 0.35 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.50 0.53 3.75 3.38 0.00 0.13 -4.99 105.19 109.50 3f5o n GLY 126 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3f5o n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f5o s LYS 127 N -0.48 4.81 0.11 1.61 1.02 -1.25 -4.68 119.74 120.87 3f5o s LYS 127 Ca 0.00 1.52 -0.31 0.00 0.02 0.00 0.00 55.97 57.20 3f5o s LYS 127 Cb 0.00 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 3f5o s LYS 127 CO 0.00 0.46 1.70 -0.51 -0.92 0.00 0.00 175.35 176.08 3f5o s LEU 128 N -1.29 4.38 -0.14 3.17 1.43 -1.26 -0.75 118.68 124.21 3f5o s LEU 128 Ca 0.42 2.62 -0.23 0.00 -1.03 0.00 0.00 54.13 55.91 3f5o s LEU 128 Cb -0.26 -3.57 -0.25 0.00 0.03 0.00 0.00 46.19 42.14 3f5o s LEU 128 CO 0.33 -0.92 0.56 0.40 0.23 0.00 0.00 176.35 176.95 3f5o h ILE 129 N 4.59 1.33 -3.01 -0.59 2.04 -0.65 -3.32 117.51 117.90 3f5o h ILE 129 Ca -0.44 -2.32 -0.04 0.00 1.00 0.00 0.00 64.86 63.06 3f5o h ILE 129 Cb 1.21 2.86 -0.13 0.00 -0.74 0.00 0.00 36.82 40.02 3f5o h ILE 129 CO 0.94 0.55 0.12 0.00 0.00 0.00 0.00 178.15 179.75 3f5o s ALA 130 N -2.34 -1.41 -0.01 1.87 0.00 -1.09 -0.19 121.76 118.59 3f5o s ALA 130 Ca -0.22 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3f5o s ALA 130 Cb 0.02 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 3f5o s ALA 130 CO 0.69 -0.68 -0.06 -1.14 0.00 0.00 0.00 175.76 174.56 3f5o s GLN 131 N -3.44 0.57 0.13 0.00 0.74 -0.61 -1.06 119.66 115.99 3f5o s GLN 131 Ca -0.00 -0.22 0.04 0.00 0.05 0.00 0.00 55.36 55.23 3f5o s GLN 131 Cb -0.00 -0.56 -0.04 0.00 1.10 0.00 0.00 33.01 33.51 3f5o s GLN 131 CO -0.10 0.12 -0.10 0.20 -0.55 0.00 0.00 175.29 174.86 3f5o s GLY 132 N -0.02 0.97 0.09 2.59 0.00 0.12 -0.52 107.32 110.54 3f5o s GLY 132 Ca 0.01 -1.40 0.07 0.00 0.00 0.00 0.00 44.72 43.40 3f5o s GLY 132 CO -0.00 -1.49 -0.17 -1.60 0.00 0.00 0.00 173.10 169.83 3f5o s ARG 133 N -3.53 0.98 -0.14 2.90 3.52 -0.42 -0.88 118.95 121.38 3f5o s ARG 133 Ca 0.13 -1.07 -0.05 0.00 -0.13 0.00 0.00 55.73 54.61 3f5o s ARG 133 Cb 0.02 -1.10 0.07 0.00 -1.56 0.00 0.00 34.95 32.37 3f5o s ARG 133 CO -0.00 0.25 0.28 -1.58 -0.81 0.00 0.00 175.30 173.44 3f5o s HIS 134 N -1.27 -0.47 -0.15 5.12 5.65 -0.30 -1.17 115.29 122.70 3f5o s HIS 134 Ca 0.03 1.04 -0.04 0.00 0.25 0.00 0.00 55.06 56.34 3f5o s HIS 134 Cb -0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 32.58 31.28 3f5o s HIS 134 CO 0.03 -0.37 -0.02 0.99 -0.65 0.00 0.00 174.74 174.73 3f5o s THR 135 N 2.44 4.09 0.08 0.89 2.01 -0.13 -0.75 115.64 124.29 3f5o s THR 135 Ca 0.01 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.79 3f5o s THR 135 Cb -0.12 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3f5o s THR 135 CO -0.09 0.50 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.61 3f5o s LYS 136 N 0.18 1.12 -0.18 4.92 1.02 -0.05 -0.71 119.74 126.05 3f5o s LYS 136 Ca -0.00 -1.06 -0.09 0.00 0.02 0.00 0.00 55.97 54.84 3f5o s LYS 136 Cb -0.13 -1.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 3f5o s LYS 136 CO 0.02 0.31 0.11 -1.58 -0.92 0.00 0.00 175.35 173.29 3f5o s HIS 137 N -1.07 3.39 -0.11 3.18 5.65 0.53 -0.97 115.29 125.89 3f5o s HIS 137 Ca 0.05 0.29 -0.04 0.00 0.25 0.00 0.00 55.06 55.60 3f5o s HIS 137 Cb -0.10 -2.10 -0.04 0.00 -1.18 0.00 0.00 32.58 29.17 3f5o s HIS 137 CO 0.03 0.32 0.06 -0.51 -0.65 0.00 0.00 174.74 174.00 3f5o s LEU 138 N 0.13 3.94 0.00 8.88 1.43 0.14 -0.83 118.68 132.37 3f5o s LEU 138 Ca 0.08 0.27 0.21 0.00 -1.03 0.00 0.00 54.13 53.66 3f5o s LEU 138 Cb -0.11 -1.93 1.25 0.00 0.03 0.00 0.00 46.19 45.42 3f5o s LEU 138 CO -0.00 0.37 1.63 0.61 0.23 0.00 0.00 176.35 179.19