#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5o h MET 4 N 0.00 0.00 -0.01 1.43 3.00 -1.98 -1.41 114.93 115.95 3f5o h MET 4 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.70 3f5o h MET 4 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 31.60 3f5o h MET 4 CO 0.00 0.06 -0.01 1.15 0.00 0.00 0.00 176.91 178.11 3f5o h THR 5 N 0.00 1.37 -1.00 -0.10 2.02 -1.99 0.90 112.91 114.12 3f5o h THR 5 Ca -0.00 -1.11 0.07 0.00 0.77 0.00 0.00 66.41 66.14 3f5o h THR 5 Cb 0.29 2.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.74 3f5o h THR 5 CO 0.01 0.29 0.64 1.56 0.37 0.00 0.00 175.52 178.39 3f5o h GLN 6 N -0.44 1.11 -0.20 6.66 4.20 -1.93 -0.88 115.11 123.62 3f5o h GLN 6 Ca 0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3f5o h GLN 6 Cb 0.48 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3f5o h GLN 6 CO 0.00 0.73 -0.02 1.03 -0.67 0.00 0.00 178.83 179.90 3f5o h SER 7 N 1.14 0.37 0.08 1.46 0.87 -1.19 -2.81 113.55 113.48 3f5o h SER 7 Ca 0.44 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3f5o h SER 7 Cb 0.22 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3f5o h SER 7 CO -0.19 0.62 -0.23 0.25 -0.53 0.00 0.00 176.83 176.75 3f5o h LEU 8 N 0.11 0.26 -0.98 2.23 5.85 -0.58 -1.57 115.31 120.63 3f5o h LEU 8 Ca 0.05 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3f5o h LEU 8 Cb 0.44 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3f5o h LEU 8 CO 0.01 0.51 0.42 0.03 -0.34 0.00 0.00 178.44 179.07 3f5o h ARG 9 N 0.24 1.14 -0.48 1.25 3.08 -1.13 -1.20 114.38 117.28 3f5o h ARG 9 Ca 0.04 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 3f5o h ARG 9 Cb 0.55 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3f5o h ARG 9 CO 0.04 0.85 -0.22 0.93 -1.07 0.00 0.00 179.97 180.50 3f5o h GLU 10 N 1.14 1.00 -0.54 0.04 5.08 -1.08 -0.59 114.58 119.64 3f5o h GLU 10 Ca 0.28 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3f5o h GLU 10 Cb 0.07 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3f5o h GLU 10 CO -0.04 1.11 0.26 0.28 -1.00 0.00 0.00 179.01 179.62 3f5o h VAL 11 N 0.86 0.92 -0.37 3.13 2.07 -1.13 0.71 116.25 122.43 3f5o h VAL 11 Ca 0.11 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3f5o h VAL 11 Cb 0.81 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3f5o h VAL 11 CO 0.07 0.09 0.09 0.40 0.02 0.00 0.00 177.57 178.23 3f5o h ILE 12 N 0.49 1.23 -0.87 4.57 2.04 -0.93 0.35 117.51 124.39 3f5o h ILE 12 Ca 0.24 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.41 3f5o h ILE 12 Cb 0.19 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 3f5o h ILE 12 CO -0.19 0.27 0.53 0.50 0.00 0.00 0.00 178.15 179.25 3f5o h LYS 13 N 0.45 0.88 -0.48 2.37 3.64 -0.80 -1.14 116.57 121.50 3f5o h LYS 13 Ca 0.12 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3f5o h LYS 13 Cb 0.31 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3f5o h LYS 13 CO 0.00 0.58 0.16 0.00 -2.27 0.00 0.00 179.45 177.93 3f5o h ALA 14 N 1.45 0.63 -0.68 5.00 0.00 -0.22 -2.82 119.26 122.61 3f5o h ALA 14 Ca 0.40 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3f5o h ALA 14 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3f5o h ALA 14 CO -0.22 0.27 0.43 0.52 0.00 0.00 0.00 179.25 180.25 3f5o h MET 15 N 0.64 0.83 -0.50 0.00 2.86 -0.21 -2.12 114.93 116.42 3f5o h MET 15 Ca 0.16 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 3f5o h MET 15 Cb 0.25 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3f5o h MET 15 CO -0.01 0.55 0.16 1.79 1.06 0.00 0.00 176.91 180.46 3f5o h THR 16 N 0.85 0.80 -0.05 2.22 1.35 -0.98 -2.45 112.91 114.65 3f5o h THR 16 Ca 0.27 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3f5o h THR 16 Cb -0.01 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 3f5o h THR 16 CO -0.09 0.06 0.00 2.29 -0.25 0.00 0.00 175.52 177.52 3f5o n LYS 17 N -5.03 1.81 -1.62 4.72 0.00 -1.10 -4.85 118.16 112.09 3f5o n LYS 17 Ca 0.05 -1.19 -0.38 0.00 -0.00 0.00 0.00 58.31 56.80 3f5o n LYS 17 Cb 0.21 -1.47 0.05 0.00 -0.00 0.00 0.00 35.03 33.83 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3f5o n ALA 18 N 0.43 0.23 0.07 0.58 0.00 -0.82 -4.95 120.51 116.05 3f5o n ALA 18 Ca 0.18 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.67 3f5o n ALA 18 Cb 0.40 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 3f5o n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f5o h ARG 19 N 0.51 0.00 0.00 0.00 3.08 -1.92 -3.42 114.38 112.64 3f5o h ARG 19 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3f5o h ARG 19 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3f5o h ARG 19 CO 0.51 0.22 0.00 0.27 -1.07 0.00 0.00 179.97 179.90 3f5o n ASN 20 N -2.87 0.00 0.22 7.04 0.23 -1.26 -4.90 115.26 113.72 3f5o n ASN 20 Ca -0.05 -0.77 0.15 0.00 -0.53 0.00 0.00 54.58 53.38 3f5o n ASN 20 Cb 0.74 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 39.06 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 -0.70 0.00 0.00 -2.53 3.57 -1.99 -2.50 116.94 112.79 3f5o h PHE 21 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3f5o h PHE 21 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3f5o h PHE 21 CO 0.00 0.00 -0.00 0.93 -2.23 0.00 0.00 178.31 177.01 3f5o h GLU 22 N 0.00 0.00 -0.02 1.11 4.39 -1.91 -2.41 114.58 115.74 3f5o h GLU 22 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3f5o h GLU 22 Cb 0.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3f5o h GLU 22 CO 0.00 0.00 0.06 0.07 -1.16 0.00 0.00 179.01 177.98 3f5o h ARG 23 N 0.00 0.00 0.00 2.33 0.11 -1.46 -2.98 114.38 112.38 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 0.00 0.00 -0.39 0.10 0.00 0.00 179.97 179.68 3f5o h VAL 24 N 0.00 0.00 -0.52 0.08 -1.51 -1.68 -2.30 116.25 110.31 3f5o h VAL 24 Ca 0.01 -0.31 -0.15 0.00 -1.23 0.00 0.00 66.70 65.01 3f5o h VAL 24 Cb 0.13 1.12 -0.09 0.00 -2.13 0.00 0.00 31.29 30.32 3f5o h VAL 24 CO -0.00 0.00 0.13 0.18 -1.23 0.00 0.00 177.57 176.65 3f5o n LEU 25 N -2.37 5.05 0.30 4.19 4.77 -1.13 -4.69 117.00 123.12 3f5o n LEU 25 Ca 0.02 -3.29 0.18 0.00 -0.03 0.00 0.00 56.01 52.89 3f5o n LEU 25 Cb 0.27 -0.67 0.88 0.00 -2.33 0.00 0.00 43.42 41.58 3f5o n LEU 25 CO 0.22 0.87 1.05 1.23 -1.33 0.00 0.00 177.39 179.44 3f5o h GLY 26 N 2.02 0.00 0.77 -0.72 0.00 -1.59 -2.62 103.07 100.93 3f5o h GLY 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3f5o h GLY 26 CO 0.52 0.00 -0.27 0.28 0.00 0.00 0.00 176.54 177.08 3f5o n LYS 27 N -3.22 0.49 -1.84 4.80 5.02 -1.26 -4.63 118.16 117.53 3f5o n LYS 27 Ca -0.01 -0.25 -0.34 0.00 -2.02 0.00 0.00 58.31 55.69 3f5o n LYS 27 Cb 0.21 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3f5o n LYS 27 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3f5o s ILE 28 N -2.68 3.10 0.04 -0.18 -4.36 -0.99 -4.72 121.20 111.42 3f5o s ILE 28 Ca 0.21 0.56 0.07 0.00 -0.26 0.00 0.00 60.65 61.23 3f5o s ILE 28 Cb 0.19 -3.10 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 3f5o s ILE 28 CO 0.56 -0.27 -0.20 0.42 0.24 0.00 0.00 174.94 175.69 3f5o s THR 29 N -2.15 1.60 -0.10 8.37 -4.23 0.26 -4.97 115.64 114.42 3f5o s THR 29 Ca 0.69 -1.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 3f5o s THR 29 Cb -0.22 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 3f5o s THR 29 CO 0.38 0.17 0.80 -0.22 -0.54 0.00 0.00 174.62 175.22 3f5o s LEU 30 N -1.20 4.27 -0.23 4.79 2.96 -1.26 -0.23 118.68 127.77 3f5o s LEU 30 Ca 0.07 1.26 -0.17 0.00 -0.22 0.00 0.00 54.13 55.07 3f5o s LEU 30 Cb -0.09 -3.23 -0.17 0.00 0.50 0.00 0.00 46.19 43.20 3f5o s LEU 30 CO 0.02 -0.26 -0.00 0.52 -1.32 0.00 0.00 176.35 175.30 3f5o n VAL 31 N 4.21 1.55 -3.54 1.68 0.31 0.36 -4.92 118.33 117.97 3f5o n VAL 31 Ca 0.02 -0.22 -0.16 0.00 -0.01 0.00 0.00 64.34 63.98 3f5o n VAL 31 Cb 0.50 -1.94 -0.06 0.00 -0.91 0.00 0.00 33.84 31.43 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 -7.09 -0.57 -0.04 4.52 1.04 -0.96 -4.99 113.70 105.60 3f5o s SER 32 Ca -0.32 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.61 3f5o s SER 32 Cb 0.09 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.74 3f5o s SER 32 CO 0.57 -0.66 -0.11 0.00 0.98 0.00 0.00 173.24 174.01 3f5o s ALA 33 N -1.75 1.07 0.21 5.32 0.00 -1.26 -1.51 121.76 123.83 3f5o s ALA 33 Ca -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 3f5o s ALA 33 Cb -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3f5o s ALA 33 CO 0.05 0.15 0.23 0.00 0.00 0.00 0.00 175.76 176.19 3f5o s ALA 34 N 0.30 0.74 -0.13 0.00 0.00 0.39 -4.86 121.76 118.21 3f5o s ALA 34 Ca -0.06 -1.45 -0.34 0.00 0.00 0.00 0.00 51.96 50.11 3f5o s ALA 34 Cb -0.11 1.27 -0.11 0.00 0.00 0.00 0.00 23.12 24.17 3f5o s ALA 34 CO 0.01 -0.66 1.94 -2.30 0.00 0.00 0.00 175.76 174.76 3f5o n PRO 35 N -0.29 2.05 -1.36 0.00 -0.02 -1.26 -1.27 135.00 132.86 3f5o n PRO 35 Ca 0.01 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3f5o n PRO 35 Cb 0.65 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.73 1.28 2.99 -1.23 0.00 0.79 -4.96 105.19 108.79 3f5o n GLY 36 Ca 0.25 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.95 0.15 -0.03 1.61 2.20 -0.39 -0.50 119.74 119.82 3f5o s LYS 37 Ca 0.00 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 3f5o s LYS 37 Cb 0.00 -0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 3f5o s LYS 37 CO 0.00 -0.22 -0.08 0.08 -0.36 0.00 0.00 175.35 174.77 3f5o s VAL 38 N 1.76 0.70 -0.13 4.02 1.01 -0.43 -0.46 120.40 126.87 3f5o s VAL 38 Ca -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3f5o s VAL 38 Cb -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3f5o s VAL 38 CO -0.08 0.24 -0.19 -0.63 0.00 0.00 0.00 175.10 174.43 3f5o s ILE 39 N 0.40 2.37 0.34 2.22 1.01 -0.57 -0.77 121.20 126.20 3f5o s ILE 39 Ca -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.78 3f5o s ILE 39 Cb -0.10 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.34 3f5o s ILE 39 CO 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 174.94 175.44 3f5o s GLU 41 N -3.70 0.89 -0.10 0.00 2.02 0.67 -0.46 118.70 118.03 3f5o s GLU 41 Ca 0.33 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 54.07 3f5o s GLU 41 Cb 0.05 -0.72 0.03 0.00 0.10 0.00 0.00 34.13 33.60 3f5o s GLU 41 CO 0.16 0.13 0.31 1.41 0.02 0.00 0.00 175.26 177.28 3f5o s MET 42 N -2.50 0.40 -0.13 1.61 1.75 -0.37 -0.58 119.30 119.48 3f5o s MET 42 Ca 0.05 0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 54.66 3f5o s MET 42 Cb -0.05 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.77 3f5o s MET 42 CO 0.02 -0.06 0.42 0.21 -0.65 0.00 0.00 175.02 174.95 3f5o s LYS 43 N -0.04 4.31 -0.20 4.11 2.20 -1.26 -0.09 119.74 128.76 3f5o s LYS 43 Ca -0.02 0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 55.64 3f5o s LYS 43 Cb -0.03 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 3f5o s LYS 43 CO 0.01 0.19 1.60 0.08 -0.36 0.00 0.00 175.35 176.86 3f5o s VAL 44 N 0.55 3.72 0.48 4.02 1.01 -0.05 -4.95 120.40 125.18 3f5o s VAL 44 Ca 0.23 0.82 0.05 0.00 0.00 0.00 0.00 61.98 63.08 3f5o s VAL 44 Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3f5o s VAL 44 CO 0.08 -0.26 0.17 -1.61 0.00 0.00 0.00 175.10 173.48 3f5o s GLU 45 N 4.53 2.20 0.28 2.72 0.41 -1.26 -0.54 118.70 127.04 3f5o s GLU 45 Ca 0.70 -2.10 0.01 0.00 -0.41 0.00 0.00 54.97 53.18 3f5o s GLU 45 Cb -0.26 -1.83 0.55 0.00 -1.78 0.00 0.00 34.13 30.81 3f5o s GLU 45 CO 0.28 -0.32 1.82 1.49 -0.49 0.00 0.00 175.26 178.04 3f5o h GLU 46 N 1.25 0.91 0.00 1.61 4.81 -1.98 -0.76 114.58 120.42 3f5o h GLU 46 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3f5o h GLU 46 Cb 1.29 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3f5o h GLU 46 CO 0.69 0.60 0.00 1.05 -0.73 0.00 0.00 179.01 180.62 3f5o h GLU 47 N 0.93 0.00 -0.01 1.92 9.09 -1.99 -1.80 114.58 122.72 3f5o h GLU 47 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3f5o h GLU 47 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 3f5o h GLU 47 CO -0.28 0.00 -0.53 0.72 0.05 0.00 0.00 179.01 178.97 3f5o n HIS 48 N -2.63 0.00 -3.44 2.06 8.25 -0.29 -5.01 115.22 114.16 3f5o n HIS 48 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 3f5o n HIS 48 Cb 0.12 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.63 4.35 0.32 1.59 -4.23 -0.68 -1.56 115.64 112.79 3f5o s THR 49 Ca 0.17 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3f5o s THR 49 Cb 0.18 -3.54 0.06 0.00 1.34 0.00 0.00 72.50 70.54 3f5o s THR 49 CO 0.63 -0.26 0.43 -0.46 -0.54 0.00 0.00 174.62 174.42 3f5o n ASN 50 N -1.71 0.51 0.00 3.99 0.23 -0.14 -4.63 115.26 113.50 3f5o n ASN 50 Ca -0.02 -1.45 0.06 0.00 -0.53 0.00 0.00 54.58 52.65 3f5o n ASN 50 Cb 0.58 -0.29 0.30 0.00 -2.08 0.00 0.00 39.78 38.29 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 -3.01 1.66 -0.23 -2.53 0.00 -1.26 -2.04 120.51 113.10 3f5o n ALA 51 Ca -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.38 3f5o n ALA 51 Cb 0.25 -1.21 0.17 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.41 1.08 -1.25 0.00 -5.35 -1.26 -4.99 119.36 106.18 3f5o n ILE 52 Ca 0.04 -1.05 -0.04 0.00 -0.27 0.00 0.00 62.75 61.43 3f5o n ILE 52 Cb 0.13 0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 38.47 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 0.49 0.65 3.75 3.28 0.00 -0.87 -5.06 105.19 107.42 3f5o n GLY 53 Ca 0.13 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.17 2.74 0.13 2.61 -4.23 -1.26 -2.72 115.64 110.74 3f5o s THR 54 Ca 0.00 -1.67 -0.32 0.00 -1.18 0.00 0.00 61.69 58.52 3f5o s THR 54 Cb 0.00 -2.98 -0.12 0.00 1.34 0.00 0.00 72.50 70.74 3f5o s THR 54 CO 0.00 -0.11 1.76 -0.11 -0.54 0.00 0.00 174.62 175.62 3f5o n LEU 55 N -1.21 3.74 -4.73 4.79 7.94 0.84 -0.97 117.00 127.39 3f5o n LEU 55 Ca -0.02 1.02 -0.42 0.00 -1.11 0.00 0.00 56.01 55.49 3f5o n LEU 55 Cb 0.62 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 3f5o n LEU 55 CO 0.44 0.04 1.13 -2.28 -1.11 0.00 0.00 177.39 175.60 3f5o s HIS 56 N 2.11 3.09 0.55 1.96 5.65 -0.60 -4.72 115.29 123.32 3f5o s HIS 56 Ca 0.81 0.91 0.22 0.00 0.25 0.00 0.00 55.06 57.25 3f5o s HIS 56 Cb -0.56 -3.81 1.50 0.00 -1.18 0.00 0.00 32.58 28.53 3f5o s HIS 56 CO 0.38 -2.79 2.18 0.78 -0.65 0.00 0.00 174.74 174.64 3f5o h GLY 57 N 5.87 0.00 1.52 1.59 0.00 -1.91 -1.20 103.07 108.94 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 0.83 0.00 -0.56 -1.33 0.00 0.00 0.00 176.54 175.48 3f5o h GLY 58 N 0.00 0.55 1.04 4.60 0.00 -1.97 -1.49 103.07 105.79 3f5o h GLY 58 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 3f5o h GLY 58 CO -0.00 0.58 -0.01 -2.00 0.00 0.00 0.00 176.54 175.11 3f5o h LEU 59 N 0.38 0.93 -0.57 3.11 5.85 -1.59 -0.93 115.31 122.49 3f5o h LEU 59 Ca 0.00 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3f5o h LEU 59 Cb 1.10 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 3f5o h LEU 59 CO 0.10 1.02 0.30 0.74 -0.34 0.00 0.00 178.44 180.26 3f5o h THR 60 N 0.83 0.97 -0.92 1.05 2.02 -1.27 0.15 112.91 115.74 3f5o h THR 60 Ca 0.15 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3f5o h THR 60 Cb 0.55 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 3f5o h THR 60 CO 0.03 0.11 0.60 0.00 0.37 0.00 0.00 175.52 176.63 3f5o h ALA 61 N 1.30 1.41 -0.40 6.16 0.00 -1.10 -0.65 119.26 125.97 3f5o h ALA 61 Ca 0.25 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3f5o h ALA 61 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3f5o h ALA 61 CO -0.16 0.50 -0.30 1.15 0.00 0.00 0.00 179.25 180.44 3f5o h THR 62 N 1.16 1.27 -0.43 0.00 2.02 -0.07 -0.31 112.91 116.55 3f5o h THR 62 Ca 0.36 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 66.09 3f5o h THR 62 Cb 0.00 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3f5o h THR 62 CO -0.11 0.49 0.26 -0.07 0.37 0.00 0.00 175.52 176.46 3f5o h LEU 63 N 0.74 0.42 -0.19 2.58 3.38 -0.39 0.15 115.31 121.99 3f5o h LEU 63 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3f5o h LEU 63 Cb 0.88 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3f5o h LEU 63 CO 0.08 0.30 0.00 0.58 0.09 0.00 0.00 178.44 179.49 3f5o h VAL 64 N 0.52 0.87 0.62 1.22 2.07 -0.81 -0.47 116.25 120.27 3f5o h VAL 64 Ca 0.17 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 3f5o h VAL 64 Cb -0.00 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3f5o h VAL 64 CO -0.07 0.01 -0.32 -0.78 0.02 0.00 0.00 177.57 176.44 3f5o h ASP 65 N 0.07 -0.76 -0.20 0.57 1.82 -0.84 -2.26 116.42 114.81 3f5o h ASP 65 Ca 0.09 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.66 3f5o h ASP 65 Cb 0.11 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 3f5o h ASP 65 CO -0.15 -0.52 -0.25 0.78 -1.61 0.00 0.00 179.24 177.49 3f5o h ASN 66 N -0.86 0.57 -0.03 2.28 -0.26 -0.64 -2.10 115.58 114.54 3f5o h ASN 66 Ca -0.08 -0.50 -0.15 0.00 -0.56 0.00 0.00 56.30 55.01 3f5o h ASN 66 Cb 0.67 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 3f5o h ASN 66 CO 0.13 0.95 -0.50 0.40 -1.06 0.00 0.00 177.43 177.35 3f5o h ILE 67 N 0.20 1.31 -0.71 2.81 2.04 -1.16 0.34 117.51 122.34 3f5o h ILE 67 Ca 0.03 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 3f5o h ILE 67 Cb 0.81 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3f5o h ILE 67 CO 0.06 0.54 0.32 0.77 0.00 0.00 0.00 178.15 179.84 3f5o h SER 68 N 0.47 0.94 -0.69 1.72 4.64 -1.44 -1.74 113.55 117.45 3f5o h SER 68 Ca 0.02 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3f5o h SER 68 Cb 1.04 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3f5o h SER 68 CO 0.10 0.81 0.29 0.74 -0.87 0.00 0.00 176.83 177.90 3f5o h THR 69 N 1.02 1.24 -0.79 2.95 2.02 -0.64 -1.76 112.91 116.96 3f5o h THR 69 Ca 0.24 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3f5o h THR 69 Cb 0.14 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 3f5o h THR 69 CO -0.03 0.30 0.46 0.24 0.37 0.00 0.00 175.52 176.86 3f5o h MET 70 N 0.97 0.79 -0.76 6.66 2.07 -0.56 -1.28 114.93 122.82 3f5o h MET 70 Ca 0.23 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 3f5o h MET 70 Cb 0.19 -0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 3f5o h MET 70 CO -0.02 0.52 0.49 0.00 1.07 0.00 0.00 176.91 178.97 3f5o h ALA 71 N 1.41 1.43 -0.39 6.32 0.00 -0.55 -2.23 119.26 125.25 3f5o h ALA 71 Ca 0.36 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3f5o h ALA 71 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3f5o h ALA 71 CO -0.21 0.51 -0.17 -0.07 0.00 0.00 0.00 179.25 179.32 3f5o h LEU 72 N 1.03 0.72 -1.68 0.00 3.38 -0.50 -2.17 115.31 116.09 3f5o h LEU 72 Ca 0.28 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3f5o h LEU 72 Cb -0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3f5o h LEU 72 CO -0.06 0.90 0.37 -0.07 0.09 0.00 0.00 178.44 179.67 3f5o h LEU 73 N 0.64 0.33 -3.40 1.67 3.38 -0.69 -2.95 115.31 114.28 3f5o h LEU 73 Ca 0.10 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 3f5o h LEU 73 Cb 0.65 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.22 3f5o h LEU 73 CO 0.05 0.20 0.35 0.00 0.09 0.00 0.00 178.44 179.13 3f5o s THR 75 N -1.92 1.69 0.17 0.00 -4.23 -1.11 -0.15 115.64 110.09 3f5o s THR 75 Ca 0.26 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 3f5o s THR 75 Cb 0.20 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.42 3f5o s THR 75 CO -0.00 -0.13 1.70 -0.33 -0.54 0.00 0.00 174.62 175.31 3f5o h GLU 76 N 2.07 0.12 -0.51 3.99 5.08 -1.89 -2.34 114.58 121.10 3f5o h GLU 76 Ca -0.41 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 3f5o h GLU 76 Cb 1.24 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3f5o h GLU 76 CO 0.72 0.08 0.00 -0.09 -1.00 0.00 0.00 179.01 178.72 3f5o h ARG 77 N 0.12 0.90 -0.60 2.33 2.43 -1.94 -3.47 114.38 114.16 3f5o h ARG 77 Ca 0.21 -0.29 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 3f5o h ARG 77 Cb 0.29 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.68 3f5o h ARG 77 CO -0.34 0.93 -0.21 0.41 -1.51 0.00 0.00 179.97 179.25 3f5o n GLY 78 N -0.39 1.16 3.70 2.80 0.00 -0.88 -5.00 105.19 106.57 3f5o n GLY 78 Ca 0.01 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.42 3.48 -0.20 4.61 0.00 -1.25 -4.52 121.76 121.45 3f5o s ALA 79 Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 51.96 51.94 3f5o s ALA 79 Cb 0.00 -2.81 0.09 0.00 0.00 0.00 0.00 23.12 20.40 3f5o s ALA 79 CO 0.00 -0.23 1.42 -1.00 0.00 0.00 0.00 175.76 175.95 3f5o h PRO 80 N 7.04 0.00 0.00 0.00 0.13 -1.88 -3.41 132.00 133.88 3f5o h PRO 80 Ca -0.37 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.85 3f5o h PRO 80 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3f5o h PRO 80 CO 0.76 0.40 -0.12 0.41 -0.23 0.00 0.00 178.00 179.22 3f5o n GLY 81 N 1.22 -1.70 3.23 1.56 0.00 -1.26 -4.91 105.19 103.33 3f5o n GLY 81 Ca 0.01 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 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 1.59 0.33 1.61 -7.23 -0.26 -4.90 120.40 110.85 3f5o s VAL 82 Ca 0.00 -1.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 3f5o s VAL 82 Cb 0.00 -1.38 -0.10 0.00 0.56 0.00 0.00 36.38 35.45 3f5o s VAL 82 CO 0.00 0.18 1.40 -0.44 -0.31 0.00 0.00 175.10 175.93 3f5o s SER 83 N -1.17 6.60 -0.05 4.85 0.01 -1.26 -0.41 113.70 122.27 3f5o s SER 83 Ca 0.07 2.81 -0.02 0.00 1.31 0.00 0.00 55.95 60.11 3f5o s SER 83 Cb -0.09 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3f5o s SER 83 CO 0.02 -0.68 -0.07 0.52 0.41 0.00 0.00 173.24 173.44 3f5o n VAL 84 N 1.04 0.28 -3.86 3.43 0.31 0.09 -4.82 118.33 114.81 3f5o n VAL 84 Ca 0.02 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 3f5o n VAL 84 Cb 0.41 -1.55 -0.14 0.00 -0.91 0.00 0.00 33.84 31.65 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 -5.44 -0.01 0.00 4.52 1.01 -1.06 -5.00 116.67 110.69 3f5o s ASP 85 Ca -0.07 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.22 3f5o s ASP 85 Cb 0.03 0.03 -0.00 0.00 1.01 0.00 0.00 42.92 43.98 3f5o s ASP 85 CO 0.09 -0.01 -0.00 -0.32 0.21 0.00 0.00 175.17 175.13 3f5o s MET 86 N 0.07 0.04 0.05 8.23 -2.45 -1.26 -0.58 119.30 123.40 3f5o s MET 86 Ca -0.00 -0.05 0.02 0.00 -1.25 0.00 0.00 55.69 54.40 3f5o s MET 86 Cb -0.01 -0.01 -0.03 0.00 1.25 0.00 0.00 34.83 36.04 3f5o s MET 86 CO -0.00 0.00 -0.08 0.54 1.05 0.00 0.00 175.02 176.53 3f5o s ASN 87 N -0.12 0.94 -0.04 1.11 2.20 -0.45 -4.99 114.94 113.59 3f5o s ASN 87 Ca -0.01 -0.65 -0.02 0.00 -0.94 0.00 0.00 52.86 51.23 3f5o s ASN 87 Cb -0.01 0.05 0.02 0.00 -2.00 0.00 0.00 41.25 39.31 3f5o s ASN 87 CO -0.00 -0.26 0.08 -0.63 -2.94 0.00 0.00 177.10 173.35 3f5o s ILE 88 N -1.87 -0.02 -0.07 0.54 1.09 -1.26 -1.54 121.20 118.07 3f5o s ILE 88 Ca -0.05 0.08 0.05 0.00 -1.10 0.00 0.00 60.65 59.63 3f5o s ILE 88 Cb -0.07 -0.14 -0.01 0.00 -1.06 0.00 0.00 42.46 41.18 3f5o s ILE 88 CO -0.01 0.03 -0.21 -0.89 -0.10 0.00 0.00 174.94 173.76 3f5o s THR 89 N 0.49 2.36 -0.32 2.92 2.01 0.36 -4.99 115.64 118.48 3f5o s THR 89 Ca -0.04 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 3f5o s THR 89 Cb -0.05 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.62 3f5o s THR 89 CO -0.02 0.56 0.03 -0.31 -0.69 0.00 0.00 174.62 174.19 3f5o s TYR 90 N -0.11 3.33 -0.17 4.92 1.51 -1.26 -1.41 117.35 124.16 3f5o s TYR 90 Ca -0.04 -2.01 0.03 0.00 -1.01 0.00 0.00 57.07 54.04 3f5o s TYR 90 Cb -0.14 -2.29 -0.22 0.00 -0.11 0.00 0.00 41.96 39.19 3f5o s TYR 90 CO 0.04 -0.84 0.14 -1.33 -1.11 0.00 0.00 175.55 172.46 3f5o n MET 91 N 4.60 0.69 -3.75 -0.62 2.81 0.34 -4.99 117.12 116.20 3f5o n MET 91 Ca -0.11 0.19 -0.13 0.00 -1.81 0.00 0.00 57.70 55.83 3f5o n MET 91 Cb 0.43 -1.62 -0.09 0.00 -0.71 0.00 0.00 33.22 31.22 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 -6.50 -0.29 0.56 7.83 1.04 -1.00 -5.01 113.70 110.32 3f5o s SER 92 Ca -0.23 0.41 -0.18 0.00 0.48 0.00 0.00 55.95 56.43 3f5o s SER 92 Cb 0.08 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 3f5o s SER 92 CO 0.72 -0.30 1.08 -2.84 0.98 0.00 0.00 173.24 172.88 3f5o s PRO 93 N -0.61 3.38 -0.19 4.02 0.02 -1.26 -4.66 135.00 135.70 3f5o s PRO 93 Ca -0.07 1.38 -0.05 0.00 0.02 0.00 0.00 61.00 62.27 3f5o s PRO 93 Cb -0.04 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3f5o s PRO 93 CO 0.03 -0.79 0.01 0.00 -0.33 0.00 0.00 177.00 175.92 3f5o s ALA 94 N -2.13 3.10 0.25 -1.55 0.00 -1.26 -5.00 121.76 115.16 3f5o s ALA 94 Ca 0.67 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 3f5o s ALA 94 Cb -0.19 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3f5o s ALA 94 CO 0.30 -0.07 0.44 0.15 0.00 0.00 0.00 175.76 176.59 3f5o s LYS 95 N 0.85 3.52 0.15 0.00 1.02 -1.26 -0.11 119.74 123.91 3f5o s LYS 95 Ca 0.01 -0.34 -0.34 0.00 0.02 0.00 0.00 55.97 55.32 3f5o s LYS 95 Cb -0.14 -2.78 -0.15 0.00 -0.52 0.00 0.00 37.83 34.23 3f5o s LYS 95 CO 0.02 0.33 1.37 1.28 -0.92 0.00 0.00 175.35 177.43 3f5o n LEU 96 N -1.00 2.22 0.00 3.17 4.77 -1.10 -1.65 117.00 123.41 3f5o n LEU 96 Ca -0.05 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 3f5o n LEU 96 Cb 0.55 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3f5o n LEU 96 CO 0.48 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 3f5o n GLY 97 N 2.57 1.27 3.75 -0.72 0.00 0.30 -5.01 105.19 107.34 3f5o n GLY 97 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.65 4.83 -0.10 1.61 2.12 -0.66 -4.75 118.70 121.10 3f5o s GLU 98 Ca 0.00 1.51 -0.21 0.00 0.36 0.00 0.00 54.97 56.63 3f5o s GLU 98 Cb 0.00 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3f5o s GLU 98 CO 0.00 0.47 0.62 -0.51 -0.54 0.00 0.00 175.26 175.31 3f5o s ASP 99 N -1.07 6.85 0.15 -1.70 1.01 -1.26 -0.87 116.67 119.77 3f5o s ASP 99 Ca 0.42 1.02 0.11 0.00 0.71 0.00 0.00 52.55 54.81 3f5o s ASP 99 Cb -0.26 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3f5o s ASP 99 CO 0.33 -0.11 -0.24 0.27 0.21 0.00 0.00 175.17 175.62 3f5o s ILE 100 N 0.93 2.39 -0.11 0.77 -4.36 0.86 -0.60 121.20 121.07 3f5o s ILE 100 Ca 0.33 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 3f5o s ILE 100 Cb -0.17 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 3f5o s ILE 100 CO 0.14 0.02 -0.18 -0.69 0.24 0.00 0.00 174.94 174.47 3f5o s VAL 101 N -1.30 2.66 -0.23 8.37 1.01 0.12 -1.24 120.40 129.80 3f5o s VAL 101 Ca 0.17 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3f5o s VAL 101 Cb -0.09 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3f5o s VAL 101 CO 0.08 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.98 3f5o s ILE 102 N 0.26 2.55 -0.21 2.22 1.09 0.39 -0.62 121.20 126.88 3f5o s ILE 102 Ca -0.12 -1.05 -0.01 0.00 -1.10 0.00 0.00 60.65 58.37 3f5o s ILE 102 Cb -0.16 -2.25 0.01 0.00 -1.06 0.00 0.00 42.46 39.00 3f5o s ILE 102 CO 0.06 0.29 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.19 3f5o s THR 103 N 1.29 2.75 -0.07 2.92 2.01 -0.02 -1.11 115.64 123.42 3f5o s THR 103 Ca 0.01 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3f5o s THR 103 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3f5o s THR 103 CO -0.07 0.42 -0.17 0.00 -0.69 0.00 0.00 174.62 174.11 3f5o s ALA 104 N 1.37 2.50 0.02 7.40 0.00 0.05 -1.19 121.76 131.92 3f5o s ALA 104 Ca 0.04 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3f5o s ALA 104 Cb -0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 3f5o s ALA 104 CO -0.07 0.46 -0.05 -3.38 0.00 0.00 0.00 175.76 172.72 3f5o s HIS 105 N -0.37 0.41 -0.13 0.00 -3.43 -0.08 -1.31 115.29 110.38 3f5o s HIS 105 Ca 0.03 -0.42 -0.27 0.00 -0.80 0.00 0.00 55.06 53.61 3f5o s HIS 105 Cb -0.12 -0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 30.75 3f5o s HIS 105 CO 0.02 -0.11 0.88 0.08 -2.00 0.00 0.00 174.74 173.61 3f5o s VAL 106 N -1.14 4.87 -0.03 -5.38 1.01 0.34 -0.94 120.40 119.13 3f5o s VAL 106 Ca -0.10 1.77 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 3f5o s VAL 106 Cb -0.08 -4.19 -0.30 0.00 0.00 0.00 0.00 36.38 31.81 3f5o s VAL 106 CO -0.00 0.05 0.75 -0.07 0.00 0.00 0.00 175.10 175.83 3f5o h LEU 107 N 7.96 0.53 -7.00 3.92 3.38 -0.77 -3.48 115.31 119.85 3f5o h LEU 107 Ca -0.32 -0.77 0.05 0.00 0.09 0.00 0.00 57.88 56.93 3f5o h LEU 107 Cb 1.15 -0.17 -0.25 0.00 0.09 0.00 0.00 40.66 41.47 3f5o h LEU 107 CO 0.83 1.65 0.36 -0.75 0.09 0.00 0.00 178.44 180.62 3f5o s LYS 108 N -2.59 0.55 -0.13 1.13 2.47 -1.16 -5.01 119.74 114.99 3f5o s LYS 108 Ca -0.13 0.71 0.03 0.00 -1.56 0.00 0.00 55.97 55.02 3f5o s LYS 108 Cb 0.06 0.23 0.01 0.00 -1.46 0.00 0.00 37.83 36.67 3f5o s LYS 108 CO 0.86 -0.08 -0.22 -0.65 0.16 0.00 0.00 175.35 175.42 3f5o s GLN 109 N 0.55 2.99 0.00 4.03 -0.21 -1.26 -0.99 119.66 124.77 3f5o s GLN 109 Ca -0.00 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3f5o s GLN 109 Cb -0.05 -2.39 0.00 0.00 1.00 0.00 0.00 33.01 31.57 3f5o s GLN 109 CO -0.08 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 3f5o n GLY 110 N 4.01 4.67 0.18 3.09 0.00 0.95 -5.01 105.19 113.08 3f5o n GLY 110 Ca -0.20 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 3f5o n GLY 110 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f5o h LYS 111 N 0.00 0.55 0.00 1.61 3.64 -2.00 -3.37 116.57 116.99 3f5o h LYS 111 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3f5o h LYS 111 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3f5o h LYS 111 CO 0.00 0.56 0.00 0.25 -2.27 0.00 0.00 179.45 177.99 3f5o n THR 112 N -4.65 0.00 -4.34 1.00 -2.24 -1.26 -4.82 114.28 97.97 3f5o n THR 112 Ca -0.01 -0.39 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 3f5o n THR 112 Cb 0.16 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.91 2.15 0.06 3.22 1.43 -1.26 -0.36 118.68 123.01 3f5o s LEU 113 Ca 0.00 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3f5o s LEU 113 Cb 0.00 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.65 3f5o s LEU 113 CO 0.00 0.03 -0.16 0.00 0.23 0.00 0.00 176.35 176.45 3f5o s ALA 114 N -0.79 1.35 -0.05 4.21 0.00 -0.16 -0.03 121.76 126.29 3f5o s ALA 114 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3f5o s ALA 114 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3f5o s ALA 114 CO 0.01 0.25 -0.16 -0.06 0.00 0.00 0.00 175.76 175.80 3f5o s PHE 115 N -1.01 1.69 0.07 0.00 0.40 -0.16 -0.92 117.98 118.06 3f5o s PHE 115 Ca 0.02 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3f5o s PHE 115 Cb -0.09 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 3f5o s PHE 115 CO 0.02 -0.20 -0.06 0.95 0.70 0.00 0.00 175.22 176.63 3f5o s THR 116 N 0.18 0.56 0.03 0.64 -4.23 -0.28 -0.00 115.64 112.53 3f5o s THR 116 Ca -0.07 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 3f5o s THR 116 Cb -0.13 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 3f5o s THR 116 CO 0.03 -0.73 -0.13 -0.55 -0.54 0.00 0.00 174.62 172.70 3f5o s SER 117 N -2.54 1.49 -0.04 3.99 0.15 -0.12 -1.19 113.70 115.45 3f5o s SER 117 Ca 0.04 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3f5o s SER 117 Cb 0.01 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3f5o s SER 117 CO -0.04 0.02 -0.05 -0.69 1.20 0.00 0.00 173.24 173.68 3f5o s VAL 118 N -0.83 0.51 -0.12 4.45 1.01 -0.38 -0.91 120.40 124.14 3f5o s VAL 118 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 3f5o s VAL 118 Cb -0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3f5o s VAL 118 CO 0.01 0.21 -0.10 -1.81 0.00 0.00 0.00 175.10 173.40 3f5o s ASP 119 N 0.73 4.27 -0.18 3.32 1.11 -0.33 -0.27 116.67 125.32 3f5o s ASP 119 Ca -0.10 -0.23 -0.06 0.00 0.18 0.00 0.00 52.55 52.35 3f5o s ASP 119 Cb -0.13 -1.51 -0.03 0.00 1.07 0.00 0.00 42.92 42.32 3f5o s ASP 119 CO 0.00 0.21 0.02 -0.76 1.18 0.00 0.00 175.17 175.82 3f5o s LEU 120 N 0.09 3.53 0.13 1.23 1.02 -0.20 -0.84 118.68 123.64 3f5o s LEU 120 Ca -0.04 -0.04 0.06 0.00 0.02 0.00 0.00 54.13 54.13 3f5o s LEU 120 Cb -0.14 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 3f5o s LEU 120 CO 0.04 0.15 -0.14 0.42 0.02 0.00 0.00 176.35 176.84 3f5o s THR 121 N 0.50 1.38 -0.02 5.49 -4.23 0.21 -0.27 115.64 118.71 3f5o s THR 121 Ca 0.00 -1.78 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 3f5o s THR 121 Cb -0.13 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 3f5o s THR 121 CO 0.02 -0.44 1.29 0.21 -0.54 0.00 0.00 174.62 175.16 3f5o s ASN 122 N -2.57 6.96 0.21 3.99 3.84 0.11 -0.70 114.94 126.78 3f5o s ASN 122 Ca 0.11 1.97 -0.10 0.00 0.21 0.00 0.00 52.86 55.04 3f5o s ASN 122 Cb -0.04 -2.56 0.18 0.00 -0.55 0.00 0.00 41.25 38.28 3f5o s ASN 122 CO 0.03 -0.64 1.86 0.50 -2.79 0.00 0.00 177.10 176.06 3f5o h LYS 123 N 7.58 0.88 -0.47 0.43 3.64 -1.17 0.39 116.57 127.84 3f5o h LYS 123 Ca -0.36 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 3f5o h LYS 123 Cb 1.17 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3f5o h LYS 123 CO 0.89 0.58 -0.06 0.00 -2.27 0.00 0.00 179.45 178.58 3f5o h ALA 124 N 1.29 0.65 0.00 5.00 0.00 -1.92 -3.33 119.26 120.95 3f5o h ALA 124 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3f5o h ALA 124 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3f5o h ALA 124 CO -0.10 0.51 -1.46 0.25 0.00 0.00 0.00 179.25 178.45 3f5o n THR 125 N -4.28 0.00 -0.90 0.00 -2.24 -1.18 -4.99 114.28 100.69 3f5o n THR 125 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3f5o n THR 125 Cb 0.35 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.69 0.60 3.76 3.38 0.00 0.13 -5.00 105.19 109.75 3f5o n GLY 126 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.38 4.32 0.03 1.61 3.01 -1.25 -4.61 119.74 122.47 3f5o s LYS 127 Ca 0.00 2.25 -0.30 0.00 -1.01 0.00 0.00 55.97 56.91 3f5o s LYS 127 Cb 0.00 -3.09 -0.07 0.00 -1.01 0.00 0.00 37.83 33.66 3f5o s LYS 127 CO 0.00 -0.29 1.56 -1.17 0.51 0.00 0.00 175.35 175.96 3f5o s LEU 128 N -1.19 4.34 -0.19 3.17 2.96 -1.26 -0.71 118.68 125.80 3f5o s LEU 128 Ca 0.53 2.32 -0.23 0.00 -0.22 0.00 0.00 54.13 56.54 3f5o s LEU 128 Cb -0.41 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.53 3f5o s LEU 128 CO 0.49 -0.83 0.33 0.40 -1.32 0.00 0.00 176.35 175.42 3f5o h ILE 129 N 4.91 1.08 -2.89 6.68 2.04 -0.90 -3.35 117.51 125.08 3f5o h ILE 129 Ca -0.40 -2.16 -0.04 0.00 1.00 0.00 0.00 64.86 63.25 3f5o h ILE 129 Cb 1.19 2.39 -0.14 0.00 -0.74 0.00 0.00 36.82 39.52 3f5o h ILE 129 CO 0.92 0.37 0.10 0.00 0.00 0.00 0.00 178.15 179.54 3f5o s ALA 130 N -2.34 -1.41 -0.01 1.87 0.00 -1.09 -0.51 121.76 118.27 3f5o s ALA 130 Ca -0.26 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3f5o s ALA 130 Cb 0.04 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 3f5o s ALA 130 CO 0.59 -0.62 -0.08 -1.14 0.00 0.00 0.00 175.76 174.52 3f5o s GLN 131 N -3.04 0.73 0.12 0.00 0.74 -0.50 -1.03 119.66 116.67 3f5o s GLN 131 Ca -0.02 -0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.15 3f5o s GLN 131 Cb -0.00 -0.70 -0.04 0.00 1.10 0.00 0.00 33.01 33.37 3f5o s GLN 131 CO -0.07 0.14 -0.11 0.20 -0.55 0.00 0.00 175.29 174.91 3f5o s GLY 132 N -0.03 0.96 0.03 2.59 0.00 0.63 -0.48 107.32 111.02 3f5o s GLY 132 Ca 0.01 -1.32 0.05 0.00 0.00 0.00 0.00 44.72 43.46 3f5o s GLY 132 CO -0.00 -1.41 -0.15 -1.60 0.00 0.00 0.00 173.10 169.94 3f5o s ARG 133 N -3.17 1.07 -0.09 2.90 3.52 -0.59 -1.25 118.95 121.35 3f5o s ARG 133 Ca 0.10 -0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 54.93 3f5o s ARG 133 Cb -0.01 -1.08 0.05 0.00 -1.56 0.00 0.00 34.95 32.35 3f5o s ARG 133 CO 0.00 0.28 0.17 -1.58 -0.81 0.00 0.00 175.30 173.36 3f5o s HIS 134 N -0.73 -0.20 -0.12 5.12 5.65 -0.33 -1.35 115.29 123.33 3f5o s HIS 134 Ca 0.03 0.63 -0.02 0.00 0.25 0.00 0.00 55.06 55.95 3f5o s HIS 134 Cb -0.07 -0.22 -0.03 0.00 -1.18 0.00 0.00 32.58 31.08 3f5o s HIS 134 CO 0.01 -0.27 -0.05 0.99 -0.65 0.00 0.00 174.74 174.78 3f5o s THR 135 N 2.18 3.85 0.10 0.89 2.01 0.25 -1.13 115.64 123.79 3f5o s THR 135 Ca 0.02 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 61.71 3f5o s THR 135 Cb -0.12 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3f5o s THR 135 CO -0.06 0.53 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.66 3f5o s LYS 136 N -0.07 1.11 -0.18 4.92 1.02 -0.10 -0.73 119.74 125.72 3f5o s LYS 136 Ca 0.01 -1.16 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 3f5o s LYS 136 Cb -0.13 -1.37 -0.05 0.00 -0.52 0.00 0.00 37.83 35.76 3f5o s LYS 136 CO 0.03 0.32 0.17 -1.58 -0.92 0.00 0.00 175.35 173.37 3f5o s HIS 137 N -1.17 3.44 -0.15 3.18 5.65 0.45 -0.99 115.29 125.69 3f5o s HIS 137 Ca 0.06 0.41 -0.07 0.00 0.25 0.00 0.00 55.06 55.72 3f5o s HIS 137 Cb -0.10 -2.19 -0.04 0.00 -1.18 0.00 0.00 32.58 29.07 3f5o s HIS 137 CO 0.04 0.31 0.07 -0.51 -0.65 0.00 0.00 174.74 174.00 3f5o s LEU 138 N 0.30 3.92 0.00 8.88 1.43 0.52 -1.10 118.68 132.63 3f5o s LEU 138 Ca 0.11 0.18 0.25 0.00 -1.03 0.00 0.00 54.13 53.64 3f5o s LEU 138 Cb -0.12 -1.97 0.39 0.00 0.03 0.00 0.00 46.19 44.52 3f5o s LEU 138 CO -0.00 0.26 1.37 0.61 0.23 0.00 0.00 176.35 178.82