#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 1.29 -0.80 1.12 1.35 -1.98 -0.97 112.91 112.92 3f5o h THR 5 Ca 0.00 -1.69 0.05 0.00 -0.55 0.00 0.00 66.41 64.22 3f5o h THR 5 Cb 0.00 1.70 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 3f5o h THR 5 CO 0.00 0.54 0.49 1.56 -0.25 0.00 0.00 175.52 177.87 3f5o h GLN 6 N 0.55 0.90 -0.49 4.72 4.20 -2.01 0.08 115.11 123.06 3f5o h GLN 6 Ca 0.01 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3f5o h GLN 6 Cb 1.10 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3f5o h GLN 6 CO 0.11 0.59 0.02 1.03 -0.67 0.00 0.00 178.83 179.92 3f5o h SER 7 N 0.93 0.84 0.55 1.46 0.87 -1.99 -2.81 113.55 113.39 3f5o h SER 7 Ca 0.34 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3f5o h SER 7 Cb 0.11 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3f5o h SER 7 CO -0.15 0.93 -0.65 0.25 -0.53 0.00 0.00 176.83 176.67 3f5o h LEU 8 N 0.72 0.11 -1.28 2.23 5.85 -0.81 -2.00 115.31 120.13 3f5o h LEU 8 Ca 0.14 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3f5o h LEU 8 Cb 0.48 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3f5o h LEU 8 CO 0.02 0.73 0.49 0.03 -0.34 0.00 0.00 178.44 179.37 3f5o h ARG 9 N 0.07 0.96 -0.58 1.25 3.08 -0.89 -1.40 114.38 116.87 3f5o h ARG 9 Ca -0.01 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 3f5o h ARG 9 Cb 1.17 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3f5o h ARG 9 CO 0.09 0.63 -0.03 0.93 -1.07 0.00 0.00 179.97 180.52 3f5o h GLU 10 N 0.99 1.04 -0.31 0.04 5.08 -1.12 -0.93 114.58 119.36 3f5o h GLU 10 Ca 0.27 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3f5o h GLU 10 Cb -0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3f5o h GLU 10 CO -0.06 1.03 0.16 0.28 -1.00 0.00 0.00 179.01 179.42 3f5o h VAL 11 N 0.94 1.00 -0.25 3.13 2.07 -1.06 -0.70 116.25 121.37 3f5o h VAL 11 Ca 0.16 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 3f5o h VAL 11 Cb 0.59 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3f5o h VAL 11 CO 0.04 0.06 0.15 0.40 0.02 0.00 0.00 177.57 178.24 3f5o h ILE 12 N 0.34 1.09 -0.86 4.57 2.04 -1.05 -1.18 117.51 122.46 3f5o h ILE 12 Ca 0.13 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.88 3f5o h ILE 12 Cb 0.04 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3f5o h ILE 12 CO -0.08 0.09 0.50 0.50 0.00 0.00 0.00 178.15 179.15 3f5o h LYS 13 N 0.32 0.80 -0.32 2.37 3.64 -0.92 -1.14 116.57 121.31 3f5o h LYS 13 Ca 0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3f5o h LYS 13 Cb 0.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 3f5o h LYS 13 CO -0.02 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 3f5o h ALA 14 N 1.47 1.41 -0.38 5.00 0.00 -0.51 -2.71 119.26 123.53 3f5o h ALA 14 Ca 0.42 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3f5o h ALA 14 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3f5o h ALA 14 CO -0.25 0.42 0.02 0.52 0.00 0.00 0.00 179.25 179.95 3f5o h MET 15 N 0.48 0.67 -0.94 0.00 2.86 -0.05 -2.40 114.93 115.55 3f5o h MET 15 Ca 0.10 -0.20 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3f5o h MET 15 Cb 0.31 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 3f5o h MET 15 CO 0.01 0.75 0.58 1.79 1.06 0.00 0.00 176.91 181.10 3f5o h THR 16 N 0.49 0.97 -0.18 2.22 1.35 -1.01 -2.44 112.91 114.32 3f5o h THR 16 Ca 0.11 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3f5o h THR 16 Cb 0.44 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 3f5o h THR 16 CO 0.02 0.18 0.00 2.29 -0.25 0.00 0.00 175.52 177.76 3f5o n LYS 17 N -4.62 2.19 -1.74 4.72 2.85 -1.13 -4.90 118.16 115.52 3f5o n LYS 17 Ca 0.16 -1.76 -0.38 0.00 -1.05 0.00 0.00 58.31 55.28 3f5o n LYS 17 Cb 0.27 -1.47 0.06 0.00 -0.65 0.00 0.00 35.03 33.24 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3f5o s ALA 18 N -1.78 2.55 -0.15 0.58 0.00 -0.91 -4.95 121.76 117.10 3f5o s ALA 18 Ca 0.34 1.28 0.20 0.00 0.00 0.00 0.00 51.96 53.78 3f5o s ALA 18 Cb 0.21 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.63 3f5o s ALA 18 CO 0.30 -1.54 0.79 0.54 0.00 0.00 0.00 175.76 175.85 3f5o n ARG 19 N -1.57 0.63 0.00 0.00 1.74 -1.26 -4.58 116.66 111.61 3f5o n ARG 19 Ca 0.14 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3f5o n ARG 19 Cb 0.47 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.68 -0.10 0.27 0.55 0.23 -1.26 -4.91 115.26 107.37 3f5o n ASN 20 Ca -0.07 -0.76 0.17 0.00 -0.53 0.00 0.00 54.58 53.40 3f5o n ASN 20 Cb 0.70 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.12 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 -0.87 0.00 0.00 -2.53 3.57 -1.99 -2.63 116.94 112.50 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 0.02 0.93 -2.23 0.00 0.00 178.31 177.03 3f5o h GLU 22 N 0.00 0.00 -0.04 1.11 4.39 -1.92 -2.44 114.58 115.68 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 0.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3f5o h GLU 22 CO 0.00 0.00 0.07 0.07 -1.16 0.00 0.00 179.01 177.99 3f5o h ARG 23 N 0.00 0.00 0.00 2.33 0.11 -1.52 -2.78 114.38 112.52 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 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 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 -3.49 0.80 -0.88 0.08 0.24 -0.92 -1.67 118.33 112.49 3f5o n VAL 24 Ca -0.02 0.17 0.08 0.00 -2.04 0.00 0.00 64.34 62.53 3f5o n VAL 24 Cb 0.16 -1.10 0.32 0.00 -1.47 0.00 0.00 33.84 31.74 3f5o n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3f5o n LEU 25 N -2.28 4.66 -0.25 1.34 4.77 -1.05 -4.67 117.00 119.53 3f5o n LEU 25 Ca 0.02 -2.87 0.25 0.00 -0.03 0.00 0.00 56.01 53.39 3f5o n LEU 25 Cb 0.25 -0.59 0.62 0.00 -2.33 0.00 0.00 43.42 41.37 3f5o n LEU 25 CO 0.21 0.68 1.25 1.23 -1.33 0.00 0.00 177.39 179.43 3f5o h GLY 26 N 2.92 0.53 0.59 -0.72 0.00 -1.48 -1.91 103.07 103.00 3f5o h GLY 26 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3f5o h GLY 26 CO 0.32 -0.03 -0.11 0.28 0.00 0.00 0.00 176.54 177.00 3f5o n LYS 27 N -4.41 0.89 -1.70 4.80 4.76 -1.26 -4.60 118.16 116.64 3f5o n LYS 27 Ca 0.21 -0.37 -0.33 0.00 -2.87 0.00 0.00 58.31 54.95 3f5o n LYS 27 Cb 0.90 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.65 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 -2.37 3.18 0.02 -0.18 -4.36 -0.72 -4.68 121.20 112.09 3f5o s ILE 28 Ca 0.31 0.54 0.06 0.00 -0.26 0.00 0.00 60.65 61.30 3f5o s ILE 28 Cb 0.20 -3.06 -0.02 0.00 1.25 0.00 0.00 42.46 40.83 3f5o s ILE 28 CO 0.45 -0.35 -0.19 0.42 0.24 0.00 0.00 174.94 175.52 3f5o s THR 29 N -2.35 1.49 -0.13 8.37 -4.23 0.79 -4.96 115.64 114.62 3f5o s THR 29 Ca 0.67 -1.00 -0.27 0.00 -1.18 0.00 0.00 61.69 59.91 3f5o s THR 29 Cb -0.21 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 3f5o s THR 29 CO 0.43 0.25 0.91 -0.22 -0.54 0.00 0.00 174.62 175.44 3f5o s LEU 30 N -0.88 4.22 -0.19 4.79 2.96 -1.26 -0.36 118.68 127.96 3f5o s LEU 30 Ca 0.06 1.35 -0.18 0.00 -0.22 0.00 0.00 54.13 55.15 3f5o s LEU 30 Cb -0.08 -3.38 -0.14 0.00 0.50 0.00 0.00 46.19 43.09 3f5o s LEU 30 CO 0.01 -0.40 0.07 0.52 -1.32 0.00 0.00 176.35 175.23 3f5o n VAL 31 N 4.56 1.50 -3.51 1.68 0.31 0.21 -4.93 118.33 118.14 3f5o n VAL 31 Ca 0.06 0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.27 3f5o n VAL 31 Cb 0.49 -2.13 -0.05 0.00 -0.91 0.00 0.00 33.84 31.24 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 -6.57 -0.54 -0.01 4.52 1.04 -0.88 -5.00 113.70 106.26 3f5o s SER 32 Ca -0.26 0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.47 3f5o s SER 32 Cb 0.05 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 3f5o s SER 32 CO 0.48 -0.76 -0.07 0.00 0.98 0.00 0.00 173.24 173.88 3f5o s ALA 33 N -2.48 0.56 0.27 5.32 0.00 -1.26 -1.25 121.76 122.91 3f5o s ALA 33 Ca -0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 3f5o s ALA 33 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 3f5o s ALA 33 CO -0.02 0.13 0.49 0.00 0.00 0.00 0.00 175.76 176.36 3f5o s ALA 34 N -0.12 -0.09 -0.11 0.00 0.00 0.13 -4.82 121.76 116.75 3f5o s ALA 34 Ca 0.02 -0.98 -0.34 0.00 0.00 0.00 0.00 51.96 50.66 3f5o s ALA 34 Cb -0.03 1.07 -0.11 0.00 0.00 0.00 0.00 23.12 24.05 3f5o s ALA 34 CO -0.00 -0.85 1.92 -2.30 0.00 0.00 0.00 175.76 174.53 3f5o n PRO 35 N -0.41 2.12 -1.33 0.00 -0.02 -1.26 -1.38 135.00 132.72 3f5o n PRO 35 Ca -0.01 0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3f5o n PRO 35 Cb 0.62 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 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 4.61 1.18 2.82 -1.23 0.00 0.70 -4.94 105.19 108.33 3f5o n GLY 36 Ca 0.24 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.82 0.02 -0.03 1.61 2.20 -0.48 -0.26 119.74 119.99 3f5o s LYS 37 Ca 0.00 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 3f5o s LYS 37 Cb 0.00 -0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 3f5o s LYS 37 CO 0.00 -0.28 -0.12 0.08 -0.36 0.00 0.00 175.35 174.67 3f5o s VAL 38 N 1.98 1.04 -0.14 4.02 1.01 -0.55 -0.70 120.40 127.06 3f5o s VAL 38 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3f5o s VAL 38 Cb -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3f5o s VAL 38 CO -0.05 0.31 -0.20 -0.63 0.00 0.00 0.00 175.10 174.53 3f5o s ILE 39 N 0.15 1.93 0.31 2.22 1.01 -0.38 -0.69 121.20 125.75 3f5o s ILE 39 Ca -0.04 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.80 3f5o s ILE 39 Cb -0.10 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 3f5o s ILE 39 CO 0.01 0.53 -0.09 0.00 0.00 0.00 0.00 174.94 175.38 3f5o s GLU 41 N -3.64 1.07 -0.13 0.00 2.02 0.52 -0.55 118.70 117.97 3f5o s GLU 41 Ca 0.31 -1.34 -0.15 0.00 0.02 0.00 0.00 54.97 53.81 3f5o s GLU 41 Cb 0.02 -0.84 0.04 0.00 0.10 0.00 0.00 34.13 33.45 3f5o s GLU 41 CO 0.14 0.14 0.41 1.41 0.02 0.00 0.00 175.26 177.39 3f5o s MET 42 N -3.10 0.54 -0.14 1.61 1.75 -0.59 -0.15 119.30 119.21 3f5o s MET 42 Ca 0.13 0.46 -0.16 0.00 -1.25 0.00 0.00 55.69 54.86 3f5o s MET 42 Cb -0.02 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.86 3f5o s MET 42 CO 0.03 -0.09 0.38 0.21 -0.65 0.00 0.00 175.02 174.90 3f5o s LYS 43 N -0.06 4.29 -0.20 4.11 2.20 -1.26 -0.51 119.74 128.30 3f5o s LYS 43 Ca -0.02 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 3f5o s LYS 43 Cb -0.03 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3f5o s LYS 43 CO 0.01 0.21 1.49 0.08 -0.36 0.00 0.00 175.35 176.78 3f5o s VAL 44 N 0.51 3.89 0.46 4.02 1.01 -0.15 -4.95 120.40 125.18 3f5o s VAL 44 Ca 0.21 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3f5o s VAL 44 Cb -0.14 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3f5o s VAL 44 CO 0.07 -0.26 0.21 -1.61 0.00 0.00 0.00 175.10 173.51 3f5o s GLU 45 N 4.24 2.23 0.26 2.72 0.41 -1.26 -0.32 118.70 126.98 3f5o s GLU 45 Ca 0.65 -1.97 -0.02 0.00 -0.41 0.00 0.00 54.97 53.23 3f5o s GLU 45 Cb -0.24 -1.95 0.51 0.00 -1.78 0.00 0.00 34.13 30.67 3f5o s GLU 45 CO 0.25 -0.28 1.74 1.49 -0.49 0.00 0.00 175.26 177.98 3f5o h GLU 46 N 1.24 0.51 0.00 1.61 4.57 -1.98 -1.21 114.58 119.32 3f5o h GLU 46 Ca -0.41 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3f5o h GLU 46 Cb 1.27 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3f5o h GLU 46 CO 0.67 0.34 0.01 1.05 -1.18 0.00 0.00 179.01 179.90 3f5o h GLU 47 N 0.53 0.00 -0.02 1.92 4.11 -1.99 -1.85 114.58 117.27 3f5o h GLU 47 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 3f5o h GLU 47 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3f5o h GLU 47 CO -0.39 0.00 -0.37 0.72 0.07 0.00 0.00 179.01 179.04 3f5o n HIS 48 N -2.36 0.00 -3.62 2.06 8.25 -0.46 -5.02 115.22 114.07 3f5o n HIS 48 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 3f5o n HIS 48 Cb 0.04 -0.00 -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 4.47 0.37 1.59 -4.23 -0.70 -1.27 115.64 113.49 3f5o s THR 49 Ca 0.21 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3f5o s THR 49 Cb 0.19 -3.56 0.07 0.00 1.34 0.00 0.00 72.50 70.53 3f5o s THR 49 CO 0.51 -0.22 0.50 -0.46 -0.54 0.00 0.00 174.62 174.42 3f5o n ASN 50 N -1.58 0.74 0.03 3.99 0.23 -0.20 -4.61 115.26 113.86 3f5o n ASN 50 Ca -0.03 -1.61 0.04 0.00 -0.53 0.00 0.00 54.58 52.45 3f5o n ASN 50 Cb 0.58 -0.32 0.20 0.00 -2.08 0.00 0.00 39.78 38.16 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 -2.92 1.21 -0.75 -2.53 0.00 -1.26 -1.92 120.51 112.34 3f5o n ALA 51 Ca -0.08 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3f5o n ALA 51 Cb 0.30 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.67 1.94 -1.57 0.00 -5.35 -1.26 -4.99 119.36 106.47 3f5o n ILE 52 Ca 0.01 -1.59 -0.11 0.00 -0.27 0.00 0.00 62.75 60.79 3f5o n ILE 52 Cb 0.06 -0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 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 -0.10 0.84 3.69 3.28 0.00 -0.81 -5.03 105.19 107.07 3f5o n GLY 53 Ca 0.19 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.44 2.97 0.03 2.61 -4.23 -1.26 -2.56 115.64 110.76 3f5o s THR 54 Ca 0.00 -1.80 -0.34 0.00 -1.18 0.00 0.00 61.69 58.37 3f5o s THR 54 Cb 0.00 -2.91 -0.13 0.00 1.34 0.00 0.00 72.50 70.80 3f5o s THR 54 CO 0.00 -0.21 1.74 -0.11 -0.54 0.00 0.00 174.62 175.49 3f5o n LEU 55 N -1.06 3.28 -4.74 4.79 7.94 0.11 -1.04 117.00 126.27 3f5o n LEU 55 Ca -0.04 1.02 -0.41 0.00 -1.11 0.00 0.00 56.01 55.47 3f5o n LEU 55 Cb 0.61 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.14 3f5o n LEU 55 CO 0.43 -0.17 1.04 -2.28 -1.11 0.00 0.00 177.39 175.29 3f5o s HIS 56 N 2.56 3.16 0.54 1.96 5.65 -0.39 -4.71 115.29 124.06 3f5o s HIS 56 Ca 0.86 1.14 0.22 0.00 0.25 0.00 0.00 55.06 57.53 3f5o s HIS 56 Cb -0.69 -3.69 1.44 0.00 -1.18 0.00 0.00 32.58 28.46 3f5o s HIS 56 CO 0.45 -2.21 2.12 0.78 -0.65 0.00 0.00 174.74 175.24 3f5o h GLY 57 N 5.21 0.00 1.84 1.59 0.00 -1.91 -0.85 103.07 108.94 3f5o h GLY 57 Ca -0.45 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 3f5o h GLY 57 CO 0.77 0.00 -0.80 -1.33 0.00 0.00 0.00 176.54 175.19 3f5o h GLY 58 N 0.00 0.16 1.13 4.60 0.00 -1.97 -1.27 103.07 105.73 3f5o h GLY 58 Ca 0.07 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3f5o h GLY 58 CO -0.00 0.24 -0.48 -2.00 0.00 0.00 0.00 176.54 174.29 3f5o h LEU 59 N 0.09 0.98 -0.55 3.11 5.85 -1.54 -0.91 115.31 122.34 3f5o h LEU 59 Ca -0.03 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3f5o h LEU 59 Cb 1.39 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3f5o h LEU 59 CO 0.12 1.30 0.27 0.74 -0.34 0.00 0.00 178.44 180.53 3f5o h THR 60 N 0.69 0.93 -0.87 1.05 2.02 -1.14 0.19 112.91 115.79 3f5o h THR 60 Ca 0.03 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3f5o h THR 60 Cb 1.09 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3f5o h THR 60 CO 0.11 0.09 0.52 0.00 0.37 0.00 0.00 175.52 176.61 3f5o h ALA 61 N 1.31 1.10 -0.58 6.16 0.00 -1.08 -0.65 119.26 125.53 3f5o h ALA 61 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3f5o h ALA 61 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3f5o h ALA 61 CO -0.19 0.57 0.05 1.15 0.00 0.00 0.00 179.25 180.83 3f5o h THR 62 N 1.19 1.25 -0.33 0.00 2.02 -0.07 -0.94 112.91 116.03 3f5o h THR 62 Ca 0.31 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3f5o h THR 62 Cb -0.04 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3f5o h THR 62 CO -0.06 0.38 0.18 -0.07 0.37 0.00 0.00 175.52 176.32 3f5o h LEU 63 N 0.89 0.42 -0.20 2.58 3.38 -0.19 0.24 115.31 122.43 3f5o h LEU 63 Ca 0.17 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3f5o h LEU 63 Cb 0.46 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3f5o h LEU 63 CO 0.02 0.39 -0.03 0.58 0.09 0.00 0.00 178.44 179.49 3f5o h VAL 64 N 0.41 0.83 0.50 1.22 2.07 -0.75 -0.70 116.25 119.83 3f5o h VAL 64 Ca 0.12 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3f5o h VAL 64 Cb 0.07 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3f5o h VAL 64 CO -0.02 0.01 -0.33 -0.78 0.02 0.00 0.00 177.57 176.47 3f5o h ASP 65 N 0.03 -0.83 -0.16 0.57 1.82 -0.99 -2.27 116.42 114.60 3f5o h ASP 65 Ca 0.09 0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 3f5o h ASP 65 Cb 0.13 0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 3f5o h ASP 65 CO -0.18 -0.50 -0.11 0.78 -1.61 0.00 0.00 179.24 177.61 3f5o h ASN 66 N -0.79 0.37 0.67 2.28 -0.26 -0.87 -2.03 115.58 114.95 3f5o h ASN 66 Ca -0.06 -0.45 -0.13 0.00 -0.56 0.00 0.00 56.30 55.10 3f5o h ASN 66 Cb 0.65 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 3f5o h ASN 66 CO 0.04 0.74 -0.64 0.40 -1.06 0.00 0.00 177.43 176.91 3f5o h ILE 67 N 0.00 1.44 -0.45 2.81 1.08 -1.19 -0.19 117.51 121.01 3f5o h ILE 67 Ca 0.03 -2.22 -0.12 0.00 -0.39 0.00 0.00 64.86 62.17 3f5o h ILE 67 Cb 0.61 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 3f5o h ILE 67 CO 0.03 0.63 -0.19 0.77 -0.69 0.00 0.00 178.15 178.70 3f5o h SER 68 N 0.00 0.90 -0.75 1.72 4.64 -1.43 -2.05 113.55 116.58 3f5o h SER 68 Ca -0.01 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 3f5o h SER 68 Cb 1.15 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.96 3f5o h SER 68 CO 0.08 1.07 0.29 0.74 -0.87 0.00 0.00 176.83 178.13 3f5o h THR 69 N 0.78 1.26 -0.85 2.95 2.02 -0.74 -1.97 112.91 116.35 3f5o h THR 69 Ca 0.11 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.52 3f5o h THR 69 Cb 0.73 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3f5o h THR 69 CO 0.06 0.33 0.53 0.24 0.37 0.00 0.00 175.52 177.05 3f5o h MET 70 N 1.09 0.97 -0.66 6.66 2.07 -0.85 -1.40 114.93 122.80 3f5o h MET 70 Ca 0.25 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.82 3f5o h MET 70 Cb 0.24 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 29.71 3f5o h MET 70 CO -0.02 0.64 0.40 0.00 1.07 0.00 0.00 176.91 179.00 3f5o h ALA 71 N 1.39 1.46 -0.03 6.32 0.00 -0.72 -1.89 119.26 125.78 3f5o h ALA 71 Ca 0.36 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3f5o h ALA 71 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3f5o h ALA 71 CO -0.15 0.47 -0.53 -0.07 0.00 0.00 0.00 179.25 178.96 3f5o h LEU 72 N 0.90 0.10 -1.76 0.00 3.38 -0.60 -2.27 115.31 115.06 3f5o h LEU 72 Ca 0.24 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3f5o h LEU 72 Cb -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3f5o h LEU 72 CO -0.04 0.62 -0.16 -0.07 0.09 0.00 0.00 178.44 178.87 3f5o h LEU 73 N 0.07 0.00 -3.55 1.67 3.38 -0.51 -3.12 115.31 113.25 3f5o h LEU 73 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3f5o h LEU 73 Cb 0.97 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 3f5o h LEU 73 CO 0.07 0.16 0.38 0.00 0.09 0.00 0.00 178.44 179.14 3f5o s THR 75 N -2.12 1.73 0.28 0.00 -4.23 -1.18 -0.21 115.64 109.91 3f5o s THR 75 Ca 0.32 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3f5o s THR 75 Cb 0.24 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.89 3f5o s THR 75 CO -0.02 -0.30 1.70 -0.33 -0.54 0.00 0.00 174.62 175.13 3f5o h GLU 76 N 2.26 0.40 0.08 3.99 5.08 -1.90 -2.17 114.58 122.31 3f5o h GLU 76 Ca -0.40 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 57.66 3f5o h GLU 76 Cb 1.24 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.42 3f5o h GLU 76 CO 0.67 0.26 -1.16 -0.09 -1.00 0.00 0.00 179.01 177.70 3f5o h ARG 77 N 0.41 0.58 -0.80 2.33 2.43 -1.94 -3.48 114.38 113.91 3f5o h ARG 77 Ca 0.52 -0.73 -0.27 0.00 -0.81 0.00 0.00 59.98 58.69 3f5o h ARG 77 Cb 0.93 0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 30.61 3f5o h ARG 77 CO -0.50 1.31 -0.26 0.41 -1.51 0.00 0.00 179.97 179.42 3f5o n GLY 78 N 1.26 1.21 3.69 2.80 0.00 -0.82 -5.00 105.19 108.34 3f5o n GLY 78 Ca -0.12 -0.39 -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 -2.52 3.48 0.31 4.61 0.00 -1.25 -4.59 121.76 121.80 3f5o s ALA 79 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 51.84 3f5o s ALA 79 Cb 0.00 -2.80 0.49 0.00 0.00 0.00 0.00 23.12 20.80 3f5o s ALA 79 CO 0.00 -0.23 1.71 -1.00 0.00 0.00 0.00 175.76 176.23 3f5o h PRO 80 N 7.06 0.16 0.00 0.00 0.13 -1.88 -3.42 132.00 134.05 3f5o h PRO 80 Ca -0.37 -0.08 0.20 0.00 -0.87 0.00 0.00 66.00 64.88 3f5o h PRO 80 Cb 1.17 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 3f5o h PRO 80 CO 0.76 0.57 -0.27 0.41 -0.23 0.00 0.00 178.00 179.24 3f5o n GLY 81 N -0.17 -1.83 3.22 1.56 0.00 -1.26 -4.90 105.19 101.82 3f5o n GLY 81 Ca -0.02 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.35 1.54 0.29 1.61 -7.23 -0.23 -4.90 120.40 110.13 3f5o s VAL 82 Ca 0.00 -1.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 3f5o s VAL 82 Cb 0.00 -1.33 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 3f5o s VAL 82 CO 0.00 0.23 1.41 -0.44 -0.31 0.00 0.00 175.10 175.98 3f5o s SER 83 N -1.00 6.64 -0.10 4.85 0.01 -1.26 -0.32 113.70 122.52 3f5o s SER 83 Ca 0.07 2.74 -0.06 0.00 1.31 0.00 0.00 55.95 60.00 3f5o s SER 83 Cb -0.08 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 3f5o s SER 83 CO 0.01 -0.68 -0.14 0.52 0.41 0.00 0.00 173.24 173.36 3f5o n VAL 84 N 1.57 0.69 -3.85 3.43 0.31 0.39 -4.81 118.33 116.05 3f5o n VAL 84 Ca 0.04 -0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.13 3f5o n VAL 84 Cb 0.40 -1.68 -0.15 0.00 -0.91 0.00 0.00 33.84 31.51 3f5o n VAL 84 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3f5o s ASP 85 N -6.00 0.04 -0.01 4.52 1.01 -1.01 -5.00 116.67 110.23 3f5o s ASP 85 Ca -0.15 0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.13 3f5o s ASP 85 Cb 0.06 -0.02 -0.00 0.00 1.01 0.00 0.00 42.92 43.96 3f5o s ASP 85 CO 0.19 -0.03 -0.06 -0.32 0.21 0.00 0.00 175.17 175.16 3f5o s MET 86 N 0.28 0.51 0.09 8.23 -2.45 -1.26 -0.61 119.30 124.08 3f5o s MET 86 Ca -0.02 -0.20 0.05 0.00 -1.25 0.00 0.00 55.69 54.26 3f5o s MET 86 Cb -0.03 -0.50 -0.03 0.00 1.25 0.00 0.00 34.83 35.52 3f5o s MET 86 CO -0.01 0.11 -0.13 0.54 1.05 0.00 0.00 175.02 176.58 3f5o s ASN 87 N -0.05 1.64 -0.01 1.11 2.20 -0.52 -4.99 114.94 114.33 3f5o s ASN 87 Ca 0.01 -0.70 0.00 0.00 -0.94 0.00 0.00 52.86 51.24 3f5o s ASN 87 Cb -0.03 -0.03 0.01 0.00 -2.00 0.00 0.00 41.25 39.19 3f5o s ASN 87 CO -0.00 -0.14 -0.00 -0.63 -2.94 0.00 0.00 177.10 173.38 3f5o s ILE 88 N -1.73 0.06 -0.09 0.54 1.01 -1.26 -1.50 121.20 118.23 3f5o s ILE 88 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.71 3f5o s ILE 88 Cb -0.07 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 3f5o s ILE 88 CO 0.02 0.04 -0.20 -0.89 0.00 0.00 0.00 174.94 173.91 3f5o s THR 89 N 0.23 2.48 -0.30 2.92 2.01 0.06 -4.99 115.64 118.04 3f5o s THR 89 Ca -0.02 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 3f5o s THR 89 Cb -0.03 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.54 3f5o s THR 89 CO -0.01 0.56 0.04 -0.31 -0.69 0.00 0.00 174.62 174.21 3f5o s TYR 90 N 0.05 3.20 -0.15 4.92 1.51 -1.26 -1.47 117.35 124.14 3f5o s TYR 90 Ca -0.08 -1.45 0.12 0.00 -1.01 0.00 0.00 57.07 54.65 3f5o s TYR 90 Cb -0.15 -2.19 -0.18 0.00 -0.11 0.00 0.00 41.96 39.33 3f5o s TYR 90 CO 0.05 -0.71 0.04 -1.33 -1.11 0.00 0.00 175.55 172.49 3f5o n MET 91 N 4.75 1.48 -3.70 -0.62 2.81 0.27 -5.01 117.12 117.10 3f5o n MET 91 Ca -0.14 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.61 3f5o n MET 91 Cb 0.45 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.49 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 -4.91 -0.43 0.42 7.83 1.04 -0.94 -5.00 113.70 111.70 3f5o s SER 92 Ca -0.09 0.66 -0.25 0.00 0.48 0.00 0.00 55.95 56.76 3f5o s SER 92 Cb 0.05 0.71 -0.08 0.00 0.10 0.00 0.00 66.02 66.80 3f5o s SER 92 CO 0.60 -0.32 1.22 -2.16 0.98 0.00 0.00 173.24 173.57 3f5o s PRO 93 N -0.43 3.94 -0.25 4.02 0.04 -1.26 -4.60 135.00 136.45 3f5o s PRO 93 Ca -0.06 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 3f5o s PRO 93 Cb -0.03 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3f5o s PRO 93 CO 0.03 -0.45 0.11 0.00 0.04 0.00 0.00 177.00 176.73 3f5o s ALA 94 N -1.38 3.29 0.30 8.56 0.00 -1.26 -5.01 121.76 126.26 3f5o s ALA 94 Ca 0.59 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 3f5o s ALA 94 Cb -0.33 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3f5o s ALA 94 CO 0.42 -0.44 0.50 0.15 0.00 0.00 0.00 175.76 176.39 3f5o s LYS 95 N 1.54 3.52 0.13 0.00 1.02 -1.26 0.04 119.74 124.74 3f5o s LYS 95 Ca 0.06 -0.29 -0.35 0.00 0.02 0.00 0.00 55.97 55.42 3f5o s LYS 95 Cb -0.15 -2.71 -0.16 0.00 -0.52 0.00 0.00 37.83 34.29 3f5o s LYS 95 CO 0.06 0.24 1.31 -0.11 -0.92 0.00 0.00 175.35 175.92 3f5o n LEU 96 N -1.32 1.86 0.00 3.17 7.94 -1.06 -1.48 117.00 126.11 3f5o n LEU 96 Ca -0.04 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3f5o n LEU 96 Cb 0.55 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.26 3f5o n LEU 96 CO 0.48 -1.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.36 3f5o n GLY 97 N 2.42 2.03 3.74 -3.96 0.00 0.56 -5.00 105.19 104.98 3f5o n GLY 97 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.48 4.64 -0.01 1.61 2.02 -0.55 -4.71 118.70 121.21 3f5o s GLU 98 Ca 0.00 1.67 -0.24 0.00 0.02 0.00 0.00 54.97 56.42 3f5o s GLU 98 Cb 0.00 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 3f5o s GLU 98 CO 0.00 0.15 0.73 -0.51 0.02 0.00 0.00 175.26 175.65 3f5o s ASP 99 N -0.28 7.10 0.17 -0.19 1.01 -1.26 -0.98 116.67 122.23 3f5o s ASP 99 Ca 0.48 1.32 0.10 0.00 0.71 0.00 0.00 52.55 55.16 3f5o s ASP 99 Cb -0.28 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3f5o s ASP 99 CO 0.35 -0.05 -0.23 0.27 0.21 0.00 0.00 175.17 175.72 3f5o s ILE 100 N 0.35 2.18 -0.10 0.77 -4.36 0.33 -0.99 121.20 119.38 3f5o s ILE 100 Ca 0.38 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 3f5o s ILE 100 Cb -0.19 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 3f5o s ILE 100 CO 0.20 -0.10 -0.22 -0.69 0.24 0.00 0.00 174.94 174.37 3f5o s VAL 101 N -1.55 2.26 -0.24 8.37 1.01 0.55 -1.55 120.40 129.26 3f5o s VAL 101 Ca 0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 3f5o s VAL 101 Cb -0.08 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3f5o s VAL 101 CO 0.08 0.56 -0.09 -0.63 0.00 0.00 0.00 175.10 175.02 3f5o s ILE 102 N 0.23 2.68 -0.20 2.22 1.09 0.28 -0.69 121.20 126.80 3f5o s ILE 102 Ca -0.14 -1.06 -0.02 0.00 -1.10 0.00 0.00 60.65 58.33 3f5o s ILE 102 Cb -0.17 -2.34 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 3f5o s ILE 102 CO 0.07 0.24 -0.10 -0.89 -0.10 0.00 0.00 174.94 174.16 3f5o s THR 103 N 1.30 2.87 -0.05 2.92 2.01 -0.12 -1.00 115.64 123.57 3f5o s THR 103 Ca 0.00 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.39 3f5o s THR 103 Cb -0.16 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 3f5o s THR 103 CO -0.06 0.47 -0.22 0.00 -0.69 0.00 0.00 174.62 174.12 3f5o s ALA 104 N 1.37 2.32 0.01 7.40 0.00 0.13 -1.24 121.76 131.75 3f5o s ALA 104 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3f5o s ALA 104 Cb -0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3f5o s ALA 104 CO -0.07 0.48 -0.03 -3.38 0.00 0.00 0.00 175.76 172.77 3f5o s HIS 105 N -0.43 0.27 -0.15 0.00 -3.43 -0.03 -1.48 115.29 110.03 3f5o s HIS 105 Ca 0.05 -0.20 -0.29 0.00 -0.80 0.00 0.00 55.06 53.82 3f5o s HIS 105 Cb -0.12 -0.17 -0.01 0.00 -1.43 0.00 0.00 32.58 30.86 3f5o s HIS 105 CO 0.01 -0.05 1.01 0.08 -2.00 0.00 0.00 174.74 173.79 3f5o s VAL 106 N -0.51 4.76 -0.06 -5.38 1.01 0.64 -1.10 120.40 119.76 3f5o s VAL 106 Ca -0.04 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.91 3f5o s VAL 106 Cb -0.04 -4.30 -0.28 0.00 0.00 0.00 0.00 36.38 31.76 3f5o s VAL 106 CO -0.00 -0.05 0.61 -0.07 0.00 0.00 0.00 175.10 175.59 3f5o h LEU 107 N 8.45 0.42 -7.00 3.92 3.38 -0.53 -3.49 115.31 120.47 3f5o h LEU 107 Ca -0.27 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 56.98 3f5o h LEU 107 Cb 1.12 -0.14 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 3f5o h LEU 107 CO 0.89 1.65 0.28 -0.75 0.09 0.00 0.00 178.44 180.60 3f5o s LYS 108 N -2.58 0.64 -0.03 1.13 2.47 -1.14 -5.00 119.74 115.22 3f5o s LYS 108 Ca -0.15 0.82 0.05 0.00 -1.56 0.00 0.00 55.97 55.12 3f5o s LYS 108 Cb 0.06 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.71 3f5o s LYS 108 CO 0.82 -0.09 -0.17 -0.65 0.16 0.00 0.00 175.35 175.42 3f5o s GLN 109 N 0.53 1.67 0.00 4.03 -0.21 -1.26 -0.78 119.66 123.64 3f5o s GLN 109 Ca -0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.76 3f5o s GLN 109 Cb -0.05 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.46 3f5o s GLN 109 CO -0.06 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.81 3f5o n GLY 110 N 2.99 4.38 0.24 3.09 0.00 -0.21 -5.02 105.19 110.67 3f5o n GLY 110 Ca -0.17 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 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 0.56 0.00 1.61 1.57 -2.01 -3.37 116.57 114.93 3f5o h LYS 111 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3f5o h LYS 111 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3f5o h LYS 111 CO 0.00 0.37 -0.34 0.25 -0.57 0.00 0.00 179.45 179.16 3f5o n THR 112 N -4.86 0.00 -4.60 -0.16 -2.24 -1.26 -4.80 114.28 96.36 3f5o n THR 112 Ca 0.08 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 3f5o n THR 112 Cb 0.20 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.82 2.09 0.05 3.22 1.43 -1.26 0.10 118.68 122.49 3f5o s LEU 113 Ca 0.00 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 3f5o s LEU 113 Cb 0.00 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3f5o s LEU 113 CO 0.00 0.14 -0.19 0.00 0.23 0.00 0.00 176.35 176.53 3f5o s ALA 114 N -0.55 1.58 -0.05 4.21 0.00 0.24 -1.04 121.76 126.14 3f5o s ALA 114 Ca 0.05 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.04 3f5o s ALA 114 Cb -0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 3f5o s ALA 114 CO 0.00 0.33 -0.19 -0.06 0.00 0.00 0.00 175.76 175.85 3f5o s PHE 115 N -0.87 1.89 0.07 0.00 0.40 0.04 -0.79 117.98 118.72 3f5o s PHE 115 Ca 0.05 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3f5o s PHE 115 Cb -0.09 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 3f5o s PHE 115 CO 0.02 -0.19 -0.06 0.95 0.70 0.00 0.00 175.22 176.64 3f5o s THR 116 N 0.03 0.51 0.04 0.64 -4.23 -0.07 0.26 115.64 112.82 3f5o s THR 116 Ca -0.05 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3f5o s THR 116 Cb -0.12 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 3f5o s THR 116 CO 0.03 -0.79 -0.11 -0.55 -0.54 0.00 0.00 174.62 172.66 3f5o s SER 117 N -2.65 1.27 -0.02 3.99 0.15 -0.26 -1.22 113.70 114.96 3f5o s SER 117 Ca 0.05 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3f5o s SER 117 Cb 0.02 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.32 3f5o s SER 117 CO -0.05 -0.07 0.01 -0.69 1.20 0.00 0.00 173.24 173.65 3f5o s VAL 118 N -1.03 0.08 -0.13 4.45 1.01 -0.36 -0.85 120.40 123.57 3f5o s VAL 118 Ca -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3f5o s VAL 118 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3f5o s VAL 118 CO 0.01 0.12 -0.04 -1.81 0.00 0.00 0.00 175.10 173.38 3f5o s ASP 119 N 1.00 4.81 -0.16 3.32 1.01 -0.37 -0.68 116.67 125.60 3f5o s ASP 119 Ca -0.09 -0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.04 3f5o s ASP 119 Cb -0.13 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 3f5o s ASP 119 CO -0.02 0.24 0.02 -0.76 0.21 0.00 0.00 175.17 174.86 3f5o s LEU 120 N -0.07 3.62 0.08 1.23 1.02 0.03 -0.94 118.68 123.65 3f5o s LEU 120 Ca 0.02 0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.25 3f5o s LEU 120 Cb -0.13 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 3f5o s LEU 120 CO 0.03 0.21 -0.12 0.42 0.02 0.00 0.00 176.35 176.91 3f5o s THR 121 N 0.14 0.99 0.03 5.49 -4.23 0.13 -0.31 115.64 117.88 3f5o s THR 121 Ca 0.03 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 3f5o s THR 121 Cb -0.13 -1.12 -0.06 0.00 1.34 0.00 0.00 72.50 72.53 3f5o s THR 121 CO 0.01 -0.37 1.33 0.21 -0.54 0.00 0.00 174.62 175.27 3f5o s ASN 122 N -1.99 6.92 0.22 3.99 3.84 -0.27 -0.33 114.94 127.32 3f5o s ASN 122 Ca -0.00 2.11 -0.09 0.00 0.21 0.00 0.00 52.86 55.09 3f5o s ASN 122 Cb -0.07 -2.57 0.18 0.00 -0.55 0.00 0.00 41.25 38.24 3f5o s ASN 122 CO 0.01 -0.64 1.87 0.50 -2.79 0.00 0.00 177.10 176.06 3f5o h LYS 123 N 7.33 1.11 0.02 0.43 3.64 -1.37 0.84 116.57 128.56 3f5o h LYS 123 Ca -0.39 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3f5o h LYS 123 Cb 1.19 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3f5o h LYS 123 CO 0.87 0.76 -0.01 0.00 -2.27 0.00 0.00 179.45 178.80 3f5o h ALA 124 N 1.28 -0.03 0.00 5.00 0.00 -1.92 -3.35 119.26 120.23 3f5o h ALA 124 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f5o h ALA 124 Cb -0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3f5o h ALA 124 CO -0.06 -0.28 -1.16 0.25 0.00 0.00 0.00 179.25 178.00 3f5o n THR 125 N -4.88 0.15 -0.84 0.00 -2.24 -1.22 -4.97 114.28 100.27 3f5o n THR 125 Ca -0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3f5o n THR 125 Cb 0.25 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.36 0.44 3.76 3.38 0.00 0.29 -4.99 105.19 109.42 3f5o n GLY 126 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3f5o n GLY 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f5o s LYS 127 N -0.63 4.40 0.07 1.61 2.20 -1.25 -4.64 119.74 121.50 3f5o s LYS 127 Ca 0.00 2.13 -0.31 0.00 -0.36 0.00 0.00 55.97 57.43 3f5o s LYS 127 Cb 0.00 -3.11 -0.08 0.00 -1.51 0.00 0.00 37.83 33.13 3f5o s LYS 127 CO 0.00 -0.14 1.67 -0.51 -0.36 0.00 0.00 175.35 176.00 3f5o s LEU 128 N -1.41 4.37 -0.19 5.43 1.43 -1.26 -1.11 118.68 125.94 3f5o s LEU 128 Ca 0.50 2.51 -0.17 0.00 -1.03 0.00 0.00 54.13 55.93 3f5o s LEU 128 Cb -0.38 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.14 3f5o s LEU 128 CO 0.48 -0.90 0.08 -0.38 0.23 0.00 0.00 176.35 175.86 3f5o n ILE 129 N 4.73 1.50 -3.57 -0.59 5.41 0.58 -3.91 119.36 123.50 3f5o n ILE 129 Ca 0.16 0.05 -0.11 0.00 1.00 0.00 0.00 62.75 63.85 3f5o n ILE 129 Cb 0.40 -2.15 -0.04 0.00 -0.71 0.00 0.00 39.64 37.14 3f5o n ILE 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3f5o s ALA 130 N -2.49 -1.17 -0.02 -1.39 0.00 -1.09 -0.57 121.76 115.04 3f5o s ALA 130 Ca -0.24 0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.85 3f5o s ALA 130 Cb 0.05 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.96 3f5o s ALA 130 CO 0.47 -0.71 -0.05 -1.14 0.00 0.00 0.00 175.76 174.33 3f5o s GLN 131 N -3.79 0.53 0.20 0.00 0.74 -0.54 -0.79 119.66 116.00 3f5o s GLN 131 Ca 0.03 -0.15 0.05 0.00 0.05 0.00 0.00 55.36 55.34 3f5o s GLN 131 Cb 0.00 -0.54 -0.05 0.00 1.10 0.00 0.00 33.01 33.53 3f5o s GLN 131 CO -0.11 0.05 -0.06 0.20 -0.55 0.00 0.00 175.29 174.81 3f5o s GLY 132 N 0.23 1.35 0.06 2.59 0.00 0.14 -0.76 107.32 110.94 3f5o s GLY 132 Ca -0.02 -1.65 0.06 0.00 0.00 0.00 0.00 44.72 43.10 3f5o s GLY 132 CO -0.00 -1.66 -0.16 -1.60 0.00 0.00 0.00 173.10 169.68 3f5o s ARG 133 N -3.78 0.97 -0.16 2.90 3.52 -0.56 -1.22 118.95 120.62 3f5o s ARG 133 Ca 0.23 -0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 3f5o s ARG 133 Cb 0.04 -1.04 0.08 0.00 -1.56 0.00 0.00 34.95 32.46 3f5o s ARG 133 CO 0.05 0.25 0.32 -1.58 -0.81 0.00 0.00 175.30 173.53 3f5o s HIS 134 N -1.05 -0.56 -0.14 5.12 5.65 -0.36 -1.44 115.29 122.51 3f5o s HIS 134 Ca 0.02 1.13 -0.03 0.00 0.25 0.00 0.00 55.06 56.43 3f5o s HIS 134 Cb -0.09 0.07 -0.03 0.00 -1.18 0.00 0.00 32.58 31.35 3f5o s HIS 134 CO 0.02 -0.42 -0.04 0.99 -0.65 0.00 0.00 174.74 174.64 3f5o s THR 135 N 2.49 3.88 0.09 0.89 2.01 0.22 -0.90 115.64 124.31 3f5o s THR 135 Ca 0.01 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 61.71 3f5o s THR 135 Cb -0.12 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 3f5o s THR 135 CO -0.10 0.51 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.59 3f5o s LYS 136 N 0.14 1.18 -0.19 4.92 1.02 0.03 -0.46 119.74 126.38 3f5o s LYS 136 Ca -0.01 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 3f5o s LYS 136 Cb -0.14 -1.40 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 3f5o s LYS 136 CO 0.03 0.33 0.17 -1.58 -0.92 0.00 0.00 175.35 173.38 3f5o s HIS 137 N -1.07 3.42 -0.19 3.18 5.65 0.56 -0.60 115.29 126.25 3f5o s HIS 137 Ca 0.06 0.39 -0.10 0.00 0.25 0.00 0.00 55.06 55.66 3f5o s HIS 137 Cb -0.10 -2.20 -0.05 0.00 -1.18 0.00 0.00 32.58 29.05 3f5o s HIS 137 CO 0.04 0.28 0.15 -0.51 -0.65 0.00 0.00 174.74 174.05 3f5o s LEU 138 N 0.37 4.22 0.00 8.88 1.43 0.12 -1.07 118.68 132.63 3f5o s LEU 138 Ca 0.10 0.28 0.28 0.00 -1.03 0.00 0.00 54.13 53.76 3f5o s LEU 138 Cb -0.11 -2.13 1.12 0.00 0.03 0.00 0.00 46.19 45.10 3f5o s LEU 138 CO -0.01 0.18 1.79 0.61 0.23 0.00 0.00 176.35 179.15