#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 0.76 -0.03 -1.46 -1.53 -1.99 -1.32 114.93 109.35 3f5o h MET 4 Ca 0.00 -0.23 0.01 0.00 -3.44 0.00 0.00 59.70 56.03 3f5o h MET 4 Cb 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 30.97 3f5o h MET 4 CO 0.00 0.82 -0.01 1.15 0.14 0.00 0.00 176.91 179.01 3f5o h THR 5 N 0.60 0.96 -0.58 -0.77 2.02 -1.97 -1.62 112.91 111.54 3f5o h THR 5 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3f5o h THR 5 Cb 0.47 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3f5o h THR 5 CO 0.02 0.00 0.33 -0.61 0.37 0.00 0.00 175.52 175.63 3f5o h GLN 6 N -0.01 0.80 -0.61 6.66 5.75 -1.95 0.13 115.11 125.88 3f5o h GLN 6 Ca 0.02 -0.09 0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3f5o h GLN 6 Cb 0.03 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.37 3f5o h GLN 6 CO -0.03 0.60 0.33 0.77 -2.65 0.00 0.00 178.83 177.85 3f5o h SER 7 N 0.79 0.47 0.21 -0.69 0.02 -1.18 -1.55 113.55 111.62 3f5o h SER 7 Ca 0.21 0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 61.01 3f5o h SER 7 Cb 0.03 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3f5o h SER 7 CO -0.03 0.31 -0.70 0.25 -1.14 0.00 0.00 176.83 175.52 3f5o h LEU 8 N 0.61 0.51 -1.00 5.07 5.85 -0.73 -2.11 115.31 123.51 3f5o h LEU 8 Ca 0.28 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3f5o h LEU 8 Cb 0.18 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3f5o h LEU 8 CO -0.18 1.05 0.66 -0.09 -0.34 0.00 0.00 178.44 179.54 3f5o h ARG 9 N 0.30 1.29 -0.40 1.25 2.43 -0.50 -0.70 114.38 118.05 3f5o h ARG 9 Ca -0.02 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3f5o h ARG 9 Cb 1.26 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3f5o h ARG 9 CO 0.12 0.85 0.14 0.93 -1.51 0.00 0.00 179.97 180.50 3f5o h GLU 10 N 1.33 0.61 -0.26 0.20 5.08 -0.95 -0.98 114.58 119.59 3f5o h GLU 10 Ca 0.38 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 3f5o h GLU 10 Cb -0.10 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.00 3f5o h GLU 10 CO -0.10 0.60 -0.16 0.28 -1.00 0.00 0.00 179.01 178.63 3f5o h VAL 11 N 0.49 0.54 -0.70 3.13 2.07 -0.88 -1.21 116.25 119.69 3f5o h VAL 11 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 3f5o h VAL 11 Cb 0.24 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3f5o h VAL 11 CO -0.01 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.29 3f5o h ILE 12 N -0.14 0.76 -0.58 4.57 2.04 -0.95 -0.86 117.51 122.35 3f5o h ILE 12 Ca 0.14 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3f5o h ILE 12 Cb 0.35 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3f5o h ILE 12 CO -0.35 0.09 0.36 0.11 0.00 0.00 0.00 178.15 178.36 3f5o h LYS 13 N 0.50 0.69 -0.19 2.37 1.57 -0.43 -2.34 116.57 118.73 3f5o h LYS 13 Ca 0.36 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3f5o h LYS 13 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3f5o h LYS 13 CO -0.33 0.46 0.13 0.00 -0.57 0.00 0.00 179.45 179.14 3f5o h ALA 14 N 1.25 0.24 -0.87 3.86 0.00 -0.68 -2.56 119.26 120.50 3f5o h ALA 14 Ca 0.23 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.35 3f5o h ALA 14 Cb 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 3f5o h ALA 14 CO -0.09 -0.28 0.33 0.52 0.00 0.00 0.00 179.25 179.73 3f5o h MET 15 N 0.26 0.33 -0.91 0.00 2.07 -0.82 -0.40 114.93 115.46 3f5o h MET 15 Ca 0.07 -0.02 0.18 0.00 -2.07 0.00 0.00 59.70 57.86 3f5o h MET 15 Cb -0.03 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 29.56 3f5o h MET 15 CO -0.02 0.22 0.59 1.15 1.07 0.00 0.00 176.91 179.92 3f5o h THR 16 N 0.34 0.74 -0.08 2.22 2.02 -0.99 -1.99 112.91 115.16 3f5o h THR 16 Ca 0.54 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3f5o h THR 16 Cb 1.04 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3f5o h THR 16 CO -0.56 0.10 0.00 0.29 0.37 0.00 0.00 175.52 175.72 3f5o n LYS 17 N -4.56 1.87 -2.36 6.66 4.01 -0.17 -4.88 118.16 118.72 3f5o n LYS 17 Ca 0.19 -1.27 -0.35 0.00 -0.51 0.00 0.00 58.31 56.37 3f5o n LYS 17 Cb 0.60 -1.46 -0.01 0.00 -0.51 0.00 0.00 35.03 33.64 3f5o n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3f5o s ALA 18 N -1.91 2.82 -0.19 7.82 0.00 -0.75 -4.95 121.76 124.59 3f5o s ALA 18 Ca 0.35 0.77 0.19 0.00 0.00 0.00 0.00 51.96 53.27 3f5o s ALA 18 Cb 0.20 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3f5o s ALA 18 CO 0.31 -0.58 1.09 0.00 0.00 0.00 0.00 175.76 176.59 3f5o h ARG 19 N 1.52 0.00 0.00 0.00 3.08 -1.93 -3.41 114.38 113.64 3f5o h ARG 19 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3f5o h ARG 19 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3f5o h ARG 19 CO 0.58 0.22 0.00 0.27 -1.07 0.00 0.00 179.97 179.97 3f5o n ASN 20 N -2.92 0.00 0.30 7.04 0.23 -1.26 -4.92 115.26 113.73 3f5o n ASN 20 Ca -0.03 -0.98 0.19 0.00 -0.53 0.00 0.00 54.58 53.23 3f5o n ASN 20 Cb 0.70 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.24 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 -0.82 0.00 0.00 -2.53 3.57 -1.99 -2.44 116.94 112.74 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 -0.01 0.93 -2.23 0.00 0.00 178.31 177.00 3f5o h GLU 22 N 0.00 0.00 -0.14 1.11 4.39 -1.92 -2.15 114.58 115.86 3f5o h GLU 22 Ca -0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3f5o h GLU 22 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3f5o h GLU 22 CO 0.00 0.01 0.17 0.07 -1.16 0.00 0.00 179.01 178.10 3f5o h ARG 23 N 0.00 0.00 0.00 2.33 0.11 -1.48 -3.13 114.38 112.21 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 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 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 -0.77 0.08 -1.51 -1.63 -1.24 116.25 111.18 3f5o h VAL 24 Ca 0.07 -0.33 -0.23 0.00 -1.23 0.00 0.00 66.70 64.97 3f5o h VAL 24 Cb 0.42 1.17 -0.14 0.00 -2.13 0.00 0.00 31.29 30.61 3f5o h VAL 24 CO -0.00 0.00 0.29 0.18 -1.23 0.00 0.00 177.57 176.81 3f5o n LEU 25 N -2.56 6.21 0.27 4.19 4.77 -1.18 -4.68 117.00 124.01 3f5o n LEU 25 Ca 0.01 -3.24 0.17 0.00 -0.03 0.00 0.00 56.01 52.93 3f5o n LEU 25 Cb 0.26 -0.76 0.92 0.00 -2.33 0.00 0.00 43.42 41.51 3f5o n LEU 25 CO 0.23 0.82 1.14 1.23 -1.33 0.00 0.00 177.39 179.47 3f5o h GLY 26 N 2.68 0.00 1.57 -0.72 0.00 -1.42 -2.53 103.07 102.65 3f5o h GLY 26 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3f5o h GLY 26 CO 0.77 0.00 -0.24 0.28 0.00 0.00 0.00 176.54 177.35 3f5o n LYS 27 N -3.69 0.08 -1.68 4.80 4.76 -1.26 -4.76 118.16 116.40 3f5o n LYS 27 Ca -0.01 0.04 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 3f5o n LYS 27 Cb 0.19 -1.57 0.05 0.00 -1.84 0.00 0.00 35.03 31.86 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 -3.04 3.37 0.05 -0.18 -4.36 -0.95 -4.66 121.20 111.43 3f5o s ILE 28 Ca 0.12 0.59 0.07 0.00 -0.26 0.00 0.00 60.65 61.16 3f5o s ILE 28 Cb 0.17 -3.11 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 3f5o s ILE 28 CO 0.62 -0.44 -0.19 0.42 0.24 0.00 0.00 174.94 175.59 3f5o s THR 29 N -2.50 1.49 -0.13 8.37 -4.23 0.66 -4.97 115.64 114.33 3f5o s THR 29 Ca 0.65 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.75 3f5o s THR 29 Cb -0.19 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 3f5o s THR 29 CO 0.45 0.08 0.54 -0.22 -0.54 0.00 0.00 174.62 174.92 3f5o s LEU 30 N -1.33 4.25 -0.21 4.79 2.96 -1.26 -0.32 118.68 127.55 3f5o s LEU 30 Ca 0.05 0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 3f5o s LEU 30 Cb -0.09 -2.78 -0.13 0.00 0.50 0.00 0.00 46.19 43.69 3f5o s LEU 30 CO 0.02 -0.07 -0.08 0.52 -1.32 0.00 0.00 176.35 175.42 3f5o n VAL 31 N 3.93 1.51 -3.69 1.68 0.31 0.43 -4.94 118.33 117.56 3f5o n VAL 31 Ca -0.05 -0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 64.07 3f5o n VAL 31 Cb 0.51 -2.10 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 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 -6.72 -0.33 -0.06 4.52 1.04 -1.00 -5.00 113.70 106.15 3f5o s SER 32 Ca -0.29 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.44 3f5o s SER 32 Cb 0.07 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3f5o s SER 32 CO 0.48 -0.50 -0.13 0.00 0.98 0.00 0.00 173.24 174.06 3f5o s ALA 33 N -1.31 1.30 0.15 5.32 0.00 -1.26 -1.50 121.76 124.47 3f5o s ALA 33 Ca -0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 3f5o s ALA 33 Cb -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3f5o s ALA 33 CO 0.06 0.16 0.24 0.00 0.00 0.00 0.00 175.76 176.22 3f5o s ALA 34 N 0.45 0.13 -0.05 0.00 0.00 -0.16 -4.56 121.76 117.57 3f5o s ALA 34 Ca -0.11 -0.96 -0.34 0.00 0.00 0.00 0.00 51.96 50.54 3f5o s ALA 34 Cb -0.14 0.84 -0.12 0.00 0.00 0.00 0.00 23.12 23.70 3f5o s ALA 34 CO 0.03 -0.61 1.84 -2.30 0.00 0.00 0.00 175.76 174.71 3f5o n PRO 35 N -0.19 2.16 -1.12 0.00 -0.02 -1.25 -1.34 135.00 133.25 3f5o n PRO 35 Ca -0.08 0.79 -0.04 0.00 -2.02 0.00 0.00 63.50 62.16 3f5o n PRO 35 Cb 0.63 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 4.26 0.54 3.03 -1.23 0.00 0.10 -4.97 105.19 106.91 3f5o n GLY 36 Ca 0.22 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.86 0.18 -0.03 1.61 2.20 -0.45 -0.59 119.74 120.80 3f5o s LYS 37 Ca 0.00 0.67 0.04 0.00 -0.36 0.00 0.00 55.97 56.33 3f5o s LYS 37 Cb 0.00 -0.06 -0.00 0.00 -1.51 0.00 0.00 37.83 36.25 3f5o s LYS 37 CO 0.00 -0.24 -0.16 0.08 -0.36 0.00 0.00 175.35 174.67 3f5o s VAL 38 N 1.98 1.31 -0.14 4.02 1.01 -0.61 -0.99 120.40 126.97 3f5o s VAL 38 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3f5o s VAL 38 Cb -0.11 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3f5o s VAL 38 CO -0.09 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.56 3f5o s ILE 39 N -0.06 1.96 0.28 2.22 1.01 -0.56 -0.51 121.20 125.55 3f5o s ILE 39 Ca -0.01 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.82 3f5o s ILE 39 Cb -0.10 -1.75 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 3f5o s ILE 39 CO 0.01 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.36 3f5o s GLU 41 N -3.62 1.02 -0.15 0.00 2.02 0.56 -0.43 118.70 118.10 3f5o s GLU 41 Ca 0.29 -1.29 -0.15 0.00 0.02 0.00 0.00 54.97 53.84 3f5o s GLU 41 Cb 0.00 -0.78 0.04 0.00 0.10 0.00 0.00 34.13 33.49 3f5o s GLU 41 CO 0.13 0.13 0.42 1.41 0.02 0.00 0.00 175.26 177.37 3f5o s MET 42 N -2.99 0.51 -0.05 1.61 1.75 -0.51 -0.24 119.30 119.38 3f5o s MET 42 Ca 0.11 0.52 -0.18 0.00 -1.25 0.00 0.00 55.69 54.88 3f5o s MET 42 Cb -0.03 0.25 -0.05 0.00 2.84 0.00 0.00 34.83 37.84 3f5o s MET 42 CO 0.02 -0.07 0.51 0.21 -0.65 0.00 0.00 175.02 175.04 3f5o s LYS 43 N 0.08 4.26 -0.16 4.11 2.20 -1.26 -0.71 119.74 128.26 3f5o s LYS 43 Ca -0.01 0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 3f5o s LYS 43 Cb -0.03 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 3f5o s LYS 43 CO 0.01 0.33 1.43 0.08 -0.36 0.00 0.00 175.35 176.84 3f5o s VAL 44 N 0.03 3.98 0.43 4.02 1.01 0.63 -4.94 120.40 125.56 3f5o s VAL 44 Ca 0.28 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.48 3f5o s VAL 44 Cb -0.17 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3f5o s VAL 44 CO 0.13 -0.18 0.08 -1.61 0.00 0.00 0.00 175.10 173.52 3f5o s GLU 45 N 3.91 2.09 0.26 2.72 2.02 -1.26 -0.12 118.70 128.33 3f5o s GLU 45 Ca 0.63 -2.07 -0.01 0.00 0.02 0.00 0.00 54.97 53.54 3f5o s GLU 45 Cb -0.25 -1.75 0.55 0.00 0.10 0.00 0.00 34.13 32.79 3f5o s GLU 45 CO 0.22 -0.15 1.73 1.49 0.02 0.00 0.00 175.26 178.57 3f5o h GLU 46 N 1.55 0.46 0.00 1.61 4.81 -1.98 0.19 114.58 121.21 3f5o h GLU 46 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3f5o h GLU 46 Cb 1.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3f5o h GLU 46 CO 0.75 0.30 0.00 -0.85 -0.73 0.00 0.00 179.01 178.49 3f5o n GLU 47 N -4.99 0.11 0.00 1.92 0.28 -1.26 -1.61 120.64 115.09 3f5o n GLU 47 Ca 0.17 0.59 0.10 0.00 -0.16 0.00 0.00 57.16 57.87 3f5o n GLU 47 Cb 0.49 -1.84 -0.06 0.00 1.43 0.00 0.00 31.44 31.46 3f5o n GLU 47 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3f5o n HIS 48 N -2.07 0.00 -3.22 -1.84 8.25 0.05 -5.03 115.22 111.36 3f5o n HIS 48 Ca -0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 3f5o n HIS 48 Cb 0.03 -0.01 -0.00 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 -2.80 4.61 0.05 1.59 -4.23 -0.63 -1.32 115.64 112.90 3f5o s THR 49 Ca 0.12 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3f5o s THR 49 Cb 0.17 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.33 3f5o s THR 49 CO 0.75 -0.45 0.06 -0.46 -0.54 0.00 0.00 174.62 173.98 3f5o n ASN 50 N -1.90 0.10 0.25 3.99 0.23 -0.06 -4.64 115.26 113.23 3f5o n ASN 50 Ca -0.02 -1.08 0.17 0.00 -0.53 0.00 0.00 54.58 53.12 3f5o n ASN 50 Cb 0.57 -0.04 0.77 0.00 -2.08 0.00 0.00 39.78 39.00 3f5o n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f5o h ALA 51 N -0.29 1.00 -0.66 -2.53 0.00 -2.00 -2.10 119.26 112.68 3f5o h ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f5o h ALA 51 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f5o h ALA 51 CO 0.02 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.71 3f5o n ILE 52 N -2.85 1.51 -1.23 0.00 -5.35 -1.26 -4.98 119.36 105.21 3f5o n ILE 52 Ca -0.00 -1.13 -0.08 0.00 -0.27 0.00 0.00 62.75 61.27 3f5o n ILE 52 Cb 0.21 0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.35 3f5o n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f5o n GLY 53 N 1.27 0.98 3.79 3.28 0.00 -0.79 -5.04 105.19 108.69 3f5o n GLY 53 Ca 0.25 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.27 2.43 0.12 2.61 -4.23 -1.26 -2.89 115.64 110.15 3f5o s THR 54 Ca 0.00 -1.56 -0.33 0.00 -1.18 0.00 0.00 61.69 58.62 3f5o s THR 54 Cb 0.00 -2.99 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 3f5o s THR 54 CO 0.00 0.00 1.70 -0.11 -0.54 0.00 0.00 174.62 175.67 3f5o n LEU 55 N -1.37 3.47 -4.73 4.79 7.94 0.84 -0.89 117.00 127.06 3f5o n LEU 55 Ca 0.01 1.05 -0.42 0.00 -1.11 0.00 0.00 56.01 55.54 3f5o n LEU 55 Cb 0.63 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 3f5o n LEU 55 CO 0.44 -0.09 0.90 -2.28 -1.11 0.00 0.00 177.39 175.25 3f5o s HIS 56 N 1.77 3.42 0.52 1.96 5.65 -0.43 -4.71 115.29 123.46 3f5o s HIS 56 Ca 0.81 1.34 0.21 0.00 0.25 0.00 0.00 55.06 57.67 3f5o s HIS 56 Cb -0.62 -3.45 1.33 0.00 -1.18 0.00 0.00 32.58 28.67 3f5o s HIS 56 CO 0.39 -1.33 2.05 0.78 -0.65 0.00 0.00 174.74 175.98 3f5o h GLY 57 N 5.93 0.03 2.00 1.59 0.00 -1.91 -0.83 103.07 109.88 3f5o h GLY 57 Ca -0.43 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 3f5o h GLY 57 CO 0.78 0.01 -0.68 -1.33 0.00 0.00 0.00 176.54 175.32 3f5o h GLY 58 N 0.02 0.00 1.11 4.60 0.00 -1.97 -1.25 103.07 105.58 3f5o h GLY 58 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.32 3f5o h GLY 58 CO -0.01 0.00 -0.51 -2.00 0.00 0.00 0.00 176.54 174.02 3f5o h LEU 59 N 0.00 0.93 -0.60 3.11 5.85 -1.53 -1.01 115.31 122.06 3f5o h LEU 59 Ca -0.01 -0.53 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3f5o h LEU 59 Cb 1.22 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 3f5o h LEU 59 CO 0.09 1.29 0.29 0.74 -0.34 0.00 0.00 178.44 180.51 3f5o h THR 60 N 0.60 0.91 -0.73 1.05 2.02 -1.19 0.18 112.91 115.74 3f5o h THR 60 Ca 0.01 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.02 3f5o h THR 60 Cb 1.12 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3f5o h THR 60 CO 0.12 0.10 0.47 0.00 0.37 0.00 0.00 175.52 176.58 3f5o h ALA 61 N 1.34 0.93 -0.62 6.16 0.00 -1.11 -0.45 119.26 125.52 3f5o h ALA 61 Ca 0.28 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3f5o h ALA 61 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3f5o h ALA 61 CO -0.21 0.31 0.01 1.15 0.00 0.00 0.00 179.25 180.51 3f5o h THR 62 N 0.95 1.27 -0.23 0.00 2.02 -0.01 -0.90 112.91 116.01 3f5o h THR 62 Ca 0.28 -1.15 0.02 0.00 0.77 0.00 0.00 66.41 66.33 3f5o h THR 62 Cb -0.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3f5o h THR 62 CO -0.08 0.42 0.10 -0.07 0.37 0.00 0.00 175.52 176.26 3f5o h LEU 63 N 0.98 0.14 -0.36 2.58 3.38 -0.23 0.18 115.31 121.98 3f5o h LEU 63 Ca 0.18 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3f5o h LEU 63 Cb 0.55 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3f5o h LEU 63 CO 0.03 0.11 0.14 0.58 0.09 0.00 0.00 178.44 179.40 3f5o h VAL 64 N 0.22 0.92 0.65 1.22 2.07 -0.80 -0.71 116.25 119.82 3f5o h VAL 64 Ca 0.10 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3f5o h VAL 64 Cb 0.04 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3f5o h VAL 64 CO -0.08 0.06 -0.34 -0.78 0.02 0.00 0.00 177.57 176.44 3f5o h ASP 65 N 0.31 -0.83 -0.24 0.57 1.82 -0.95 -2.43 116.42 114.67 3f5o h ASP 65 Ca 0.16 0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.75 3f5o h ASP 65 Cb 0.12 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 3f5o h ASP 65 CO -0.15 -0.56 -0.18 0.78 -1.61 0.00 0.00 179.24 177.51 3f5o h ASN 66 N -0.91 0.57 0.06 2.28 -0.26 -0.54 -1.86 115.58 114.92 3f5o h ASN 66 Ca -0.09 -0.45 -0.17 0.00 -0.56 0.00 0.00 56.30 55.03 3f5o h ASN 66 Cb 0.71 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 3f5o h ASN 66 CO 0.12 0.90 -0.60 0.40 -1.06 0.00 0.00 177.43 177.20 3f5o h ILE 67 N 0.25 1.33 -0.58 2.81 1.08 -1.21 -0.18 117.51 121.00 3f5o h ILE 67 Ca 0.04 -1.88 -0.07 0.00 -0.39 0.00 0.00 64.86 62.56 3f5o h ILE 67 Cb 0.72 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.30 3f5o h ILE 67 CO 0.05 0.58 0.07 0.77 -0.69 0.00 0.00 178.15 178.93 3f5o h SER 68 N 0.40 0.91 -0.73 1.72 4.64 -1.47 -1.73 113.55 117.30 3f5o h SER 68 Ca -0.00 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3f5o h SER 68 Cb 1.16 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 3f5o h SER 68 CO 0.11 0.93 0.46 0.74 -0.87 0.00 0.00 176.83 178.20 3f5o h THR 69 N 0.90 1.20 -0.93 2.95 2.02 -0.61 -1.64 112.91 116.80 3f5o h THR 69 Ca 0.18 -0.43 0.07 0.00 0.77 0.00 0.00 66.41 67.00 3f5o h THR 69 Cb 0.42 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 3f5o h THR 69 CO 0.01 0.21 0.59 0.24 0.37 0.00 0.00 175.52 176.94 3f5o h MET 70 N 1.00 1.04 -0.49 6.66 2.07 -0.76 -0.84 114.93 123.61 3f5o h MET 70 Ca 0.27 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.77 3f5o h MET 70 Cb -0.06 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.42 3f5o h MET 70 CO -0.05 0.69 0.06 0.00 1.07 0.00 0.00 176.91 178.67 3f5o h ALA 71 N 1.43 1.19 -0.34 6.32 0.00 -0.51 -2.19 119.26 125.15 3f5o h ALA 71 Ca 0.41 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3f5o h ALA 71 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3f5o h ALA 71 CO -0.18 0.54 -0.25 -0.07 0.00 0.00 0.00 179.25 179.30 3f5o h LEU 72 N 0.74 0.69 -2.43 0.00 3.38 -0.53 -2.39 115.31 114.77 3f5o h LEU 72 Ca 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3f5o h LEU 72 Cb 0.36 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3f5o h LEU 72 CO 0.01 0.91 -0.03 -0.07 0.09 0.00 0.00 178.44 179.36 3f5o h LEU 73 N 0.59 0.00 -3.79 1.67 3.38 -0.59 -2.87 115.31 113.70 3f5o h LEU 73 Ca 0.08 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.51 3f5o h LEU 73 Cb 0.73 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.24 3f5o h LEU 73 CO 0.06 0.03 0.70 0.00 0.09 0.00 0.00 178.44 179.31 3f5o s THR 75 N -3.81 1.80 0.14 0.00 -4.23 -1.08 -0.73 115.64 107.73 3f5o s THR 75 Ca 0.52 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 58.71 3f5o s THR 75 Cb 0.41 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3f5o s THR 75 CO -0.00 -0.23 1.69 -0.08 -0.54 0.00 0.00 174.62 175.46 3f5o h GLU 76 N 2.16 -0.01 -0.64 3.99 4.22 -1.90 -2.03 114.58 120.37 3f5o h GLU 76 Ca -0.41 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.00 3f5o h GLU 76 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3f5o h GLU 76 CO 0.69 -0.01 0.28 -0.09 -2.18 0.00 0.00 179.01 177.71 3f5o h ARG 77 N -0.01 0.95 -0.17 1.92 2.43 -1.95 -3.46 114.38 114.08 3f5o h ARG 77 Ca 0.12 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3f5o h ARG 77 Cb 0.19 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3f5o h ARG 77 CO -0.26 0.78 -0.07 0.41 -1.51 0.00 0.00 179.97 179.32 3f5o n GLY 78 N -0.89 0.58 3.72 2.80 0.00 -0.76 -4.99 105.19 105.64 3f5o n GLY 78 Ca 0.04 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3f5o n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5o s ALA 79 N -1.83 3.23 0.04 4.61 0.00 -1.26 -4.57 121.76 121.98 3f5o s ALA 79 Ca 0.00 0.40 0.20 0.00 0.00 0.00 0.00 51.96 52.56 3f5o s ALA 79 Cb 0.00 -3.20 0.56 0.00 0.00 0.00 0.00 23.12 20.49 3f5o s ALA 79 CO 0.00 -0.16 1.67 -1.00 0.00 0.00 0.00 175.76 176.27 3f5o h PRO 80 N 6.64 0.00 0.00 0.00 0.13 -1.86 -3.41 132.00 133.50 3f5o h PRO 80 Ca -0.41 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.79 3f5o h PRO 80 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3f5o h PRO 80 CO 0.75 0.35 -0.10 0.41 -0.23 0.00 0.00 178.00 179.18 3f5o n GLY 81 N 0.54 -1.14 3.16 1.56 0.00 -0.68 -4.91 105.19 103.73 3f5o n GLY 81 Ca 0.01 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.42 1.27 0.26 1.61 -7.23 -0.47 -4.92 120.40 110.49 3f5o s VAL 82 Ca 0.00 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 3f5o s VAL 82 Cb 0.00 -1.09 -0.11 0.00 0.56 0.00 0.00 36.38 35.74 3f5o s VAL 82 CO 0.00 0.21 1.55 -0.44 -0.31 0.00 0.00 175.10 176.11 3f5o s SER 83 N -0.77 6.48 -0.14 4.85 0.01 -1.26 -0.13 113.70 122.74 3f5o s SER 83 Ca 0.05 2.82 -0.08 0.00 1.31 0.00 0.00 55.95 60.05 3f5o s SER 83 Cb -0.07 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 3f5o s SER 83 CO 0.00 -0.84 -0.19 0.52 0.41 0.00 0.00 173.24 173.14 3f5o n VAL 84 N 2.56 0.85 -3.80 3.43 0.31 0.29 -4.83 118.33 117.15 3f5o n VAL 84 Ca 0.09 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 3f5o n VAL 84 Cb 0.38 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.45 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 -6.32 -0.07 0.01 4.52 1.01 -1.08 -5.02 116.67 109.72 3f5o s ASP 85 Ca -0.21 0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.27 3f5o s ASP 85 Cb 0.08 0.14 -0.01 0.00 1.01 0.00 0.00 42.92 44.14 3f5o s ASP 85 CO 0.26 -0.08 -0.07 -0.32 0.21 0.00 0.00 175.17 175.17 3f5o s MET 86 N 0.57 0.52 0.05 8.23 -2.45 -1.26 -0.78 119.30 124.19 3f5o s MET 86 Ca -0.04 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.04 3f5o s MET 86 Cb -0.06 -0.45 -0.03 0.00 1.25 0.00 0.00 34.83 35.54 3f5o s MET 86 CO -0.02 0.12 -0.10 0.54 1.05 0.00 0.00 175.02 176.60 3f5o s ASN 87 N -0.57 1.15 -0.02 1.11 2.20 -0.49 -4.99 114.94 113.33 3f5o s ASN 87 Ca -0.01 -0.57 -0.01 0.00 -0.94 0.00 0.00 52.86 51.33 3f5o s ASN 87 Cb -0.05 0.01 0.01 0.00 -2.00 0.00 0.00 41.25 39.22 3f5o s ASN 87 CO 0.00 -0.16 0.04 -0.63 -2.94 0.00 0.00 177.10 173.41 3f5o s ILE 88 N -1.34 -0.02 -0.10 0.54 1.09 -1.26 -1.60 121.20 118.52 3f5o s ILE 88 Ca -0.07 0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.57 3f5o s ILE 88 Cb -0.10 -0.08 -0.01 0.00 -1.06 0.00 0.00 42.46 41.22 3f5o s ILE 88 CO 0.01 0.03 -0.21 -0.89 -0.10 0.00 0.00 174.94 173.78 3f5o s THR 89 N 0.34 2.38 -0.35 2.92 2.01 0.55 -4.99 115.64 118.51 3f5o s THR 89 Ca -0.03 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 3f5o s THR 89 Cb -0.04 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.59 3f5o s THR 89 CO -0.01 0.55 0.12 -0.31 -0.69 0.00 0.00 174.62 174.29 3f5o s TYR 90 N 0.18 3.27 -0.21 4.92 1.51 -1.26 -1.45 117.35 124.31 3f5o s TYR 90 Ca -0.12 -1.44 0.09 0.00 -1.01 0.00 0.00 57.07 54.59 3f5o s TYR 90 Cb -0.16 -2.36 -0.21 0.00 -0.11 0.00 0.00 41.96 39.11 3f5o s TYR 90 CO 0.07 -0.74 -0.01 -1.33 -1.11 0.00 0.00 175.55 172.43 3f5o n MET 91 N 4.82 0.67 -3.75 -0.62 2.81 0.62 -5.00 117.12 116.67 3f5o n MET 91 Ca -0.12 0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 3f5o n MET 91 Cb 0.44 -1.55 -0.09 0.00 -0.71 0.00 0.00 33.22 31.31 3f5o n MET 91 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3f5o s SER 92 N -6.08 -0.26 0.51 7.83 0.01 -0.92 -4.99 113.70 109.79 3f5o s SER 92 Ca -0.22 0.32 -0.19 0.00 1.31 0.00 0.00 55.95 57.17 3f5o s SER 92 Cb 0.07 0.46 -0.07 0.00 0.21 0.00 0.00 66.02 66.69 3f5o s SER 92 CO 0.72 -0.34 1.06 -2.16 0.41 0.00 0.00 173.24 172.93 3f5o s PRO 93 N -0.81 3.65 -0.23 12.44 0.04 -1.26 -4.61 135.00 144.22 3f5o s PRO 93 Ca -0.09 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 3f5o s PRO 93 Cb -0.04 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3f5o s PRO 93 CO 0.03 -0.56 -0.01 0.00 0.04 0.00 0.00 177.00 176.49 3f5o s ALA 94 N -2.03 2.90 0.46 8.56 0.00 -1.26 -4.99 121.76 125.40 3f5o s ALA 94 Ca 0.68 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 3f5o s ALA 94 Cb -0.17 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 3f5o s ALA 94 CO 0.24 -0.46 0.80 0.15 0.00 0.00 0.00 175.76 176.49 3f5o s LYS 95 N 1.51 3.65 0.14 0.00 1.02 -1.26 -0.12 119.74 124.68 3f5o s LYS 95 Ca 0.06 0.36 -0.35 0.00 0.02 0.00 0.00 55.97 56.06 3f5o s LYS 95 Cb -0.15 -2.36 -0.15 0.00 -0.52 0.00 0.00 37.83 34.65 3f5o s LYS 95 CO -0.02 -0.16 1.42 -0.11 -0.92 0.00 0.00 175.35 175.57 3f5o n LEU 96 N -1.89 2.36 0.00 3.17 0.00 -1.14 -1.65 117.00 117.85 3f5o n LEU 96 Ca 0.02 1.11 0.00 0.00 0.00 0.00 0.00 56.01 57.14 3f5o n LEU 96 Cb 0.55 -1.31 0.00 0.00 0.00 0.00 0.00 43.42 42.65 3f5o n LEU 96 CO 0.51 -0.71 0.00 0.61 0.00 0.00 0.00 177.39 177.80 3f5o n GLY 97 N 2.79 1.15 3.75 -3.96 0.00 0.83 -5.00 105.19 104.75 3f5o n GLY 97 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.49 4.86 -0.08 1.61 2.12 -0.66 -4.74 118.70 121.32 3f5o s GLU 98 Ca 0.00 1.49 -0.17 0.00 0.36 0.00 0.00 54.97 56.64 3f5o s GLU 98 Cb 0.00 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 3f5o s GLU 98 CO 0.00 0.52 0.46 0.34 -0.54 0.00 0.00 175.26 176.04 3f5o s ASP 99 N -1.18 6.73 0.14 -1.70 -1.08 -1.26 -0.27 116.67 118.05 3f5o s ASP 99 Ca 0.41 0.86 0.09 0.00 -0.52 0.00 0.00 52.55 53.39 3f5o s ASP 99 Cb -0.26 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 3f5o s ASP 99 CO 0.32 0.08 -0.19 0.27 0.52 0.00 0.00 175.17 176.17 3f5o s ILE 100 N 0.19 1.81 -0.09 4.11 -4.36 0.11 -0.96 121.20 122.00 3f5o s ILE 100 Ca 0.25 -1.79 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3f5o s ILE 100 Cb -0.16 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 3f5o s ILE 100 CO 0.11 -0.21 -0.17 -0.69 0.24 0.00 0.00 174.94 174.22 3f5o s VAL 101 N -1.71 2.72 -0.27 8.37 1.01 0.42 -1.42 120.40 129.52 3f5o s VAL 101 Ca 0.13 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3f5o s VAL 101 Cb -0.07 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.26 3f5o s VAL 101 CO 0.06 0.55 -0.06 -0.63 0.00 0.00 0.00 175.10 175.02 3f5o s ILE 102 N 0.01 2.69 -0.20 2.22 1.09 0.43 -0.91 121.20 126.52 3f5o s ILE 102 Ca -0.06 -1.32 -0.01 0.00 -1.10 0.00 0.00 60.65 58.15 3f5o s ILE 102 Cb -0.15 -2.48 0.01 0.00 -1.06 0.00 0.00 42.46 38.78 3f5o s ILE 102 CO 0.05 0.04 -0.12 -0.89 -0.10 0.00 0.00 174.94 173.92 3f5o s THR 103 N 1.24 2.73 -0.09 2.92 2.01 -0.04 -1.10 115.64 123.31 3f5o s THR 103 Ca -0.04 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3f5o s THR 103 Cb -0.19 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3f5o s THR 103 CO -0.04 0.45 -0.15 0.00 -0.69 0.00 0.00 174.62 174.20 3f5o s ALA 104 N 1.38 2.60 -0.03 7.40 0.00 0.33 -1.08 121.76 132.36 3f5o s ALA 104 Ca 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3f5o s ALA 104 Cb -0.14 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 3f5o s ALA 104 CO -0.08 0.40 -0.18 -1.01 0.00 0.00 0.00 175.76 174.90 3f5o s HIS 105 N -0.19 1.73 -0.18 0.00 3.76 0.02 -1.58 115.29 118.86 3f5o s HIS 105 Ca -0.00 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.17 3f5o s HIS 105 Cb -0.13 -1.15 -0.00 0.00 1.11 0.00 0.00 32.58 32.41 3f5o s HIS 105 CO 0.03 -0.12 1.11 0.08 -0.85 0.00 0.00 174.74 174.99 3f5o s VAL 106 N -0.13 4.55 -0.04 -0.90 1.01 0.25 -1.09 120.40 124.06 3f5o s VAL 106 Ca -0.00 1.87 -0.07 0.00 0.00 0.00 0.00 61.98 63.78 3f5o s VAL 106 Cb -0.10 -4.20 -0.29 0.00 0.00 0.00 0.00 36.38 31.79 3f5o s VAL 106 CO 0.01 -0.13 0.70 -0.07 0.00 0.00 0.00 175.10 175.62 3f5o h LEU 107 N 9.20 0.50 -7.00 3.92 3.38 -0.72 -3.48 115.31 121.11 3f5o h LEU 107 Ca -0.24 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 56.98 3f5o h LEU 107 Cb 1.09 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 41.45 3f5o h LEU 107 CO 0.95 1.65 0.24 -0.75 0.09 0.00 0.00 178.44 180.62 3f5o s LYS 108 N -2.59 0.68 -0.12 1.13 2.47 -1.13 -5.00 119.74 115.18 3f5o s LYS 108 Ca -0.14 0.87 0.03 0.00 -1.56 0.00 0.00 55.97 55.17 3f5o s LYS 108 Cb 0.06 0.30 0.01 0.00 -1.46 0.00 0.00 37.83 36.74 3f5o s LYS 108 CO 0.84 -0.09 -0.20 -0.65 0.16 0.00 0.00 175.35 175.41 3f5o s GLN 109 N 0.54 2.77 0.00 4.03 -0.21 -1.26 -0.69 119.66 124.84 3f5o s GLN 109 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.61 3f5o s GLN 109 Cb -0.05 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3f5o s GLN 109 CO -0.05 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 3f5o n GLY 110 N 3.97 4.50 0.07 3.09 0.00 0.11 -5.01 105.19 111.93 3f5o n GLY 110 Ca -0.20 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 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 0.09 0.00 1.61 1.63 -2.00 -3.36 116.57 114.54 3f5o h LYS 111 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3f5o h LYS 111 Cb 0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3f5o h LYS 111 CO 0.00 0.06 0.00 0.25 -3.45 0.00 0.00 179.45 176.31 3f5o n THR 112 N -5.06 0.00 -4.28 1.00 -2.24 -1.26 -4.84 114.28 97.60 3f5o n THR 112 Ca -0.05 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.07 3f5o n THR 112 Cb 0.05 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.75 2.16 0.04 3.22 1.43 -1.26 0.21 118.68 122.72 3f5o s LEU 113 Ca 0.00 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 3f5o s LEU 113 Cb 0.00 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 3f5o s LEU 113 CO 0.00 0.00 -0.15 0.00 0.23 0.00 0.00 176.35 176.43 3f5o s ALA 114 N -0.81 1.27 -0.08 4.21 0.00 -0.12 0.09 121.76 126.32 3f5o s ALA 114 Ca -0.00 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.15 3f5o s ALA 114 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3f5o s ALA 114 CO 0.01 0.25 -0.20 -0.06 0.00 0.00 0.00 175.76 175.76 3f5o s PHE 115 N -0.80 2.14 0.06 0.00 0.40 0.13 -0.79 117.98 119.13 3f5o s PHE 115 Ca 0.03 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 3f5o s PHE 115 Cb -0.08 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 3f5o s PHE 115 CO 0.01 -0.34 -0.05 -0.08 0.70 0.00 0.00 175.22 175.46 3f5o s THR 116 N 0.37 0.47 0.06 0.64 -1.32 -0.07 0.06 115.64 115.84 3f5o s THR 116 Ca -0.15 -1.59 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 3f5o s THR 116 Cb -0.16 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.57 3f5o s THR 116 CO 0.06 -0.75 -0.12 -0.55 -2.21 0.00 0.00 174.62 171.06 3f5o s SER 117 N -2.49 1.36 -0.01 8.08 0.15 -0.25 -0.86 113.70 119.68 3f5o s SER 117 Ca 0.02 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3f5o s SER 117 Cb 0.01 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 3f5o s SER 117 CO -0.04 -0.11 0.01 -0.69 1.20 0.00 0.00 173.24 173.60 3f5o s VAL 118 N -1.27 0.01 -0.09 4.45 1.01 -0.20 -0.80 120.40 123.51 3f5o s VAL 118 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3f5o s VAL 118 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 3f5o s VAL 118 CO 0.01 0.07 -0.13 -1.81 0.00 0.00 0.00 175.10 173.24 3f5o s ASP 119 N 0.67 4.08 -0.17 3.32 1.01 -0.24 -0.80 116.67 124.54 3f5o s ASP 119 Ca -0.06 -0.25 -0.02 0.00 0.71 0.00 0.00 52.55 52.93 3f5o s ASP 119 Cb -0.08 -1.27 -0.01 0.00 1.01 0.00 0.00 42.92 42.56 3f5o s ASP 119 CO -0.02 0.25 -0.08 -0.76 0.21 0.00 0.00 175.17 174.77 3f5o s LEU 120 N -0.16 2.86 0.12 1.23 1.02 -0.03 -0.86 118.68 122.85 3f5o s LEU 120 Ca -0.00 -0.33 0.06 0.00 0.02 0.00 0.00 54.13 53.88 3f5o s LEU 120 Cb -0.13 -1.69 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 3f5o s LEU 120 CO 0.03 0.09 -0.14 0.42 0.02 0.00 0.00 176.35 176.77 3f5o s THR 121 N 0.82 1.36 0.05 5.49 -4.23 -0.09 -0.52 115.64 118.52 3f5o s THR 121 Ca -0.03 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.47 3f5o s THR 121 Cb -0.15 -1.54 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 3f5o s THR 121 CO 0.01 -0.39 1.39 0.21 -0.54 0.00 0.00 174.62 175.30 3f5o s ASN 122 N -2.43 6.85 0.28 3.99 3.84 0.10 -0.44 114.94 127.14 3f5o s ASN 122 Ca 0.09 2.19 -0.04 0.00 0.21 0.00 0.00 52.86 55.31 3f5o s ASN 122 Cb -0.05 -2.57 0.37 0.00 -0.55 0.00 0.00 41.25 38.44 3f5o s ASN 122 CO 0.03 -0.68 1.95 0.50 -2.79 0.00 0.00 177.10 176.11 3f5o h LYS 123 N 7.43 1.18 -0.04 0.43 3.64 -1.36 0.12 116.57 127.97 3f5o h LYS 123 Ca -0.40 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 3f5o h LYS 123 Cb 1.19 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3f5o h LYS 123 CO 0.88 0.79 -0.22 0.00 -2.27 0.00 0.00 179.45 178.63 3f5o h ALA 124 N 1.43 0.08 0.00 5.00 0.00 -1.92 -3.37 119.26 120.48 3f5o h ALA 124 Ca 0.33 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3f5o h ALA 124 Cb -0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3f5o h ALA 124 CO -0.07 0.07 -1.76 0.25 0.00 0.00 0.00 179.25 177.74 3f5o n THR 125 N -4.53 0.30 -0.94 0.00 -2.24 -1.21 -4.98 114.28 100.68 3f5o n THR 125 Ca -0.09 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3f5o n THR 125 Cb 0.45 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.28 0.76 3.76 3.38 0.00 0.42 -5.00 105.19 109.80 3f5o n GLY 126 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.18 4.60 -0.05 1.61 -0.14 -1.26 -4.61 119.74 119.72 3f5o s LYS 127 Ca 0.00 1.84 -0.30 0.00 -1.36 0.00 0.00 55.97 56.16 3f5o s LYS 127 Cb 0.00 -3.17 -0.05 0.00 -1.68 0.00 0.00 37.83 32.93 3f5o s LYS 127 CO 0.00 0.17 1.54 -1.17 -0.76 0.00 0.00 175.35 175.13 3f5o s LEU 128 N -1.50 4.30 -0.13 3.17 2.96 -1.26 -0.72 118.68 125.50 3f5o s LEU 128 Ca 0.45 2.15 -0.25 0.00 -0.22 0.00 0.00 54.13 56.26 3f5o s LEU 128 Cb -0.33 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.56 3f5o s LEU 128 CO 0.42 -0.86 0.68 0.40 -1.32 0.00 0.00 176.35 175.67 3f5o h ILE 129 N 5.37 1.52 -2.53 6.68 2.04 -1.06 -3.33 117.51 126.20 3f5o h ILE 129 Ca -0.37 -2.36 -0.00 0.00 1.00 0.00 0.00 64.86 63.12 3f5o h ILE 129 Cb 1.17 3.10 -0.15 0.00 -0.74 0.00 0.00 36.82 40.20 3f5o h ILE 129 CO 0.94 0.59 0.27 0.00 0.00 0.00 0.00 178.15 179.96 3f5o s ALA 130 N -2.31 -1.70 0.00 1.87 0.00 -1.09 -0.28 121.76 118.26 3f5o s ALA 130 Ca -0.20 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3f5o s ALA 130 Cb -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 3f5o s ALA 130 CO 0.71 -0.62 -0.05 -1.14 0.00 0.00 0.00 175.76 174.65 3f5o s GLN 131 N -2.82 0.39 0.13 0.00 0.74 -0.53 -0.85 119.66 116.72 3f5o s GLN 131 Ca -0.02 -0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.16 3f5o s GLN 131 Cb -0.01 -0.34 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 3f5o s GLN 131 CO -0.06 0.09 -0.07 0.20 -0.55 0.00 0.00 175.29 174.91 3f5o s GLY 132 N -0.35 0.94 0.07 2.59 0.00 0.02 -0.33 107.32 110.26 3f5o s GLY 132 Ca -0.00 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.34 3f5o s GLY 132 CO -0.00 -1.51 -0.16 -1.60 0.00 0.00 0.00 173.10 169.83 3f5o s ARG 133 N -3.82 0.91 -0.16 2.90 3.52 -0.62 -1.03 118.95 120.65 3f5o s ARG 133 Ca 0.15 -0.97 -0.04 0.00 -0.13 0.00 0.00 55.73 54.74 3f5o s ARG 133 Cb 0.04 -0.97 0.08 0.00 -1.56 0.00 0.00 34.95 32.54 3f5o s ARG 133 CO -0.02 0.22 0.25 -1.58 -0.81 0.00 0.00 175.30 173.37 3f5o s HIS 134 N -1.19 -0.40 -0.20 5.12 5.65 -0.04 -1.39 115.29 122.84 3f5o s HIS 134 Ca 0.00 0.73 -0.09 0.00 0.25 0.00 0.00 55.06 55.95 3f5o s HIS 134 Cb -0.10 -0.14 -0.04 0.00 -1.18 0.00 0.00 32.58 31.12 3f5o s HIS 134 CO 0.03 -0.45 0.11 0.99 -0.65 0.00 0.00 174.74 174.76 3f5o s THR 135 N 2.40 5.08 0.14 0.89 2.01 0.04 -0.90 115.64 125.31 3f5o s THR 135 Ca 0.04 0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.22 3f5o s THR 135 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3f5o s THR 135 CO -0.10 0.42 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.47 3f5o s LYS 136 N 0.59 1.51 -0.22 4.92 1.02 0.03 -0.55 119.74 127.06 3f5o s LYS 136 Ca 0.06 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 54.57 3f5o s LYS 136 Cb -0.12 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 3f5o s LYS 136 CO 0.01 0.44 0.22 -1.58 -0.92 0.00 0.00 175.35 173.52 3f5o s HIS 137 N -1.23 3.36 0.03 3.18 5.65 0.81 -0.94 115.29 126.15 3f5o s HIS 137 Ca 0.17 0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.84 3f5o s HIS 137 Cb -0.10 -2.31 -0.04 0.00 -1.18 0.00 0.00 32.58 28.95 3f5o s HIS 137 CO 0.08 0.10 0.12 -0.51 -0.65 0.00 0.00 174.74 173.89 3f5o s LEU 138 N 0.94 4.04 0.00 8.88 1.43 0.13 -1.37 118.68 132.73 3f5o s LEU 138 Ca 0.11 0.17 0.21 0.00 -1.03 0.00 0.00 54.13 53.59 3f5o s LEU 138 Cb -0.13 -2.51 1.28 0.00 0.03 0.00 0.00 46.19 44.85 3f5o s LEU 138 CO 0.04 0.23 1.66 0.61 0.23 0.00 0.00 176.35 179.12