#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3frf s LEU 2 N 0.00 1.62 0.10 -4.42 2.96 -1.26 -0.58 118.68 117.09 3frf s LEU 2 Ca 0.00 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.28 3frf s LEU 2 Cb 0.00 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 3frf s LEU 2 CO 0.00 -0.21 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.17 3frf s SER 3 N 1.65 2.61 0.22 3.68 0.01 -0.35 -0.03 113.70 121.48 3frf s SER 3 Ca -0.00 -0.67 -0.23 0.00 1.31 0.00 0.00 55.95 56.36 3frf s SER 3 Cb -0.16 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.83 3frf s SER 3 CO -0.07 0.09 0.78 -0.63 0.41 0.00 0.00 173.24 173.82 3frf s ILE 4 N -1.09 4.42 -0.12 1.44 1.01 -0.40 0.29 121.20 126.75 3frf s ILE 4 Ca 0.07 1.55 -0.01 0.00 0.00 0.00 0.00 60.65 62.27 3frf s ILE 4 Cb -0.10 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.40 3frf s ILE 4 CO 0.04 0.33 -0.06 -0.22 0.00 0.00 0.00 174.94 175.03 3frf s LEU 5 N -1.64 1.20 -0.10 2.97 2.96 -0.00 -0.57 118.68 123.50 3frf s LEU 5 Ca 0.41 -0.36 -0.27 0.00 -0.22 0.00 0.00 54.13 53.69 3frf s LEU 5 Cb -0.20 -0.80 0.06 0.00 0.50 0.00 0.00 46.19 45.75 3frf s LEU 5 CO 0.24 -0.15 0.63 0.54 -1.32 0.00 0.00 176.35 176.29 3frf s VAL 6 N 1.73 0.01 -0.17 1.68 0.11 -0.98 -4.47 120.40 118.30 3frf s VAL 6 Ca 0.04 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 3frf s VAL 6 Cb -0.13 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 3frf s VAL 6 CO -0.08 -0.03 -0.16 0.00 -3.33 0.00 0.00 175.10 171.50 3frf s ALA 7 N -0.82 2.46 0.10 1.54 0.00 -1.26 -0.91 121.76 122.87 3frf s ALA 7 Ca -0.09 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.80 3frf s ALA 7 Cb -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3frf s ALA 7 CO 0.07 -0.21 -0.14 -3.38 0.00 0.00 0.00 175.76 172.10 3frf s HIS 8 N 1.09 1.31 0.00 0.00 -3.43 -0.13 -4.53 115.29 109.60 3frf s HIS 8 Ca -0.00 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 3frf s HIS 8 Cb -0.14 -0.71 0.00 0.00 -1.43 0.00 0.00 32.58 30.30 3frf s HIS 8 CO -0.05 0.10 0.00 -0.40 -2.00 0.00 0.00 174.74 172.39 3frf n ASP 9 N 0.81 0.00 0.24 7.38 5.75 -0.78 -0.42 116.55 129.52 3frf n ASP 9 Ca -0.18 -0.84 0.17 0.00 -0.01 0.00 0.00 54.79 53.93 3frf n ASP 9 Cb 0.56 0.00 0.78 0.00 -1.03 0.00 0.00 41.12 41.43 3frf n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3frf h LEU 10 N 0.00 0.00 -3.00 -2.12 3.38 -0.78 0.12 115.31 112.91 3frf h LEU 10 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3frf h LEU 10 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3frf h LEU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3frf n GLN 11 N -2.74 2.46 -1.08 1.13 6.02 -1.26 -4.98 117.38 116.94 3frf n GLN 11 Ca -0.01 -1.97 -0.03 0.00 -0.01 0.00 0.00 57.00 54.99 3frf n GLN 11 Cb 0.17 -1.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 3frf n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3frf n ARG 12 N -0.68 -0.32 -1.70 -1.09 1.74 0.43 -4.92 116.66 110.13 3frf n ARG 12 Ca 0.07 0.45 -0.44 0.00 -0.77 0.00 0.00 57.85 57.16 3frf n ARG 12 Cb 0.43 -3.98 -0.03 0.00 -1.02 0.00 0.00 32.46 27.85 3frf n ARG 12 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3frf n VAL 13 N -2.86 0.31 -0.01 1.55 0.31 -1.26 -0.59 118.33 115.79 3frf n VAL 13 Ca -0.03 -0.08 0.01 0.00 -0.01 0.00 0.00 64.34 64.24 3frf n VAL 13 Cb 0.12 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 3frf n VAL 13 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3frf n ILE 14 N 3.17 0.07 -3.83 2.52 -5.35 -0.56 -1.86 119.36 113.52 3frf n ILE 14 Ca 0.14 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 3frf n ILE 14 Cb 0.33 0.05 -0.10 0.00 -1.74 0.00 0.00 39.64 38.17 3frf n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3frf s GLY 15 N -2.77 -0.06 -0.04 3.28 0.00 -1.15 -4.60 107.32 101.98 3frf s GLY 15 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 3frf s GLY 15 CO 0.17 0.05 0.05 -0.12 0.00 0.00 0.00 173.10 173.26 3frf s PHE 16 N -0.93 0.04 -1.40 1.90 5.99 0.18 -0.76 117.98 123.01 3frf s PHE 16 Ca -0.10 0.23 -0.03 0.00 0.00 0.00 0.00 56.93 57.03 3frf s PHE 16 Cb -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 43.02 42.58 3frf s PHE 16 CO 0.02 -0.16 0.40 0.39 -0.00 0.00 0.00 175.22 175.86 3frf n GLU 17 N 4.93 -2.67 -1.25 10.12 1.02 -1.26 -1.51 120.64 130.03 3frf n GLU 17 Ca -0.11 0.35 -0.08 0.00 -0.02 0.00 0.00 57.16 57.29 3frf n GLU 17 Cb 0.50 -4.28 -0.04 0.00 -0.02 0.00 0.00 31.44 27.60 3frf n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3frf n ASN 18 N -2.92 -4.90 -4.48 1.62 3.02 -1.26 -4.96 115.26 101.38 3frf n ASN 18 Ca -0.29 0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.24 3frf n ASN 18 Cb 0.68 -3.14 -0.11 0.00 -0.61 0.00 0.00 39.78 36.60 3frf n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3frf s GLN 19 N -2.46 1.68 0.18 3.52 -0.21 -0.57 -4.76 119.66 117.04 3frf s GLN 19 Ca 0.00 -1.90 -0.30 0.00 0.02 0.00 0.00 55.36 53.18 3frf s GLN 19 Cb 0.00 -1.19 -0.09 0.00 1.00 0.00 0.00 33.01 32.73 3frf s GLN 19 CO 0.00 -0.04 1.34 -0.51 -2.12 0.00 0.00 175.29 173.96 3frf s LEU 20 N -3.52 4.40 0.00 2.90 1.43 -1.26 -0.65 118.68 121.98 3frf s LEU 20 Ca 0.33 2.40 0.27 0.00 -1.03 0.00 0.00 54.13 56.10 3frf s LEU 20 Cb 0.06 -3.60 1.25 0.00 0.03 0.00 0.00 46.19 43.93 3frf s LEU 20 CO 0.15 -0.58 1.88 -2.65 0.23 0.00 0.00 176.35 175.38 3frf n PRO 21 N 2.99 0.21 -4.33 1.29 -0.02 -1.26 -4.82 135.00 129.06 3frf n PRO 21 Ca 0.08 0.04 -0.24 0.00 -2.02 0.00 0.00 63.50 61.35 3frf n PRO 21 Cb 0.42 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.28 3frf n PRO 21 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3frf s TRP 22 N -2.77 1.94 -0.34 6.00 -2.14 -1.26 -5.04 118.94 115.33 3frf s TRP 22 Ca 0.20 -0.42 -0.12 0.00 2.66 0.00 0.00 56.10 58.41 3frf s TRP 22 Cb 0.18 -1.02 -0.01 0.00 -3.10 0.00 0.00 33.47 29.51 3frf s TRP 22 CO 0.44 0.30 0.23 -1.58 -2.66 0.00 0.00 176.95 173.67 3frf s HIS 23 N -1.45 3.22 -0.43 1.66 2.46 -1.26 -5.03 115.29 114.45 3frf s HIS 23 Ca 0.12 -0.35 0.05 0.00 0.47 0.00 0.00 55.06 55.35 3frf s HIS 23 Cb -0.09 -2.46 0.17 0.00 -0.13 0.00 0.00 32.58 30.08 3frf s HIS 23 CO 0.06 -0.41 0.49 -1.17 -2.47 0.00 0.00 174.74 171.24 3frf s LEU 24 N 1.69 -0.08 0.29 8.88 2.96 -1.26 -4.79 118.68 126.37 3frf s LEU 24 Ca 0.05 -2.11 0.04 0.00 -0.22 0.00 0.00 54.13 51.90 3frf s LEU 24 Cb -0.18 0.72 0.70 0.00 0.50 0.00 0.00 46.19 47.93 3frf s LEU 24 CO 0.09 -0.16 1.75 -0.65 -1.32 0.00 0.00 176.35 176.07 3frf h PRO 25 N 5.90 0.63 -0.62 0.98 0.11 -1.96 -1.29 132.00 135.75 3frf h PRO 25 Ca 0.13 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.22 3frf h PRO 25 Cb 1.03 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 3frf h PRO 25 CO 0.19 0.42 0.41 -0.91 -0.21 0.00 0.00 178.00 177.90 3frf h ASN 26 N 0.65 0.66 -0.33 -2.05 4.21 -1.95 -1.26 115.58 115.52 3frf h ASN 26 Ca 0.55 -0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.96 3frf h ASN 26 Cb 0.90 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 3frf h ASN 26 CO -0.41 0.46 -0.14 -0.78 -1.29 0.00 0.00 177.43 175.27 3frf h ASP 27 N 0.77 0.69 0.01 5.81 1.82 -1.67 -1.45 116.42 122.40 3frf h ASP 27 Ca 0.24 -0.40 -0.10 0.00 -0.39 0.00 0.00 57.03 56.38 3frf h ASP 27 Cb 0.01 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 3frf h ASP 27 CO -0.06 0.93 -0.31 -0.07 -1.61 0.00 0.00 179.24 178.13 3frf h LEU 28 N 0.44 0.45 -0.29 2.28 3.38 -1.29 -0.22 115.31 120.06 3frf h LEU 28 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3frf h LEU 28 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3frf h LEU 28 CO 0.04 0.74 0.11 0.50 0.09 0.00 0.00 178.44 179.92 3frf h LYS 29 N 0.38 0.44 -0.69 1.13 3.64 -1.21 -1.61 116.57 118.65 3frf h LYS 29 Ca 0.05 -0.08 0.15 0.00 -1.27 0.00 0.00 60.65 59.50 3frf h LYS 29 Cb 0.73 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.36 3frf h LYS 29 CO 0.06 0.47 -0.01 1.25 -2.27 0.00 0.00 179.45 178.95 3frf h HIS 30 N 0.32 -0.06 -0.35 1.91 2.76 -0.54 0.17 115.15 119.36 3frf h HIS 30 Ca 0.10 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3frf h HIS 30 Cb 0.20 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3frf h HIS 30 CO -0.00 -0.21 0.20 0.28 -1.30 0.00 0.00 177.93 176.90 3frf h VAL 31 N 0.10 1.12 -0.51 5.26 2.07 -0.78 -2.08 116.25 121.43 3frf h VAL 31 Ca 0.37 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3frf h VAL 31 Cb 0.63 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3frf h VAL 31 CO -0.61 0.12 0.30 0.50 0.02 0.00 0.00 177.57 177.90 3frf h LYS 32 N 0.45 0.70 -0.41 1.57 3.64 -0.31 -1.10 116.57 121.11 3frf h LYS 32 Ca 0.12 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3frf h LYS 32 Cb 0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3frf h LYS 32 CO -0.02 0.52 0.16 -0.22 -2.27 0.00 0.00 179.45 177.61 3frf h LYS 33 N 0.68 0.61 -0.18 1.90 3.64 -0.88 -1.88 116.57 120.47 3frf h LYS 33 Ca 0.18 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3frf h LYS 33 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3frf h LYS 33 CO -0.03 0.58 0.06 -0.07 -2.27 0.00 0.00 179.45 177.72 3frf h LEU 34 N 0.51 0.26 0.00 5.20 3.38 -1.07 -3.37 115.31 120.22 3frf h LEU 34 Ca 0.14 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3frf h LEU 34 Cb 0.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3frf h LEU 34 CO -0.01 0.38 -2.10 -1.54 0.09 0.00 0.00 178.44 175.26 3frf n SER 35 N -4.83 0.17 -4.65 -0.43 3.41 -0.44 -4.86 113.62 101.99 3frf n SER 35 Ca -0.04 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.08 3frf n SER 35 Cb 0.14 1.63 -0.05 0.00 -0.26 0.00 0.00 64.21 65.67 3frf n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3frf n THR 36 N -2.40 0.09 -0.29 6.66 -1.04 -0.71 -1.51 114.28 115.07 3frf n THR 36 Ca -0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3frf n THR 36 Cb 0.75 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3frf n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3frf n GLY 37 N 3.31 0.75 0.00 3.41 0.00 -0.10 -5.00 105.19 107.57 3frf n GLY 37 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3frf n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3frf n HIS 38 N -2.00 0.00 -5.10 1.61 -0.00 -0.57 -4.93 115.22 104.23 3frf n HIS 38 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 3frf n HIS 38 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 3frf n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3frf s THR 39 N 0.95 1.87 -0.01 1.59 2.01 -0.92 -0.85 115.64 120.27 3frf s THR 39 Ca 0.00 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 3frf s THR 39 Cb 0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 3frf s THR 39 CO 0.00 0.52 0.30 -0.76 -0.69 0.00 0.00 174.62 173.99 3frf s LEU 40 N 0.26 4.40 -0.08 4.42 1.43 -0.40 0.33 118.68 129.03 3frf s LEU 40 Ca -0.14 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 3frf s LEU 40 Cb -0.16 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.48 3frf s LEU 40 CO 0.07 0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 176.07 3frf s VAL 41 N -1.20 1.56 0.06 -1.59 1.01 0.18 -1.57 120.40 118.85 3frf s VAL 41 Ca 0.25 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3frf s VAL 41 Cb -0.14 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3frf s VAL 41 CO 0.13 0.45 0.17 0.00 0.00 0.00 0.00 175.10 175.85 3frf s MET 42 N 0.53 0.74 0.61 2.72 0.00 -0.49 0.10 119.30 123.51 3frf s MET 42 Ca -0.16 -0.81 -0.05 0.00 0.00 0.00 0.00 55.69 54.67 3frf s MET 42 Cb -0.17 0.30 0.02 0.00 0.00 0.00 0.00 34.83 34.99 3frf s MET 42 CO 0.06 -0.22 0.91 0.20 0.00 0.00 0.00 175.02 175.97 3frf s GLY 43 N -2.44 1.64 0.16 3.16 0.00 -0.41 0.90 107.32 110.33 3frf s GLY 43 Ca -0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 44.72 43.71 3frf s GLY 43 CO -0.07 -0.52 1.67 -0.09 0.00 0.00 0.00 173.10 174.09 3frf h ARG 44 N -0.24 -0.01 -0.77 2.90 1.12 -1.70 -2.10 114.38 113.57 3frf h ARG 44 Ca -0.45 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.39 3frf h ARG 44 Cb 1.28 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.20 3frf h ARG 44 CO 0.60 -0.01 0.34 0.87 -3.11 0.00 0.00 179.97 178.66 3frf h LYS 45 N -0.01 1.12 -0.61 0.20 1.57 -1.94 -1.33 116.57 115.58 3frf h LYS 45 Ca 0.18 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3frf h LYS 45 Cb 0.28 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3frf h LYS 45 CO -0.38 0.89 0.31 1.15 -0.57 0.00 0.00 179.45 180.84 3frf h THR 46 N 1.11 1.21 -0.20 -0.16 2.02 -1.74 -1.27 112.91 113.87 3frf h THR 46 Ca 0.26 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3frf h THR 46 Cb 0.16 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3frf h THR 46 CO -0.03 0.24 0.13 0.15 0.37 0.00 0.00 175.52 176.38 3frf h PHE 47 N 0.83 0.26 -0.42 3.16 3.04 -0.78 -0.02 116.94 123.01 3frf h PHE 47 Ca 0.21 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.29 3frf h PHE 47 Cb 0.09 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 3frf h PHE 47 CO -0.00 0.18 0.35 0.93 -2.02 0.00 0.00 178.31 177.75 3frf h GLU 48 N 0.27 0.00 -0.02 1.11 4.39 -1.04 2.74 114.58 122.03 3frf h GLU 48 Ca 0.07 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3frf h GLU 48 Cb -0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3frf h GLU 48 CO -0.02 0.00 -0.48 1.03 -1.16 0.00 0.00 179.01 178.39 3frf h SER 49 N 0.00 0.45 0.66 1.42 0.87 0.14 -3.27 113.55 113.82 3frf h SER 49 Ca 0.20 -0.74 -0.26 0.00 -1.23 0.00 0.00 61.79 59.76 3frf h SER 49 Cb 0.89 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3frf h SER 49 CO -0.00 1.13 -1.17 0.16 -0.53 0.00 0.00 176.83 176.42 3frf h ILE 50 N -0.19 1.52 0.00 2.23 3.07 -0.27 -3.48 117.51 120.39 3frf h ILE 50 Ca -0.06 -3.04 0.00 0.00 1.55 0.00 0.00 64.86 63.31 3frf h ILE 50 Cb 1.19 2.87 0.00 0.00 -0.27 0.00 0.00 36.82 40.61 3frf h ILE 50 CO 0.10 0.89 0.00 0.61 -1.05 0.00 0.00 178.15 178.69 3frf n GLY 51 N 1.43 2.22 3.35 0.16 0.00 0.91 -4.87 105.19 108.38 3frf n GLY 51 Ca -0.07 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 3frf n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3frf s LYS 52 N 0.00 1.38 0.58 1.61 -2.85 -1.26 -4.89 119.74 114.31 3frf s LYS 52 Ca 0.00 -1.71 -0.18 0.00 -1.00 0.00 0.00 55.97 53.08 3frf s LYS 52 Cb 0.00 -0.65 -0.04 0.00 -2.06 0.00 0.00 37.83 35.08 3frf s LYS 52 CO 0.00 -0.11 1.14 -1.25 0.10 0.00 0.00 175.35 175.23 3frf s PRO 53 N -3.87 3.18 -0.02 1.78 0.04 -1.26 -4.96 135.00 129.89 3frf s PRO 53 Ca 0.30 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3frf s PRO 53 Cb 0.06 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3frf s PRO 53 CO 0.10 -0.99 1.09 -0.51 0.04 0.00 0.00 177.00 176.73 3frf s LEU 54 N -4.07 4.32 0.29 -3.56 1.43 -1.26 -5.00 118.68 110.83 3frf s LEU 54 Ca 0.72 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 55.29 3frf s LEU 54 Cb -0.24 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.28 3frf s LEU 54 CO 0.31 -0.43 1.13 -2.65 0.23 0.00 0.00 176.35 174.94 3frf n PRO 55 N 4.45 1.58 -0.98 1.29 -0.02 -1.26 -3.91 135.00 136.16 3frf n PRO 55 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3frf n PRO 55 Cb 0.48 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3frf n PRO 55 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3frf n ASN 56 N 1.28 -2.05 -3.77 2.55 5.03 -1.26 -4.91 115.26 112.14 3frf n ASN 56 Ca 0.09 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.46 3frf n ASN 56 Cb 0.32 -0.40 -0.02 0.00 -1.02 0.00 0.00 39.78 38.66 3frf n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3frf s ARG 57 N -2.00 1.63 -0.52 3.52 1.70 -1.25 -0.92 118.95 121.11 3frf s ARG 57 Ca 0.00 -0.89 -0.26 0.00 -0.47 0.00 0.00 55.73 54.11 3frf s ARG 57 Cb 0.00 0.59 0.03 0.00 -0.57 0.00 0.00 34.95 35.00 3frf s ARG 57 CO 0.00 -0.73 1.02 0.50 -1.08 0.00 0.00 175.30 175.01 3frf s ARG 58 N -3.89 3.49 -0.09 3.89 3.52 -0.03 -4.88 118.95 120.97 3frf s ARG 58 Ca 0.09 0.11 -0.26 0.00 -0.13 0.00 0.00 55.73 55.54 3frf s ARG 58 Cb -0.04 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 29.34 3frf s ARG 58 CO 0.02 -1.43 0.85 -0.80 -0.81 0.00 0.00 175.30 173.13 3frf s ASN 59 N 2.63 7.10 -0.04 -2.12 0.01 -1.26 -1.27 114.94 119.99 3frf s ASN 59 Ca 0.38 1.34 0.03 0.00 -0.71 0.00 0.00 52.86 53.90 3frf s ASN 59 Cb -0.10 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3frf s ASN 59 CO 0.25 -0.28 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.76 3frf s VAL 60 N 1.42 0.97 -0.13 1.60 1.01 -0.61 -1.72 120.40 122.96 3frf s VAL 60 Ca 0.43 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3frf s VAL 60 Cb -0.18 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 3frf s VAL 60 CO 0.19 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 3frf s VAL 61 N 0.31 2.51 -0.26 2.92 1.01 -0.42 -1.39 120.40 125.07 3frf s VAL 61 Ca -0.06 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 3frf s VAL 61 Cb -0.11 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3frf s VAL 61 CO 0.01 0.54 0.54 -0.22 0.00 0.00 0.00 175.10 175.97 3frf s LEU 62 N 0.51 4.07 0.10 3.92 2.96 0.26 -1.75 118.68 128.74 3frf s LEU 62 Ca -0.12 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.15 3frf s LEU 62 Cb -0.16 -2.71 0.04 0.00 0.50 0.00 0.00 46.19 43.86 3frf s LEU 62 CO 0.05 -0.32 0.42 0.28 -1.32 0.00 0.00 176.35 175.46 3frf s THR 63 N 2.37 0.06 -0.91 3.68 -1.32 -1.01 -1.75 115.64 116.76 3frf s THR 63 Ca 0.22 -0.49 0.24 0.00 -1.21 0.00 0.00 61.69 60.45 3frf s THR 63 Cb -0.16 -1.08 -0.02 0.00 -1.51 0.00 0.00 72.50 69.73 3frf s THR 63 CO 0.09 -0.27 1.33 -1.54 -2.21 0.00 0.00 174.62 172.02 3frf n SER 64 N 0.02 0.57 -4.55 8.08 3.41 -1.26 -4.31 113.62 115.58 3frf n SER 64 Ca -0.17 -0.24 -0.40 0.00 -0.26 0.00 0.00 58.87 57.80 3frf n SER 64 Cb 0.62 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.89 3frf n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3frf s ASP 65 N -3.26 5.94 0.00 4.04 3.68 -1.26 -4.81 116.67 120.99 3frf s ASP 65 Ca 0.09 -0.34 0.20 0.00 2.13 0.00 0.00 52.55 54.64 3frf s ASP 65 Cb 0.17 -2.55 1.21 0.00 -1.45 0.00 0.00 42.92 40.29 3frf s ASP 65 CO 0.72 -1.97 1.62 0.35 0.13 0.00 0.00 175.17 176.02 3frf n THR 66 N 6.66 0.00 0.97 1.71 -2.24 -1.26 -0.73 114.28 119.39 3frf n THR 66 Ca 0.10 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 3frf n THR 66 Cb 0.50 -0.59 0.46 0.00 -2.10 0.00 0.00 70.33 68.60 3frf n THR 66 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3frf n SER 67 N -0.94 0.24 -4.65 3.42 2.88 -1.26 -4.91 113.62 108.40 3frf n SER 67 Ca 0.15 0.21 -0.43 0.00 -1.33 0.00 0.00 58.87 57.47 3frf n SER 67 Cb 0.07 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.30 3frf n SER 67 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3frf s PHE 68 N -3.01 2.33 -0.39 0.66 5.36 0.09 -4.94 117.98 118.07 3frf s PHE 68 Ca 0.12 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 56.73 3frf s PHE 68 Cb 0.18 -3.81 0.16 0.00 -0.34 0.00 0.00 43.02 39.21 3frf s PHE 68 CO 0.60 -2.78 0.44 1.21 -1.46 0.00 0.00 175.22 173.24 3frf s ASN 69 N 3.16 0.56 -0.09 6.13 2.47 -1.26 -4.96 114.94 120.95 3frf s ASN 69 Ca 0.66 -1.62 -0.00 0.00 0.42 0.00 0.00 52.86 52.31 3frf s ASN 69 Cb -0.26 0.79 -0.03 0.00 -1.45 0.00 0.00 41.25 40.31 3frf s ASN 69 CO 0.24 -0.22 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.65 3frf s VAL 70 N 1.31 3.71 -0.23 -5.21 1.01 -1.26 -5.04 120.40 114.68 3frf s VAL 70 Ca 0.19 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3frf s VAL 70 Cb -0.11 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3frf s VAL 70 CO -0.05 0.57 1.72 -1.61 0.00 0.00 0.00 175.10 175.74 3frf s GLU 71 N -0.49 3.65 0.00 2.72 0.41 -1.26 -1.79 118.70 121.95 3frf s GLU 71 Ca 0.07 1.68 0.00 0.00 -0.41 0.00 0.00 54.97 56.31 3frf s GLU 71 Cb -0.12 -4.11 0.00 0.00 -1.78 0.00 0.00 34.13 28.12 3frf s GLU 71 CO 0.02 -1.47 0.00 0.41 -0.49 0.00 0.00 175.26 173.73 3frf n GLY 72 N 4.93 1.02 3.06 -1.39 0.00 -1.26 -4.86 105.19 106.69 3frf n GLY 72 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3frf n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3frf s VAL 73 N -2.00 1.44 0.30 1.61 1.01 -0.74 -4.47 120.40 117.55 3frf s VAL 73 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 3frf s VAL 73 Cb 0.00 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 3frf s VAL 73 CO 0.00 0.43 0.95 -1.81 0.00 0.00 0.00 175.10 174.66 3frf s ASP 74 N 0.83 7.43 -0.05 3.32 -0.00 -0.70 -4.58 116.67 122.92 3frf s ASP 74 Ca -0.10 1.89 0.05 0.00 -0.00 0.00 0.00 52.55 54.38 3frf s ASP 74 Cb -0.15 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.16 3frf s ASP 74 CO 0.01 0.00 -0.21 0.54 -0.00 0.00 0.00 175.17 175.51 3frf s VAL 75 N -1.46 2.45 0.18 -1.27 0.11 -1.26 -1.29 120.40 117.85 3frf s VAL 75 Ca 0.47 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 3frf s VAL 75 Cb -0.21 -1.92 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 3frf s VAL 75 CO 0.27 0.57 -0.05 0.27 -3.33 0.00 0.00 175.10 172.84 3frf s ILE 76 N -0.37 1.01 0.00 7.04 -4.36 -0.72 -4.95 121.20 118.85 3frf s ILE 76 Ca 0.03 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3frf s ILE 76 Cb -0.12 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.52 3frf s ILE 76 CO 0.02 -0.55 0.01 1.41 0.24 0.00 0.00 174.94 176.07 3frf n HIS 77 N -0.28 0.00 -4.41 1.37 8.25 -1.26 -2.41 115.22 116.48 3frf n HIS 77 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.18 3frf n HIS 77 Cb 0.62 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.63 3frf n HIS 77 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3frf s SER 78 N -0.36 2.75 0.27 0.41 1.04 -1.26 -4.82 113.70 111.73 3frf s SER 78 Ca 0.00 -1.14 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 3frf s SER 78 Cb 0.00 -0.17 0.40 0.00 0.10 0.00 0.00 66.02 66.35 3frf s SER 78 CO 0.00 -0.28 1.90 0.40 0.98 0.00 0.00 173.24 176.25 3frf h ILE 79 N 2.35 1.13 0.00 -1.02 1.08 -2.01 -3.22 117.51 115.83 3frf h ILE 79 Ca -0.39 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3frf h ILE 79 Cb 1.23 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3frf h ILE 79 CO 0.65 0.22 0.00 -0.62 -0.69 0.00 0.00 178.15 177.71 3frf n GLU 80 N -4.47 0.15 0.23 2.37 -0.58 -1.26 -0.66 120.64 116.42 3frf n GLU 80 Ca 0.14 0.38 0.10 0.00 -0.42 0.00 0.00 57.16 57.35 3frf n GLU 80 Cb 0.14 -1.79 0.55 0.00 -0.57 0.00 0.00 31.44 29.77 3frf n GLU 80 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3frf h ASP 81 N 0.00 0.00 -0.80 1.62 3.32 -1.98 -3.20 116.42 115.38 3frf h ASP 81 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3frf h ASP 81 Cb 0.35 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3frf h ASP 81 CO 0.00 0.22 0.53 0.40 -1.72 0.00 0.00 179.24 178.67 3frf h ILE 82 N 0.00 1.15 0.00 0.35 2.04 -1.10 -1.60 117.51 118.36 3frf h ILE 82 Ca -0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3frf h ILE 82 Cb 0.57 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3frf h ILE 82 CO 0.03 0.19 0.00 -1.22 0.00 0.00 0.00 178.15 177.15 3frf n TYR 83 N -4.44 0.00 0.07 1.37 4.01 -1.21 -2.31 117.16 114.65 3frf n TYR 83 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.61 3frf n TYR 83 Cb 0.08 -0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 38.76 3frf n TYR 83 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3frf h GLN 84 N 0.00 0.38 -6.43 -0.72 7.50 -1.47 -3.47 115.11 110.91 3frf h GLN 84 Ca 0.00 -0.66 -0.62 0.00 0.50 0.00 0.00 58.65 57.87 3frf h GLN 84 Cb 0.17 0.24 0.08 0.00 0.05 0.00 0.00 27.48 28.02 3frf h GLN 84 CO 0.00 1.31 0.45 1.28 -1.50 0.00 0.00 178.83 180.37 3frf n LEU 85 N -3.58 2.21 -4.89 1.46 4.77 -0.98 -4.96 117.00 111.03 3frf n LEU 85 Ca -0.26 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.57 3frf n LEU 85 Cb 1.07 -1.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3frf n LEU 85 CO 0.51 -0.91 0.48 -2.16 -1.33 0.00 0.00 177.39 173.97 3frf s PRO 86 N -0.20 3.62 0.94 3.23 0.04 -1.26 -4.95 135.00 136.41 3frf s PRO 86 Ca 0.73 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.12 3frf s PRO 86 Cb -0.78 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3frf s PRO 86 CO 0.50 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.74 3frf n GLY 87 N -2.04 -1.77 3.58 0.56 0.00 -1.26 -4.69 105.19 99.57 3frf n GLY 87 Ca 0.02 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 3frf n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3frf s HIS 88 N 0.00 2.83 -0.22 1.61 5.65 -1.26 -2.81 115.29 121.10 3frf s HIS 88 Ca 0.00 0.52 -0.10 0.00 0.25 0.00 0.00 55.06 55.73 3frf s HIS 88 Cb 0.00 -4.25 -0.05 0.00 -1.18 0.00 0.00 32.58 27.10 3frf s HIS 88 CO 0.00 -1.24 0.13 0.08 -0.65 0.00 0.00 174.74 173.06 3frf s VAL 89 N 4.21 5.26 -0.25 0.89 1.01 0.25 -2.17 120.40 129.60 3frf s VAL 89 Ca 0.42 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 3frf s VAL 89 Cb -0.09 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3frf s VAL 89 CO 0.29 0.39 0.10 -0.36 0.00 0.00 0.00 175.10 175.52 3frf s PHE 90 N 0.74 3.14 -0.14 5.22 0.08 0.15 -1.22 117.98 125.95 3frf s PHE 90 Ca 0.07 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.60 3frf s PHE 90 Cb -0.13 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 3frf s PHE 90 CO 0.02 -0.26 1.37 0.42 -0.10 0.00 0.00 175.22 176.67 3frf s ILE 91 N 1.54 4.08 -0.48 0.64 -1.09 0.14 0.51 121.20 126.55 3frf s ILE 91 Ca 0.06 1.31 0.09 0.00 -2.23 0.00 0.00 60.65 59.87 3frf s ILE 91 Cb -0.15 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3frf s ILE 91 CO 0.05 -0.12 0.40 0.33 -1.23 0.00 0.00 174.94 174.37 3frf n PHE 92 N 6.79 0.00 0.00 3.97 -0.00 0.11 -0.82 117.46 127.52 3frf n PHE 92 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 3frf n PHE 92 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.92 3frf n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3frf n GLY 93 N 1.14 3.68 0.00 7.13 0.00 -1.26 -4.89 105.19 110.99 3frf n GLY 93 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3frf n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3frf n GLY 94 N -1.41 2.62 0.28 -0.02 0.00 -1.26 -1.29 105.19 104.11 3frf n GLY 94 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 3frf n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3frf h GLN 95 N 0.00 0.84 -0.84 1.61 4.15 -1.99 -0.40 115.11 118.49 3frf h GLN 95 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3frf h GLN 95 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 3frf h GLN 95 CO 0.00 0.55 0.43 1.15 -1.93 0.00 0.00 178.83 179.03 3frf h THR 96 N 0.86 1.25 -0.07 2.39 2.02 -1.94 -1.23 112.91 116.20 3frf h THR 96 Ca 0.30 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 3frf h THR 96 Cb 0.07 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3frf h THR 96 CO -0.13 0.29 -0.45 -0.07 0.37 0.00 0.00 175.52 175.53 3frf h LEU 97 N 1.18 0.52 -0.07 2.58 -0.00 -1.42 -1.99 115.31 116.11 3frf h LEU 97 Ca 0.29 -0.67 0.02 0.00 -0.00 0.00 0.00 57.88 57.52 3frf h LEU 97 Cb 0.08 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 3frf h LEU 97 CO -0.04 1.11 -0.06 -0.26 -0.00 0.00 0.00 178.44 179.18 3frf h PHE 98 N -0.03 -0.15 -0.85 1.13 0.05 -1.08 -0.18 116.94 115.83 3frf h PHE 98 Ca -0.04 0.01 0.18 0.00 3.82 0.00 0.00 57.97 61.94 3frf h PHE 98 Cb 1.11 0.08 -0.11 0.00 2.00 0.00 0.00 35.95 39.03 3frf h PHE 98 CO 0.13 -0.10 0.39 0.93 -0.18 0.00 0.00 178.31 179.48 3frf h GLU 99 N -0.08 0.47 0.00 1.51 5.08 -1.18 0.14 114.58 120.52 3frf h GLU 99 Ca 0.05 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3frf h GLU 99 Cb 0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3frf h GLU 99 CO -0.11 0.31 -0.37 0.93 -1.00 0.00 0.00 179.01 178.77 3frf h GLU 100 N 0.48 0.00 0.00 2.33 5.08 -0.58 -3.35 114.58 118.55 3frf h GLU 100 Ca 0.50 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.75 3frf h GLU 100 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3frf h GLU 100 CO -0.45 0.37 -1.75 -1.33 -1.00 0.00 0.00 179.01 174.84 3frf n MET 101 N -3.21 1.14 -0.00 2.33 2.81 -0.15 -4.64 117.12 115.39 3frf n MET 101 Ca 0.02 -0.07 0.21 0.00 -1.81 0.00 0.00 57.70 56.05 3frf n MET 101 Cb 0.66 -1.33 0.70 0.00 -0.71 0.00 0.00 33.22 32.54 3frf n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3frf h ILE 102 N 0.00 0.70 -0.00 2.02 2.10 -0.89 1.56 117.51 123.01 3frf h ILE 102 Ca -0.17 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.77 3frf h ILE 102 Cb 1.20 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 3frf h ILE 102 CO 0.01 0.00 -0.05 0.47 -1.08 0.00 0.00 178.15 177.50 3frf n ASP 103 N -4.33 0.12 -0.02 2.19 10.43 -1.26 -4.01 116.55 119.66 3frf n ASP 103 Ca 0.10 -0.12 0.01 0.00 2.57 0.00 0.00 54.79 57.34 3frf n ASP 103 Cb 0.62 -0.25 -0.07 0.00 1.84 0.00 0.00 41.12 43.26 3frf n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3frf n LYS 104 N -1.26 1.31 -2.50 -1.24 4.76 0.53 -5.04 118.16 114.72 3frf n LYS 104 Ca 0.13 -0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.20 3frf n LYS 104 Cb 0.27 -1.21 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 3frf n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3frf s VAL 105 N -2.43 4.57 0.09 -0.18 -7.23 -0.95 -4.98 120.40 109.30 3frf s VAL 105 Ca -0.04 1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 61.09 3frf s VAL 105 Cb 0.04 -3.72 -0.08 0.00 0.56 0.00 0.00 36.38 33.19 3frf s VAL 105 CO 0.35 -0.64 1.46 0.44 -0.31 0.00 0.00 175.10 176.40 3frf h ASP 106 N 1.03 0.61 -5.08 4.85 3.32 -0.83 -3.46 116.42 116.86 3frf h ASP 106 Ca -0.47 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.17 3frf h ASP 106 Cb 1.18 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 40.48 3frf h ASP 106 CO 0.62 0.88 0.08 1.51 -1.72 0.00 0.00 179.24 180.61 3frf s ASP 107 N -6.28 -0.27 -0.04 6.45 3.84 -1.21 -2.45 116.67 116.71 3frf s ASP 107 Ca -0.13 -0.52 0.03 0.00 -0.00 0.00 0.00 52.55 51.93 3frf s ASP 107 Cb 0.08 0.62 0.00 0.00 -1.38 0.00 0.00 42.92 42.24 3frf s ASP 107 CO 0.79 -1.13 -0.11 -0.04 -0.00 0.00 0.00 175.17 174.68 3frf s MET 108 N -3.89 1.25 -0.50 2.11 -1.94 0.01 -1.27 119.30 115.06 3frf s MET 108 Ca 0.10 -0.39 -0.14 0.00 -1.71 0.00 0.00 55.69 53.55 3frf s MET 108 Cb -0.02 -1.12 0.10 0.00 2.01 0.00 0.00 34.83 35.80 3frf s MET 108 CO -0.00 0.13 0.43 0.71 -0.01 0.00 0.00 175.02 176.27 3frf s TYR 109 N 0.24 3.28 -0.13 -0.03 1.51 0.27 -0.45 117.35 122.03 3frf s TYR 109 Ca -0.05 -1.26 -0.03 0.00 -1.01 0.00 0.00 57.07 54.72 3frf s TYR 109 Cb -0.10 -3.48 -0.03 0.00 -0.11 0.00 0.00 41.96 38.24 3frf s TYR 109 CO 0.01 -0.93 -0.03 0.42 -1.11 0.00 0.00 175.55 173.92 3frf s ILE 110 N 1.57 3.98 -0.39 2.71 1.01 0.64 -2.33 121.20 128.40 3frf s ILE 110 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3frf s ILE 110 Cb -0.27 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.49 3frf s ILE 110 CO 0.04 0.53 0.30 -0.89 0.00 0.00 0.00 174.94 174.91 3frf s THR 111 N -0.03 5.25 -0.46 2.92 2.01 -0.09 0.35 115.64 125.59 3frf s THR 111 Ca 0.02 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 3frf s THR 111 Cb -0.13 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.52 3frf s THR 111 CO 0.02 -0.24 1.18 -0.69 -0.69 0.00 0.00 174.62 174.20 3frf s VAL 112 N 1.73 4.17 -0.35 3.82 1.01 -0.48 -0.96 120.40 129.35 3frf s VAL 112 Ca 0.06 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 3frf s VAL 112 Cb -0.18 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.65 3frf s VAL 112 CO 0.10 -0.96 1.34 -0.63 0.00 0.00 0.00 175.10 174.96 3frf s ILE 113 N 4.57 4.04 -0.42 2.22 -1.09 0.43 -1.74 121.20 129.22 3frf s ILE 113 Ca 0.50 1.14 -0.07 0.00 -2.23 0.00 0.00 60.65 59.99 3frf s ILE 113 Cb -0.08 -4.18 -0.20 0.00 -1.58 0.00 0.00 42.46 36.42 3frf s ILE 113 CO 0.31 -0.59 3.25 -0.62 -1.23 0.00 0.00 174.94 176.06 3frf n GLU 114 N 7.62 2.29 -4.16 2.79 -0.58 0.04 -2.27 120.64 126.37 3frf n GLU 114 Ca 0.15 -1.24 -0.13 0.00 -0.42 0.00 0.00 57.16 55.51 3frf n GLU 114 Cb 0.47 -2.18 -0.08 0.00 -0.57 0.00 0.00 31.44 29.08 3frf n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3frf s GLY 115 N 2.16 1.47 -0.30 0.62 0.00 -1.26 -4.74 107.32 105.27 3frf s GLY 115 Ca 0.63 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 3frf s GLY 115 CO -0.02 -1.22 0.01 0.54 0.00 0.00 0.00 173.10 172.42 3frf s LYS 116 N -3.81 2.56 0.26 2.90 1.02 -1.26 -1.37 119.74 120.03 3frf s LYS 116 Ca 0.35 -1.18 0.07 0.00 0.02 0.00 0.00 55.97 55.23 3frf s LYS 116 Cb 0.04 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 3frf s LYS 116 CO 0.16 -0.58 0.18 -0.06 -0.92 0.00 0.00 175.35 174.13 3frf s PHE 117 N 1.30 3.06 -0.05 3.18 0.08 -1.26 -5.08 117.98 119.21 3frf s PHE 117 Ca -0.04 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 3frf s PHE 117 Cb -0.19 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 3frf s PHE 117 CO -0.01 0.51 1.44 0.50 -0.10 0.00 0.00 175.22 177.56 3frf s ARG 118 N -3.83 4.25 0.25 0.44 3.52 -1.26 -4.96 118.95 117.36 3frf s ARG 118 Ca 0.33 1.96 0.05 0.00 -0.13 0.00 0.00 55.73 57.94 3frf s ARG 118 Cb -0.08 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 3frf s ARG 118 CO 0.25 -0.67 -0.03 0.20 -0.81 0.00 0.00 175.30 174.23 3frf s GLY 119 N 2.27 1.69 0.00 8.12 0.00 -1.26 -4.66 107.32 113.48 3frf s GLY 119 Ca 0.64 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3frf s GLY 119 CO 0.25 -1.75 0.17 2.09 0.00 0.00 0.00 173.10 173.85 3frf n ASP 120 N -0.50 0.33 -4.27 1.64 3.85 0.06 -4.95 116.55 112.72 3frf n ASP 120 Ca -0.05 -0.69 -0.22 0.00 -0.71 0.00 0.00 54.79 53.12 3frf n ASP 120 Cb 0.64 0.26 -0.12 0.00 -1.35 0.00 0.00 41.12 40.55 3frf n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3frf s THR 121 N -0.26 1.56 0.02 2.12 -4.23 -0.98 -5.01 115.64 108.86 3frf s THR 121 Ca 0.00 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3frf s THR 121 Cb 0.00 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.31 3frf s THR 121 CO 0.00 -0.19 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.50 3frf s PHE 122 N -1.47 0.27 0.25 3.99 0.08 -1.26 -1.50 117.98 118.34 3frf s PHE 122 Ca 0.07 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 3frf s PHE 122 Cb -0.09 -0.19 -0.09 0.00 -0.57 0.00 0.00 43.02 42.09 3frf s PHE 122 CO 0.04 -0.13 1.01 0.12 -0.10 0.00 0.00 175.22 176.16 3frf s PHE 123 N -1.10 3.80 0.49 0.36 5.36 0.24 -4.74 117.98 122.38 3frf s PHE 123 Ca -0.11 1.81 -0.24 0.00 -0.96 0.00 0.00 56.93 57.43 3frf s PHE 123 Cb -0.08 -3.12 -0.07 0.00 -0.34 0.00 0.00 43.02 39.41 3frf s PHE 123 CO -0.01 -0.02 1.40 -1.25 -1.46 0.00 0.00 175.22 173.89 3frf s PRO 124 N -1.18 3.47 0.50 10.12 0.04 -1.26 -4.92 135.00 141.77 3frf s PRO 124 Ca 0.43 2.35 -0.23 0.00 0.04 0.00 0.00 61.00 63.59 3frf s PRO 124 Cb -0.28 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 3frf s PRO 124 CO 0.36 -0.97 1.32 -2.30 0.04 0.00 0.00 177.00 175.45 3frf n PRO 125 N -0.53 1.81 -4.01 0.56 -0.02 -1.26 -5.02 135.00 126.52 3frf n PRO 125 Ca 0.07 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3frf n PRO 125 Cb 0.43 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 3frf n PRO 125 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3frf s TYR 126 N -1.26 0.53 -0.01 6.00 -0.85 -1.26 -5.18 117.35 115.32 3frf s TYR 126 Ca 0.67 -0.88 0.06 0.00 -0.52 0.00 0.00 57.07 56.40 3frf s TYR 126 Cb -0.45 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 41.74 3frf s TYR 126 CO 0.53 -0.71 -0.19 0.99 -1.52 0.00 0.00 175.55 174.65 3frf s THR 127 N -4.00 1.50 -0.60 -3.49 2.01 -1.26 -5.01 115.64 104.79 3frf s THR 127 Ca 0.21 -0.81 0.24 0.00 0.31 0.00 0.00 61.69 61.63 3frf s THR 127 Cb 0.04 -1.25 0.25 0.00 0.01 0.00 0.00 72.50 71.55 3frf s THR 127 CO 0.02 0.42 1.71 0.49 -0.69 0.00 0.00 174.62 176.58 3frf n PHE 128 N 2.61 0.74 0.26 4.92 3.72 -1.26 -0.95 117.46 127.51 3frf n PHE 128 Ca -0.15 0.27 0.18 0.00 -0.05 0.00 0.00 57.45 57.70 3frf n PHE 128 Cb 0.53 -0.94 0.87 0.00 -0.94 0.00 0.00 39.48 39.01 3frf n PHE 128 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3frf h GLU 129 N 0.00 0.00 0.00 -1.08 4.39 -2.03 -2.73 114.58 113.12 3frf h GLU 129 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3frf h GLU 129 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3frf h GLU 129 CO 0.00 0.00 -0.96 -0.25 -1.16 0.00 0.00 179.01 176.64 3frf n ASP 130 N -3.29 1.07 -3.72 1.42 10.43 -0.12 -4.89 116.55 117.44 3frf n ASP 130 Ca 0.00 -0.53 -0.25 0.00 2.57 0.00 0.00 54.79 56.59 3frf n ASP 130 Cb 0.36 1.21 -0.17 0.00 1.84 0.00 0.00 41.12 44.36 3frf n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3frf s TRP 131 N -2.46 0.67 -0.02 1.24 0.52 -1.03 -0.74 118.94 117.12 3frf s TRP 131 Ca 0.02 -0.40 -0.24 0.00 0.02 0.00 0.00 56.10 55.49 3frf s TRP 131 Cb 0.09 -0.84 -0.04 0.00 -1.15 0.00 0.00 33.47 31.53 3frf s TRP 131 CO 0.54 -0.45 0.72 -2.00 0.02 0.00 0.00 176.95 175.78 3frf s GLU 132 N 1.97 4.45 -0.85 4.98 2.12 0.73 -4.70 118.70 127.40 3frf s GLU 132 Ca 0.02 0.95 -0.25 0.00 0.36 0.00 0.00 54.97 56.05 3frf s GLU 132 Cb -0.15 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.87 3frf s GLU 132 CO -0.07 0.16 1.41 0.08 -0.54 0.00 0.00 175.26 176.30 3frf s VAL 133 N 0.42 3.77 0.11 3.70 1.01 -1.26 -0.78 120.40 127.36 3frf s VAL 133 Ca 0.38 -0.09 0.16 0.00 0.00 0.00 0.00 61.98 62.43 3frf s VAL 133 Cb -0.19 -4.88 0.08 0.00 0.00 0.00 0.00 36.38 31.39 3frf s VAL 133 CO 0.20 -1.80 1.63 0.00 0.00 0.00 0.00 175.10 175.13 3frf h ALA 134 N 10.27 0.87 -1.87 5.51 0.00 -1.11 -3.46 119.26 129.47 3frf h ALA 134 Ca -0.08 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.44 3frf h ALA 134 Cb 1.04 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.55 3frf h ALA 134 CO 1.33 0.59 0.42 -1.54 0.00 0.00 0.00 179.25 180.05 3frf s SER 135 N -6.50 -0.47 -0.11 0.00 1.04 -1.12 -4.97 113.70 101.58 3frf s SER 135 Ca 0.01 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 3frf s SER 135 Cb 0.10 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.68 3frf s SER 135 CO 0.72 -0.50 0.23 -0.55 0.98 0.00 0.00 173.24 174.12 3frf s SER 136 N -1.42 0.32 -0.11 7.02 0.15 -1.25 -1.31 113.70 117.10 3frf s SER 136 Ca -0.03 0.50 -0.03 0.00 0.70 0.00 0.00 55.95 57.08 3frf s SER 136 Cb -0.00 0.52 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 3frf s SER 136 CO 0.02 -0.22 0.12 -0.69 1.20 0.00 0.00 173.24 173.66 3frf s VAL 137 N 2.12 -0.18 0.10 4.45 1.01 -0.72 -4.98 120.40 122.21 3frf s VAL 137 Ca -0.01 0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.85 3frf s VAL 137 Cb -0.12 -0.36 -0.11 0.00 0.00 0.00 0.00 36.38 35.79 3frf s VAL 137 CO -0.08 0.01 1.84 -0.62 0.00 0.00 0.00 175.10 176.25 3frf n GLU 138 N 5.31 2.71 -1.76 2.72 1.02 -1.26 -0.79 120.64 128.59 3frf n GLU 138 Ca -0.05 0.99 -0.36 0.00 -0.02 0.00 0.00 57.16 57.72 3frf n GLU 138 Cb 0.50 -2.88 0.06 0.00 -0.02 0.00 0.00 31.44 29.10 3frf n GLU 138 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3frf s GLY 139 N 2.84 2.63 0.02 0.62 0.00 0.27 -4.91 107.32 108.80 3frf s GLY 139 Ca 0.83 1.01 -0.22 0.00 0.00 0.00 0.00 44.72 46.34 3frf s GLY 139 CO 0.39 1.42 0.66 0.54 0.00 0.00 0.00 173.10 176.11 3frf s LYS 140 N -3.55 4.39 0.37 2.90 -0.14 -1.26 -4.68 119.74 117.78 3frf s LYS 140 Ca 0.78 0.87 -0.01 0.00 -1.36 0.00 0.00 55.97 56.25 3frf s LYS 140 Cb -0.32 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.45 3frf s LYS 140 CO 0.39 0.35 0.61 -0.51 -0.76 0.00 0.00 175.35 175.43 3frf s LEU 141 N -0.20 3.92 0.00 3.17 1.43 -1.26 -4.86 118.68 120.88 3frf s LEU 141 Ca 0.34 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 3frf s LEU 141 Cb -0.19 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3frf s LEU 141 CO 0.20 -0.35 0.00 -0.90 0.23 0.00 0.00 176.35 175.52 3frf n ASP 142 N -1.81 0.00 -0.34 2.29 3.85 -0.18 -4.93 116.55 115.42 3frf n ASP 142 Ca -0.03 0.00 0.21 0.00 -0.71 0.00 0.00 54.79 54.26 3frf n ASP 142 Cb 0.56 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.79 3frf n ASP 142 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3frf h GLU 143 N 0.00 0.45 0.00 0.11 4.57 -2.01 -0.39 114.58 117.30 3frf h GLU 143 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3frf h GLU 143 Cb 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3frf h GLU 143 CO 0.00 0.29 -1.39 1.63 -1.18 0.00 0.00 179.01 178.36 3frf n LYS 144 N -4.75 0.28 -3.65 1.92 5.02 -1.26 -4.72 118.16 110.99 3frf n LYS 144 Ca 0.27 -0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 3frf n LYS 144 Cb 0.85 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 3frf n LYS 144 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3frf s ASN 145 N -3.65 3.51 0.00 4.39 0.01 -0.16 -4.56 114.94 114.48 3frf s ASN 145 Ca 0.01 -2.44 0.03 0.00 -0.71 0.00 0.00 52.86 49.75 3frf s ASN 145 Cb 0.15 -0.87 0.02 0.00 0.41 0.00 0.00 41.25 40.97 3frf s ASN 145 CO 0.88 -0.29 0.58 0.35 -1.51 0.00 0.00 177.10 177.12 3frf n THR 146 N 3.76 0.00 -3.62 1.60 -2.24 -1.25 -1.01 114.28 111.52 3frf n THR 146 Ca 0.09 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 3frf n THR 146 Cb 0.36 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 3frf n THR 146 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3frf s ILE 147 N -0.32 5.35 0.38 2.28 1.01 -1.26 -4.97 121.20 123.66 3frf s ILE 147 Ca 0.04 0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.75 3frf s ILE 147 Cb 0.03 -3.55 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 3frf s ILE 147 CO 0.04 0.38 1.49 -2.84 0.00 0.00 0.00 174.94 174.02 3frf s PRO 148 N 0.68 4.11 -0.05 2.79 0.02 -1.26 -4.91 135.00 136.37 3frf s PRO 148 Ca 0.11 2.58 -0.30 0.00 0.02 0.00 0.00 61.00 63.41 3frf s PRO 148 Cb -0.13 -2.97 0.08 0.00 0.02 0.00 0.00 34.50 31.51 3frf s PRO 148 CO 0.02 -0.54 0.72 -3.38 -0.33 0.00 0.00 177.00 173.49 3frf s HIS 149 N -1.10 -0.60 -0.06 6.54 -3.43 -1.26 -0.78 115.29 114.60 3frf s HIS 149 Ca 0.53 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.77 3frf s HIS 149 Cb -0.47 0.43 0.02 0.00 -1.43 0.00 0.00 32.58 31.14 3frf s HIS 149 CO 0.63 -0.59 -0.04 0.99 -2.00 0.00 0.00 174.74 173.73 3frf s THR 150 N -1.45 0.56 -0.51 -5.38 2.01 -0.71 -0.56 115.64 109.60 3frf s THR 150 Ca -0.08 -0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 3frf s THR 150 Cb -0.00 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.93 3frf s THR 150 CO 0.06 0.25 1.04 -0.36 -0.69 0.00 0.00 174.62 174.93 3frf s PHE 151 N 1.21 2.80 -0.16 4.92 0.08 0.03 -1.38 117.98 125.48 3frf s PHE 151 Ca -0.06 0.42 -0.11 0.00 0.12 0.00 0.00 56.93 57.29 3frf s PHE 151 Cb -0.14 -4.23 -0.05 0.00 -0.57 0.00 0.00 43.02 38.03 3frf s PHE 151 CO -0.02 -1.29 0.20 -0.51 -0.10 0.00 0.00 175.22 173.50 3frf s LEU 152 N 4.23 4.28 -0.28 -0.37 1.43 0.16 -1.75 118.68 126.37 3frf s LEU 152 Ca 0.40 0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3frf s LEU 152 Cb -0.09 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3frf s LEU 152 CO 0.27 0.21 0.03 -2.28 0.23 0.00 0.00 176.35 174.81 3frf s HIS 153 N -0.00 3.12 -0.02 0.29 5.65 -0.42 -0.26 115.29 123.65 3frf s HIS 153 Ca 0.13 -1.19 0.03 0.00 0.25 0.00 0.00 55.06 54.29 3frf s HIS 153 Cb -0.12 -2.19 -0.03 0.00 -1.18 0.00 0.00 32.58 29.06 3frf s HIS 153 CO 0.02 -0.63 -0.10 -0.51 -0.65 0.00 0.00 174.74 172.87 3frf s LEU 154 N 1.44 2.98 -0.04 8.88 1.43 0.40 -0.44 118.68 133.32 3frf s LEU 154 Ca 0.02 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3frf s LEU 154 Cb -0.17 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3frf s LEU 154 CO 0.00 0.32 -0.17 -0.63 0.23 0.00 0.00 176.35 176.09 3frf s ILE 155 N -0.87 1.45 0.09 -0.59 1.01 0.04 -0.81 121.20 121.52 3frf s ILE 155 Ca 0.14 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.74 3frf s ILE 155 Cb -0.11 -1.24 -0.11 0.00 0.01 0.00 0.00 42.46 41.01 3frf s ILE 155 CO 0.04 0.42 1.81 -1.14 0.00 0.00 0.00 174.94 176.07 3frf n ARG 156 N 3.13 2.61 -2.29 2.79 0.63 -1.03 -0.19 116.66 122.31 3frf n ARG 156 Ca -0.18 0.95 -0.42 0.00 -0.92 0.00 0.00 57.85 57.28 3frf n ARG 156 Cb 0.53 -2.82 -0.03 0.00 0.45 0.00 0.00 32.46 30.59 3frf n ARG 156 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3frf s LYS 157 N 2.71 4.41 0.00 -0.14 1.02 0.08 -4.85 119.74 122.98 3frf s LYS 157 Ca 0.83 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.78 3frf s LYS 157 Cb -0.54 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 3frf s LYS 157 CO 0.40 -0.24 0.00 1.63 -0.92 0.00 0.00 175.35 176.21