#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwt s SER -2 N 0.00 5.05 0.15 1.61 0.01 -1.26 -4.07 113.70 115.19 3fwt s SER -2 Ca 0.00 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 3fwt s SER -2 Cb 0.00 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 3fwt s SER -2 CO 0.00 0.22 0.05 -1.00 0.41 0.00 0.00 173.24 172.93 3fwt s HIS -1 N 0.05 1.00 -1.32 2.43 0.09 -0.83 -4.85 115.29 111.85 3fwt s HIS -1 Ca 0.02 -1.20 -0.03 0.00 -0.00 0.00 0.00 55.06 53.84 3fwt s HIS -1 Cb -0.13 -0.56 -0.00 0.00 -0.00 0.00 0.00 32.58 31.89 3fwt s HIS -1 CO 0.02 -0.46 0.59 -1.33 -0.00 0.00 0.00 174.74 173.57 3fwt n MET 0 N -0.16 -3.60 -2.18 1.40 0.00 -1.26 -0.21 117.12 111.11 3fwt n MET 0 Ca -0.05 0.51 -0.41 0.00 0.00 0.00 0.00 57.70 57.75 3fwt n MET 0 Cb 0.64 -4.75 -0.03 0.00 0.00 0.00 0.00 33.22 29.09 3fwt n MET 0 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3fwt s PRO 1 N -6.20 4.39 -0.06 0.03 0.04 -1.26 -4.45 135.00 127.50 3fwt s PRO 1 Ca 0.08 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.28 3fwt s PRO 1 Cb -0.03 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 3fwt s PRO 1 CO 0.85 -0.20 -0.19 0.12 0.04 0.00 0.00 177.00 177.63 3fwt s PHE 2 N -0.50 1.93 -0.11 0.56 5.36 -0.01 -1.69 117.98 123.52 3fwt s PHE 2 Ca 0.53 -0.65 0.03 0.00 -0.96 0.00 0.00 56.93 55.88 3fwt s PHE 2 Cb -0.38 -1.31 0.01 0.00 -0.34 0.00 0.00 43.02 41.00 3fwt s PHE 2 CO 0.45 -0.25 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.26 3fwt s LEU 3 N 0.21 1.90 -0.24 6.12 1.02 -0.21 -0.75 118.68 126.74 3fwt s LEU 3 Ca -0.09 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.49 3fwt s LEU 3 Cb -0.14 -1.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.81 3fwt s LEU 3 CO 0.04 0.07 0.09 -1.58 0.02 0.00 0.00 176.35 174.99 3fwt s GLN 4 N 0.72 3.79 -0.22 1.70 0.74 -0.39 -0.66 119.66 125.34 3fwt s GLN 4 Ca -0.11 -0.42 -0.05 0.00 0.05 0.00 0.00 55.36 54.83 3fwt s GLN 4 Cb -0.16 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 3fwt s GLN 4 CO 0.02 -0.06 0.01 0.99 -0.55 0.00 0.00 175.29 175.70 3fwt s THR 5 N 1.30 3.90 -0.23 -0.34 2.01 -0.66 -0.90 115.64 120.71 3fwt s THR 5 Ca 0.05 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 3fwt s THR 5 Cb -0.15 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3fwt s THR 5 CO 0.04 0.40 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.69 3fwt s ILE 6 N 1.35 3.13 0.02 1.82 1.01 0.15 -0.59 121.20 128.09 3fwt s ILE 6 Ca 0.04 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3fwt s ILE 6 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3fwt s ILE 6 CO 0.01 0.33 -0.11 0.68 0.00 0.00 0.00 174.94 175.84 3fwt s VAL 7 N 1.41 0.89 -0.69 2.92 -7.23 -0.82 -0.37 120.40 116.51 3fwt s VAL 7 Ca 0.04 -0.77 0.25 0.00 -1.81 0.00 0.00 61.98 59.69 3fwt s VAL 7 Cb -0.15 -0.80 0.23 0.00 0.56 0.00 0.00 36.38 36.21 3fwt s VAL 7 CO -0.04 0.03 1.65 0.77 -0.31 0.00 0.00 175.10 177.20 3fwt h SER 8 N 5.26 0.00 -4.27 4.85 4.64 -1.43 0.72 113.55 123.33 3fwt h SER 8 Ca -0.35 -0.05 -0.47 0.00 -0.47 0.00 0.00 61.79 60.45 3fwt h SER 8 Cb 1.18 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.36 3fwt h SER 8 CO 0.46 0.03 0.34 0.68 -0.87 0.00 0.00 176.83 177.46 3fwt s VAL 9 N -3.13 2.62 0.08 0.95 -7.23 -1.26 -4.03 120.40 108.40 3fwt s VAL 9 Ca 0.09 0.06 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 3fwt s VAL 9 Cb 0.12 -3.17 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 3fwt s VAL 9 CO 0.63 -0.21 0.53 -0.55 -0.31 0.00 0.00 175.10 175.20 3fwt s SER 10 N -4.48 6.96 0.16 4.85 0.15 -1.26 -0.74 113.70 119.34 3fwt s SER 10 Ca 0.60 1.16 0.09 0.00 0.70 0.00 0.00 55.95 58.50 3fwt s SER 10 Cb -0.11 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3fwt s SER 10 CO 0.48 0.25 -0.16 -0.76 1.20 0.00 0.00 173.24 174.25 3fwt s LEU 11 N -1.30 2.75 0.00 3.45 1.43 -1.26 -4.96 118.68 118.79 3fwt s LEU 11 Ca 0.30 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3fwt s LEU 11 Cb -0.18 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3fwt s LEU 11 CO 0.18 0.14 0.25 -0.90 0.23 0.00 0.00 176.35 176.25 3fwt n ASP 12 N 0.39 2.74 -0.27 2.29 5.68 -1.26 -4.97 116.55 121.15 3fwt n ASP 12 Ca -0.13 -2.73 0.03 0.00 -0.50 0.00 0.00 54.79 51.46 3fwt n ASP 12 Cb 0.54 0.07 0.25 0.00 -1.14 0.00 0.00 41.12 40.85 3fwt n ASP 12 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3fwt h ASP 13 N 0.72 0.87 -0.35 -1.12 3.45 -2.00 -1.27 116.42 116.71 3fwt h ASP 13 Ca -0.32 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 3fwt h ASP 13 Cb 1.11 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.67 3fwt h ASP 13 CO 0.52 0.58 0.15 1.56 -1.57 0.00 0.00 179.24 180.47 3fwt h GLN 14 N 1.00 0.52 -0.44 3.56 4.20 -1.99 -0.16 115.11 121.80 3fwt h GLN 14 Ca 0.36 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.83 3fwt h GLN 14 Cb 0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3fwt h GLN 14 CO -0.12 0.50 -0.29 0.87 -0.67 0.00 0.00 178.83 179.12 3fwt h LYS 15 N 0.42 0.96 -0.53 1.46 1.57 -1.92 0.32 116.57 118.85 3fwt h LYS 15 Ca 0.12 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 3fwt h LYS 15 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3fwt h LYS 15 CO -0.01 1.12 0.03 0.00 -0.57 0.00 0.00 179.45 180.01 3fwt h ARG 16 N 0.81 0.92 -0.87 3.15 3.08 -1.18 -0.40 114.38 119.89 3fwt h ARG 16 Ca 0.09 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.87 3fwt h ARG 16 Cb 0.87 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 3fwt h ARG 16 CO 0.08 0.93 0.58 0.00 -1.07 0.00 0.00 179.97 180.48 3fwt h ALA 17 N 0.96 1.38 -0.37 0.04 0.00 -0.57 0.23 119.26 120.95 3fwt h ALA 17 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3fwt h ALA 17 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fwt h ALA 17 CO 0.02 0.57 -0.12 -0.91 0.00 0.00 0.00 179.25 178.81 3fwt h ASN 18 N 1.18 0.74 -0.03 0.00 2.35 -0.19 -0.93 115.58 118.70 3fwt h ASN 18 Ca 0.32 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3fwt h ASN 18 Cb -0.12 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.04 3fwt h ASN 18 CO -0.07 0.95 0.00 -0.07 -1.65 0.00 0.00 177.43 176.59 3fwt h LEU 19 N 0.52 -0.01 -0.68 1.61 3.38 -0.77 -0.88 115.31 118.48 3fwt h LEU 19 Ca 0.09 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3fwt h LEU 19 Cb 0.64 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3fwt h LEU 19 CO 0.04 0.00 0.30 0.28 0.09 0.00 0.00 178.44 179.16 3fwt h SER 20 N 0.01 0.35 -0.25 -0.43 0.02 -0.81 -0.08 113.55 112.38 3fwt h SER 20 Ca 0.01 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3fwt h SER 20 Cb 0.01 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3fwt h SER 20 CO -0.02 0.20 0.02 0.00 -1.14 0.00 0.00 176.83 175.88 3fwt h ALA 21 N 1.44 0.23 0.05 3.77 0.00 -1.00 -0.97 119.26 122.79 3fwt h ALA 21 Ca 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3fwt h ALA 21 Cb 0.41 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fwt h ALA 21 CO -0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 179.25 178.52 3fwt h ALA 22 N 1.20 -0.07 -1.00 0.00 0.00 -0.66 -2.64 119.26 116.08 3fwt h ALA 22 Ca 0.12 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.13 3fwt h ALA 22 Cb 0.14 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 3fwt h ALA 22 CO -0.18 -0.44 0.61 1.88 0.00 0.00 0.00 179.25 181.12 3fwt h TYR 23 N -0.27 1.02 -0.28 0.00 0.05 -0.98 -1.18 116.97 115.32 3fwt h TYR 23 Ca -0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3fwt h TYR 23 Cb 0.24 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3fwt h TYR 23 CO -0.01 0.17 0.05 0.78 -1.05 0.00 0.00 178.16 178.10 3fwt h GLY 24 N 0.68 0.50 0.97 3.88 0.00 -0.89 -0.33 103.07 107.87 3fwt h GLY 24 Ca 0.60 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3fwt h GLY 24 CO -0.40 0.31 -0.12 -0.33 0.00 0.00 0.00 176.54 175.99 3fwt h MET 25 N 0.28 -0.33 -0.71 4.80 2.86 -1.09 -0.18 114.93 120.56 3fwt h MET 25 Ca 0.09 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3fwt h MET 25 Cb 0.33 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.98 3fwt h MET 25 CO 0.00 -0.19 0.32 0.82 1.06 0.00 0.00 176.91 178.92 3fwt h ILE 26 N -0.38 0.78 -0.17 -1.22 2.04 -1.14 0.90 117.51 118.32 3fwt h ILE 26 Ca -0.03 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3fwt h ILE 26 Cb 0.29 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3fwt h ILE 26 CO 0.06 0.10 0.02 0.00 0.00 0.00 0.00 178.15 178.33 3fwt h ARG 28 N 0.07 0.18 -0.21 0.00 3.08 -0.58 0.14 114.38 117.06 3fwt h ARG 28 Ca 0.05 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 3fwt h ARG 28 Cb 0.32 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.33 3fwt h ARG 28 CO 0.00 0.12 -0.68 0.93 -1.07 0.00 0.00 179.97 179.28 3fwt h GLU 29 N 0.19 0.81 0.00 0.04 5.08 -0.87 -3.31 114.58 116.52 3fwt h GLU 29 Ca 0.05 -0.60 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 3fwt h GLU 29 Cb -0.02 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3fwt h GLU 29 CO -0.02 1.21 -1.96 0.39 -1.00 0.00 0.00 179.01 177.63 3fwt n GLU 30 N -3.96 0.66 -0.07 2.33 -0.58 -0.05 -4.56 120.64 114.40 3fwt n GLU 30 Ca -0.06 -0.10 -0.03 0.00 -0.42 0.00 0.00 57.16 56.55 3fwt n GLU 30 Cb 0.70 -1.57 -0.16 0.00 -0.57 0.00 0.00 31.44 29.84 3fwt n GLU 30 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3fwt n LEU 31 N -2.45 0.00 0.00 -4.62 7.94 0.03 -4.81 117.00 113.10 3fwt n LEU 31 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 3fwt n LEU 31 Cb 0.72 0.33 0.00 0.00 0.53 0.00 0.00 43.42 45.00 3fwt n LEU 31 CO 0.45 0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.67 3fwt n GLY 32 N 1.63 -1.16 3.74 -3.96 0.00 -1.19 -4.64 105.19 99.61 3fwt n GLY 32 Ca -0.23 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3fwt n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwt s LYS 33 N 0.00 4.23 0.06 1.61 1.02 -1.26 -4.75 119.74 120.65 3fwt s LYS 33 Ca 0.00 0.28 -0.22 0.00 0.02 0.00 0.00 55.97 56.05 3fwt s LYS 33 Cb 0.00 -3.40 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 3fwt s LYS 33 CO 0.00 0.28 1.35 -1.35 -0.92 0.00 0.00 175.35 174.70 3fwt h PRO 34 N 6.39 -0.53 0.00 -1.68 0.11 -1.95 -1.30 132.00 133.04 3fwt h PRO 34 Ca -0.43 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3fwt h PRO 34 Cb 1.18 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3fwt h PRO 34 CO 0.73 -0.35 0.00 -1.91 -0.21 0.00 0.00 178.00 176.26 3fwt n GLU 35 N -4.33 0.21 -1.35 1.05 4.07 -1.26 -4.83 120.64 114.20 3fwt n GLU 35 Ca -0.06 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.67 3fwt n GLU 35 Cb 0.27 -1.29 0.06 0.00 -0.06 0.00 0.00 31.44 30.43 3fwt n GLU 35 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3fwt n ASP 36 N -0.79 -0.74 -4.48 4.31 8.00 -0.49 -5.02 116.55 117.35 3fwt n ASP 36 Ca 0.03 0.65 -0.30 0.00 0.71 0.00 0.00 54.79 55.88 3fwt n ASP 36 Cb 0.01 -1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 39.74 3fwt n ASP 36 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fwt s PHE 37 N -1.82 2.53 -0.04 1.24 0.08 -1.26 -5.01 117.98 113.70 3fwt s PHE 37 Ca 0.68 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.48 3fwt s PHE 37 Cb -0.37 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 3fwt s PHE 37 CO 0.55 0.35 -0.04 0.08 -0.10 0.00 0.00 175.22 176.06 3fwt s VAL 38 N -1.08 0.46 -0.13 -0.44 1.01 -1.26 -4.18 120.40 114.78 3fwt s VAL 38 Ca 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3fwt s VAL 38 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3fwt s VAL 38 CO 0.09 0.20 0.08 -0.32 0.00 0.00 0.00 175.10 175.15 3fwt s MET 39 N 0.88 3.49 -0.15 2.72 1.75 -0.68 -5.02 119.30 122.28 3fwt s MET 39 Ca -0.11 -0.28 -0.03 0.00 -1.25 0.00 0.00 55.69 54.02 3fwt s MET 39 Cb -0.14 -3.09 0.05 0.00 2.84 0.00 0.00 34.83 34.49 3fwt s MET 39 CO -0.00 0.60 0.05 0.99 -0.65 0.00 0.00 175.02 176.00 3fwt s THR 40 N -0.54 0.27 -0.07 10.11 2.01 -1.26 -1.04 115.64 125.12 3fwt s THR 40 Ca 0.11 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3fwt s THR 40 Cb -0.12 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 3fwt s THR 40 CO 0.02 -0.11 -0.01 0.00 -0.69 0.00 0.00 174.62 173.83 3fwt s ALA 41 N 1.98 3.22 -0.25 7.40 0.00 0.16 -4.99 121.76 129.29 3fwt s ALA 41 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3fwt s ALA 41 Cb -0.15 -1.41 0.06 0.00 0.00 0.00 0.00 23.12 21.62 3fwt s ALA 41 CO -0.07 0.59 -0.07 -0.06 0.00 0.00 0.00 175.76 176.15 3fwt s PHE 42 N -0.89 2.71 -0.60 0.00 0.40 -1.26 -1.66 117.98 116.68 3fwt s PHE 42 Ca 0.14 -1.98 -0.14 0.00 -0.60 0.00 0.00 56.93 54.35 3fwt s PHE 42 Cb -0.11 -1.73 0.15 0.00 0.51 0.00 0.00 43.02 41.84 3fwt s PHE 42 CO 0.03 -0.82 0.53 -1.12 0.70 0.00 0.00 175.22 174.55 3fwt s SER 43 N 1.29 6.20 0.68 1.36 0.01 0.24 -5.00 113.70 118.48 3fwt s SER 43 Ca -0.06 -2.09 0.01 0.00 1.31 0.00 0.00 55.95 55.13 3fwt s SER 43 Cb -0.19 -2.16 0.11 0.00 0.21 0.00 0.00 66.02 63.99 3fwt s SER 43 CO -0.06 -0.74 0.94 1.51 0.41 0.00 0.00 173.24 175.30 3fwt s ASP 44 N 2.94 4.54 -1.27 2.44 -4.77 -1.26 -1.95 116.67 117.34 3fwt s ASP 44 Ca 0.08 -0.44 -0.01 0.00 -3.30 0.00 0.00 52.55 48.87 3fwt s ASP 44 Cb -0.24 -0.00 0.01 0.00 -1.09 0.00 0.00 42.92 41.60 3fwt s ASP 44 CO -0.01 -1.72 0.10 0.29 0.70 0.00 0.00 175.17 174.53 3fwt n LYS 45 N -2.69 -2.44 -3.63 2.11 5.02 0.08 -4.84 118.16 111.78 3fwt n LYS 45 Ca 0.15 0.70 -0.39 0.00 -2.02 0.00 0.00 58.31 56.74 3fwt n LYS 45 Cb 0.61 -5.34 -0.11 0.00 -0.02 0.00 0.00 35.03 30.16 3fwt n LYS 45 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3fwt s THR 46 N -2.78 4.64 0.37 -0.18 2.01 0.18 -4.94 115.64 114.95 3fwt s THR 46 Ca 0.06 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 3fwt s THR 46 Cb -0.03 -3.44 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 3fwt s THR 46 CO 0.08 -0.03 1.47 -2.65 -0.69 0.00 0.00 174.62 172.80 3fwt n PRO 47 N 5.00 2.61 -4.29 4.92 -0.02 -1.26 -3.02 135.00 138.94 3fwt n PRO 47 Ca -0.13 0.92 -0.20 0.00 -2.02 0.00 0.00 63.50 62.07 3fwt n PRO 47 Cb 0.48 -2.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 3fwt n PRO 47 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3fwt s ILE 48 N -1.06 0.66 -0.02 4.25 1.01 -1.26 -4.95 121.20 119.83 3fwt s ILE 48 Ca 0.54 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3fwt s ILE 48 Cb -0.49 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3fwt s ILE 48 CO 0.63 0.23 0.01 -0.55 0.00 0.00 0.00 174.94 175.26 3fwt s SER 49 N 0.51 5.19 -0.28 3.58 0.15 -1.26 -4.45 113.70 117.14 3fwt s SER 49 Ca -0.07 0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.42 3fwt s SER 49 Cb -0.11 -1.39 0.10 0.00 -1.71 0.00 0.00 66.02 62.91 3fwt s SER 49 CO 0.01 0.30 0.81 0.12 1.20 0.00 0.00 173.24 175.67 3fwt s PHE 50 N -1.05 -0.81 -1.63 3.44 5.36 -0.20 -4.91 117.98 118.18 3fwt s PHE 50 Ca 0.18 1.74 -0.17 0.00 -0.96 0.00 0.00 56.93 57.73 3fwt s PHE 50 Cb -0.11 0.45 0.13 0.00 -0.34 0.00 0.00 43.02 43.14 3fwt s PHE 50 CO 0.09 -0.40 0.89 1.04 -1.46 0.00 0.00 175.22 175.38 3fwt n GLN 51 N 3.47 -4.31 -1.12 10.12 6.02 -1.26 -1.65 117.38 128.65 3fwt n GLN 51 Ca -0.17 0.48 -0.04 0.00 -0.01 0.00 0.00 57.00 57.26 3fwt n GLN 51 Cb 0.57 -5.30 -0.02 0.00 1.02 0.00 0.00 30.24 26.52 3fwt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwt n GLY 52 N -1.53 0.64 3.11 1.08 0.00 -1.26 -4.99 105.19 102.24 3fwt n GLY 52 Ca 0.07 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3fwt n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fwt s SER 53 N -2.39 1.60 -0.28 1.61 0.15 -0.66 -5.01 113.70 108.71 3fwt s SER 53 Ca 0.00 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.43 3fwt s SER 53 Cb 0.00 -0.14 0.77 0.00 -1.71 0.00 0.00 66.02 64.94 3fwt s SER 53 CO 0.00 0.11 1.77 0.35 1.20 0.00 0.00 173.24 176.67 3fwt n THR 54 N 2.39 2.83 -0.70 6.45 -2.24 -1.26 -1.03 114.28 120.72 3fwt n THR 54 Ca -0.16 -1.50 -0.31 0.00 -2.27 0.00 0.00 64.05 59.82 3fwt n THR 54 Cb 0.55 -0.33 0.18 0.00 -2.10 0.00 0.00 70.33 68.63 3fwt n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fwt s ALA 55 N -2.86 1.18 0.05 6.98 0.00 -1.26 -4.82 121.76 121.04 3fwt s ALA 55 Ca 0.54 0.46 -0.37 0.00 0.00 0.00 0.00 51.96 52.60 3fwt s ALA 55 Cb 0.42 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.97 3fwt s ALA 55 CO 0.14 -2.90 1.42 -2.30 0.00 0.00 0.00 175.76 172.12 3fwt n PRO 56 N -4.32 1.28 -4.11 0.00 -0.02 -1.26 -4.92 135.00 121.64 3fwt n PRO 56 Ca 0.10 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 3fwt n PRO 56 Cb 0.52 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 3fwt n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fwt s ALA 57 N 0.90 0.65 0.04 3.55 0.00 -1.26 -4.75 121.76 120.88 3fwt s ALA 57 Ca 0.85 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3fwt s ALA 57 Cb -0.93 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3fwt s ALA 57 CO 0.48 -0.61 -0.05 0.00 0.00 0.00 0.00 175.76 175.58 3fwt s ALA 58 N -4.07 0.42 -0.03 0.00 0.00 -0.25 -2.78 121.76 115.04 3fwt s ALA 58 Ca 0.28 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3fwt s ALA 58 Cb 0.05 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3fwt s ALA 58 CO 0.06 -0.18 -0.03 -0.47 0.00 0.00 0.00 175.76 175.15 3fwt s TYR 59 N -2.20 0.55 -0.09 0.00 5.04 0.50 -1.34 117.35 119.79 3fwt s TYR 59 Ca -0.06 -0.11 0.04 0.00 -2.44 0.00 0.00 57.07 54.49 3fwt s TYR 59 Cb -0.04 -0.51 0.00 0.00 0.35 0.00 0.00 41.96 41.76 3fwt s TYR 59 CO -0.03 -0.13 -0.21 0.08 -1.34 0.00 0.00 175.55 173.91 3fwt s VAL 60 N 0.74 1.87 -0.22 3.14 1.01 0.49 -0.68 120.40 126.75 3fwt s VAL 60 Ca -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 3fwt s VAL 60 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3fwt s VAL 60 CO -0.00 0.52 0.01 -0.60 0.00 0.00 0.00 175.10 175.03 3fwt s ARG 61 N 0.43 3.56 -0.15 2.72 3.52 -0.08 -1.09 118.95 127.85 3fwt s ARG 61 Ca -0.18 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 54.85 3fwt s ARG 61 Cb -0.17 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3fwt s ARG 61 CO 0.07 -0.12 -0.03 0.08 -0.81 0.00 0.00 175.30 174.49 3fwt s VAL 62 N 1.37 3.95 0.09 7.11 1.01 0.20 -1.26 120.40 132.87 3fwt s VAL 62 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3fwt s VAL 62 Cb -0.15 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3fwt s VAL 62 CO 0.01 0.50 -0.14 -1.61 0.00 0.00 0.00 175.10 173.85 3fwt s GLU 63 N 0.32 0.91 -0.02 2.72 2.02 0.07 -0.05 118.70 124.69 3fwt s GLU 63 Ca -0.03 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.58 3fwt s GLU 63 Cb -0.14 -0.87 0.10 0.00 0.10 0.00 0.00 34.13 33.32 3fwt s GLU 63 CO 0.03 0.18 0.91 -1.54 0.02 0.00 0.00 175.26 174.86 3fwt s SER 64 N -2.05 -0.34 0.28 -0.19 1.04 -1.07 -0.83 113.70 110.54 3fwt s SER 64 Ca 0.03 -0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 3fwt s SER 64 Cb -0.08 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.31 3fwt s SER 64 CO 0.03 -0.60 1.21 0.86 0.98 0.00 0.00 173.24 175.72 3fwt s TRP 65 N -3.07 3.33 0.00 5.02 -0.00 0.71 -2.34 118.94 122.59 3fwt s TRP 65 Ca 0.05 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.68 3fwt s TRP 65 Cb -0.01 -3.48 0.00 0.00 -0.00 0.00 0.00 33.47 29.98 3fwt s TRP 65 CO -0.09 -1.23 0.00 0.41 -0.00 0.00 0.00 176.95 176.04 3fwt n GLY 66 N 1.22 1.01 3.26 5.86 0.00 0.65 -1.97 105.19 115.22 3fwt n GLY 66 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3fwt n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fwt s GLU 67 N 0.00 0.81 0.14 1.61 -1.05 -1.26 -3.78 118.70 115.18 3fwt s GLU 67 Ca 0.00 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 54.08 3fwt s GLU 67 Cb 0.00 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 3fwt s GLU 67 CO 0.00 -0.26 1.07 0.71 0.95 0.00 0.00 175.26 177.73 3fwt s TYR 68 N -2.37 3.63 0.27 4.83 1.51 -1.26 -4.32 117.35 119.63 3fwt s TYR 68 Ca -0.06 1.61 -0.30 0.00 -1.01 0.00 0.00 57.07 57.31 3fwt s TYR 68 Cb -0.01 -3.23 -0.11 0.00 -0.11 0.00 0.00 41.96 38.50 3fwt s TYR 68 CO -0.02 -0.47 1.52 0.00 -1.11 0.00 0.00 175.55 175.47 3fwt s ALA 69 N 0.04 3.69 -0.40 3.71 0.00 -1.26 -4.88 121.76 122.66 3fwt s ALA 69 Ca 0.50 1.46 0.25 0.00 0.00 0.00 0.00 51.96 54.17 3fwt s ALA 69 Cb -0.28 -3.60 1.04 0.00 0.00 0.00 0.00 23.12 20.28 3fwt s ALA 69 CO 0.33 -0.87 1.75 -1.00 0.00 0.00 0.00 175.76 175.97 3fwt h PRO 70 N 4.92 0.00 0.00 0.00 0.14 -2.04 -1.11 132.00 133.91 3fwt h PRO 70 Ca -0.47 0.00 -0.12 0.00 0.14 0.00 0.00 66.00 65.56 3fwt h PRO 70 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.34 3fwt h PRO 70 CO 0.78 0.00 -0.55 0.66 0.14 0.00 0.00 178.00 179.03 3fwt h SER 71 N 0.00 0.00 -0.12 1.44 4.64 -2.01 -3.40 113.55 114.10 3fwt h SER 71 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3fwt h SER 71 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3fwt h SER 71 CO 0.00 0.55 -0.22 0.11 -0.87 0.00 0.00 176.83 176.41 3fwt h LYS 72 N 0.00 0.36 -0.93 4.77 1.57 -1.51 -2.73 116.57 118.10 3fwt h LYS 72 Ca -0.01 -0.23 0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3fwt h LYS 72 Cb 1.28 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.55 3fwt h LYS 72 CO 0.07 0.82 0.60 -1.35 -0.57 0.00 0.00 179.45 179.02 3fwt h PRO 73 N -0.05 0.98 -0.74 3.15 0.11 -1.78 -0.88 132.00 132.79 3fwt h PRO 73 Ca 0.01 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.11 3fwt h PRO 73 Cb 0.80 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 3fwt h PRO 73 CO 0.05 0.65 0.49 0.87 -0.21 0.00 0.00 178.00 179.84 3fwt h LYS 74 N 1.01 0.81 0.00 1.05 1.79 -1.72 -1.15 116.57 118.35 3fwt h LYS 74 Ca 0.42 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 58.68 3fwt h LYS 74 Cb 0.29 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3fwt h LYS 74 CO -0.17 0.54 -0.73 0.52 -1.08 0.00 0.00 179.45 178.52 3fwt h MET 75 N 0.84 0.00 0.19 3.15 2.86 -0.94 -3.37 114.93 117.66 3fwt h MET 75 Ca 0.31 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.69 3fwt h MET 75 Cb 0.16 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.85 3fwt h MET 75 CO -0.10 0.73 -1.17 0.52 1.06 0.00 0.00 176.91 177.96 3fwt h MET 76 N 0.00 0.41 -0.39 1.72 2.86 -0.01 -3.36 114.93 116.16 3fwt h MET 76 Ca -0.01 -0.70 0.08 0.00 -2.06 0.00 0.00 59.70 57.01 3fwt h MET 76 Cb 1.52 0.26 -0.07 0.00 0.06 0.00 0.00 31.60 33.37 3fwt h MET 76 CO 0.10 1.34 -0.07 1.15 1.06 0.00 0.00 176.91 180.48 3fwt h THR 77 N -0.12 0.63 -0.03 2.22 2.02 -1.53 -0.33 112.91 115.76 3fwt h THR 77 Ca -0.21 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 3fwt h THR 77 Cb 1.90 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3fwt h THR 77 CO 0.21 0.00 -0.21 1.55 0.37 0.00 0.00 175.52 177.44 3fwt h PRO 78 N 0.02 0.05 -0.22 6.66 0.13 -1.78 0.47 132.00 137.33 3fwt h PRO 78 Ca 0.19 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 3fwt h PRO 78 Cb 0.29 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.41 3fwt h PRO 78 CO -0.38 0.26 -0.40 0.00 -0.23 0.00 0.00 178.00 177.24 3fwt h ARG 79 N 0.05 0.65 -0.06 0.86 3.08 -1.42 -0.74 114.38 116.79 3fwt h ARG 79 Ca 0.01 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 3fwt h ARG 79 Cb 0.40 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3fwt h ARG 79 CO 0.03 1.03 0.03 0.82 -1.07 0.00 0.00 179.97 180.82 3fwt h ILE 80 N 0.35 1.08 -0.51 2.04 2.04 -0.58 -0.45 117.51 121.48 3fwt h ILE 80 Ca 0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3fwt h ILE 80 Cb 1.00 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3fwt h ILE 80 CO 0.09 0.07 0.29 0.00 0.00 0.00 0.00 178.15 178.60 3fwt h ALA 81 N 0.94 0.66 -0.56 1.87 0.00 -0.97 -0.87 119.26 120.33 3fwt h ALA 81 Ca 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fwt h ALA 81 Cb 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3fwt h ALA 81 CO -0.00 0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.75 3fwt h ALA 82 N 1.13 0.72 -0.92 0.00 0.00 -0.80 0.36 119.26 119.75 3fwt h ALA 82 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fwt h ALA 82 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3fwt h ALA 82 CO -0.03 0.06 0.57 0.00 0.00 0.00 0.00 179.25 179.84 3fwt h ALA 83 N 1.25 1.17 -0.46 0.00 0.00 -0.70 -0.99 119.26 119.54 3fwt h ALA 83 Ca 0.23 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3fwt h ALA 83 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3fwt h ALA 83 CO -0.10 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.59 3fwt h ILE 84 N 1.26 1.26 -0.47 0.00 1.08 -0.63 -1.59 117.51 118.43 3fwt h ILE 84 Ca 0.33 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 3fwt h ILE 84 Cb -0.07 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 3fwt h ILE 84 CO -0.06 0.36 0.30 0.74 -0.69 0.00 0.00 178.15 178.80 3fwt h THR 85 N 0.66 1.13 -0.41 -0.27 2.02 -0.65 0.32 112.91 115.71 3fwt h THR 85 Ca 0.13 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3fwt h THR 85 Cb 0.50 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3fwt h THR 85 CO 0.02 0.13 0.21 0.50 0.37 0.00 0.00 175.52 176.75 3fwt h LYS 86 N 0.64 0.59 0.00 6.66 3.64 -1.12 0.71 116.57 127.68 3fwt h LYS 86 Ca 0.17 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 3fwt h LYS 86 Cb -0.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3fwt h LYS 86 CO -0.03 0.51 -1.05 0.93 -2.27 0.00 0.00 179.45 177.53 3fwt h GLU 87 N 0.53 0.00 -0.00 1.90 4.39 -1.08 -3.39 114.58 116.93 3fwt h GLU 87 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3fwt h GLU 87 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3fwt h GLU 87 CO -0.02 0.60 -0.05 0.00 -1.16 0.00 0.00 179.01 178.37 3fwt n GLY 89 N 0.77 0.40 3.68 0.00 0.00 0.24 -4.99 105.19 105.30 3fwt n GLY 89 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fwt n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwt s ILE 90 N -1.89 4.85 0.52 -0.61 1.01 -1.26 -5.01 121.20 118.82 3fwt s ILE 90 Ca 0.00 1.80 -0.20 0.00 0.00 0.00 0.00 60.65 62.26 3fwt s ILE 90 Cb 0.00 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 3fwt s ILE 90 CO 0.00 0.03 1.09 -2.16 0.00 0.00 0.00 174.94 173.90 3fwt s PRO 91 N 2.02 3.54 0.52 2.79 0.05 -1.26 -3.90 135.00 138.77 3fwt s PRO 91 Ca 0.43 1.50 0.21 0.00 0.05 0.00 0.00 61.00 63.19 3fwt s PRO 91 Cb -0.17 -2.04 1.34 0.00 0.05 0.00 0.00 34.50 33.67 3fwt s PRO 91 CO 0.15 -0.67 2.05 0.00 0.05 0.00 0.00 177.00 178.58 3fwt h ALA 92 N 1.34 2.30 0.00 8.56 0.00 -1.96 -1.20 119.26 128.30 3fwt h ALA 92 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fwt h ALA 92 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fwt h ALA 92 CO 0.58 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.59 3fwt n GLU 93 N -4.44 0.15 -1.02 0.00 0.00 -1.26 -1.87 120.64 112.20 3fwt n GLU 93 Ca 0.05 0.18 -0.03 0.00 0.00 0.00 0.00 57.16 57.36 3fwt n GLU 93 Cb 0.40 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.50 3fwt n GLU 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3fwt n ARG 94 N -1.30 2.19 -4.33 3.44 1.74 -0.45 -4.99 116.66 112.95 3fwt n ARG 94 Ca 0.05 -3.55 -0.32 0.00 -0.77 0.00 0.00 57.85 53.27 3fwt n ARG 94 Cb 0.10 -1.82 -0.16 0.00 -1.02 0.00 0.00 32.46 29.55 3fwt n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fwt s ILE 95 N -3.64 1.87 -0.13 0.55 1.01 -0.78 -1.09 121.20 118.99 3fwt s ILE 95 Ca 0.42 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3fwt s ILE 95 Cb 0.38 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3fwt s ILE 95 CO -0.03 0.51 -0.00 -0.31 0.00 0.00 0.00 174.94 175.10 3fwt s TYR 96 N 1.13 3.12 -0.12 3.97 1.51 -0.45 -4.99 117.35 121.52 3fwt s TYR 96 Ca -0.01 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.05 3fwt s TYR 96 Cb -0.14 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3fwt s TYR 96 CO -0.07 0.22 -0.15 0.08 -1.11 0.00 0.00 175.55 174.51 3fwt s VAL 97 N -0.18 1.54 -0.01 0.71 1.01 -1.26 -0.38 120.40 121.83 3fwt s VAL 97 Ca 0.05 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3fwt s VAL 97 Cb -0.13 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3fwt s VAL 97 CO 0.02 0.45 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 3fwt s PHE 98 N 1.06 2.36 -0.12 5.22 0.40 -0.25 -4.97 117.98 121.68 3fwt s PHE 98 Ca -0.05 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3fwt s PHE 98 Cb -0.15 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 3fwt s PHE 98 CO -0.03 0.01 -0.18 0.71 0.70 0.00 0.00 175.22 176.43 3fwt s TYR 99 N -0.66 2.70 0.22 0.36 1.51 -1.26 -0.63 117.35 119.59 3fwt s TYR 99 Ca 0.10 -0.80 0.07 0.00 -1.01 0.00 0.00 57.07 55.44 3fwt s TYR 99 Cb -0.10 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.92 3fwt s TYR 99 CO -0.00 -0.29 -0.11 0.71 -1.11 0.00 0.00 175.55 174.75 3fwt s TYR 100 N 0.32 1.71 0.18 2.71 1.51 0.93 -4.97 117.35 119.75 3fwt s TYR 100 Ca -0.14 -0.64 -0.10 0.00 -1.01 0.00 0.00 57.07 55.18 3fwt s TYR 100 Cb -0.17 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 40.82 3fwt s TYR 100 CO 0.07 0.29 0.34 -1.54 -1.11 0.00 0.00 175.55 173.60 3fwt s SER 101 N -3.33 -0.02 0.10 2.29 1.04 -1.26 -2.59 113.70 109.94 3fwt s SER 101 Ca 0.24 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 3fwt s SER 101 Cb 0.01 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3fwt s SER 101 CO 0.07 -0.95 0.20 0.28 0.98 0.00 0.00 173.24 173.82 3fwt s THR 102 N -3.97 0.13 -0.90 2.02 -1.32 -0.99 -4.93 115.64 105.68 3fwt s THR 102 Ca 0.18 -1.26 0.24 0.00 -1.21 0.00 0.00 61.69 59.64 3fwt s THR 102 Cb 0.02 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 69.48 3fwt s THR 102 CO 0.02 -0.58 1.23 0.29 -2.21 0.00 0.00 174.62 173.36 3fwt n LYS 103 N -0.09 0.08 -3.98 7.08 5.02 -1.26 -0.26 118.16 124.75 3fwt n LYS 103 Ca -0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 3fwt n LYS 103 Cb 0.63 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.96 3fwt n LYS 103 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3fwt s HIS 104 N -3.05 3.25 -0.09 2.13 3.76 -1.26 -4.88 115.29 115.15 3fwt s HIS 104 Ca 0.09 -2.03 -0.30 0.00 -0.15 0.00 0.00 55.06 52.66 3fwt s HIS 104 Cb 0.16 -2.03 0.10 0.00 1.11 0.00 0.00 32.58 31.92 3fwt s HIS 104 CO 0.76 -0.83 0.83 0.00 -0.85 0.00 0.00 174.74 174.65 3fwt s GLY 106 N -1.27 0.08 -0.16 0.00 0.00 -1.26 -0.58 107.32 104.13 3fwt s GLY 106 Ca -0.06 -0.22 -0.24 0.00 0.00 0.00 0.00 44.72 44.20 3fwt s GLY 106 CO 0.04 -0.34 0.62 0.86 0.00 0.00 0.00 173.10 174.28 3fwt s TRP 107 N -1.37 -0.64 -1.29 1.90 -0.00 -0.19 -4.81 118.94 112.55 3fwt s TRP 107 Ca -0.15 1.39 -0.04 0.00 -0.00 0.00 0.00 56.10 57.31 3fwt s TRP 107 Cb -0.08 0.28 0.02 0.00 -0.00 0.00 0.00 33.47 33.69 3fwt s TRP 107 CO 0.01 -0.43 0.27 -1.71 -0.00 0.00 0.00 176.95 175.09 3fwt n ASN 108 N 2.03 -4.48 -0.28 5.86 5.15 -1.26 -1.80 115.26 120.48 3fwt n ASN 108 Ca -0.16 -0.10 -0.03 0.00 -0.60 0.00 0.00 54.58 53.69 3fwt n ASN 108 Cb 0.56 -3.72 -0.01 0.00 -0.53 0.00 0.00 39.78 36.08 3fwt n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fwt n GLY 109 N -1.08 0.57 3.26 8.20 0.00 -1.26 -5.01 105.19 109.87 3fwt n GLY 109 Ca -0.11 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3fwt n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fwt s THR 110 N -2.13 -0.02 0.53 2.61 2.01 -0.75 -5.13 115.64 112.75 3fwt s THR 110 Ca 0.00 0.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 3fwt s THR 110 Cb 0.00 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 3fwt s THR 110 CO 0.00 0.04 1.07 0.20 -0.69 0.00 0.00 174.62 175.24 3fwt s ASN 111 N 1.29 6.00 0.00 3.53 0.02 -1.26 -1.02 114.94 123.50 3fwt s ASN 111 Ca -0.09 2.00 0.14 0.00 -1.02 0.00 0.00 52.86 53.89 3fwt s ASN 111 Cb -0.08 -2.56 0.83 0.00 0.02 0.00 0.00 41.25 39.46 3fwt s ASN 111 CO -0.11 -1.02 1.26 0.33 0.02 0.00 0.00 177.10 177.57