#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwm h GLN 3 N 0.00 0.90 -0.16 1.64 7.50 -1.99 -1.44 115.11 121.56 1fwm h GLN 3 Ca 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1fwm h GLN 3 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.32 1fwm h GLN 3 CO 0.00 0.60 0.07 -0.92 -1.50 0.00 0.00 178.83 177.08 1fwm h TYR 4 N 0.92 0.23 -0.50 2.96 3.20 -1.99 -1.37 116.97 120.42 1fwm h TYR 4 Ca 0.25 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1fwm h TYR 4 Cb -0.10 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1fwm h TYR 4 CO -0.02 0.27 0.26 -0.07 -1.64 0.00 0.00 178.16 176.96 1fwm h LEU 5 N 0.12 0.62 -0.71 2.82 3.38 -1.96 -1.42 115.31 118.16 1fwm h LEU 5 Ca 0.05 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1fwm h LEU 5 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fwm h LEU 5 CO -0.01 0.52 -0.53 -0.33 0.09 0.00 0.00 178.44 178.18 1fwm h GLU 6 N 0.70 0.32 -0.35 1.13 5.08 -0.98 -1.95 114.58 118.52 1fwm h GLU 6 Ca 0.18 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1fwm h GLU 6 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1fwm h GLU 6 CO -0.03 0.77 0.07 1.25 -1.00 0.00 0.00 179.01 180.07 1fwm h LEU 7 N 0.25 0.55 -0.00 1.33 6.46 -0.31 -1.72 115.31 121.86 1fwm h LEU 7 Ca 0.01 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1fwm h LEU 7 Cb 1.01 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1fwm h LEU 7 CO 0.09 0.66 -0.05 0.24 -0.62 0.00 0.00 178.44 178.75 1fwm h MET 8 N 0.41 -0.09 -0.01 1.25 2.86 -1.11 -1.10 114.93 117.15 1fwm h MET 8 Ca 0.11 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1fwm h MET 8 Cb 0.34 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1fwm h MET 8 CO 0.00 -0.06 0.01 0.37 1.06 0.00 0.00 176.91 178.30 1fwm h GLN 9 N -0.09 0.00 -0.11 1.72 5.75 -1.30 -2.44 115.11 118.64 1fwm h GLN 9 Ca 0.02 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.37 1fwm h GLN 9 Cb 0.12 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.68 1fwm h GLN 9 CO -0.06 0.00 -0.52 -0.22 -2.65 0.00 0.00 178.83 175.38 1fwm h LYS 10 N 0.00 0.55 0.00 1.69 3.64 -0.27 -1.94 116.57 120.25 1fwm h LYS 10 Ca 0.00 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.85 1fwm h LYS 10 Cb 0.02 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1fwm h LYS 10 CO -0.00 1.07 -0.41 -0.39 -2.27 0.00 0.00 179.45 177.45 1fwm h VAL 11 N 0.17 1.19 -0.17 2.00 -1.51 -0.94 0.65 116.25 117.64 1fwm h VAL 11 Ca -0.03 -1.45 -0.14 0.00 -1.23 0.00 0.00 66.70 63.85 1fwm h VAL 11 Cb 1.17 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 1fwm h VAL 11 CO 0.11 0.40 -0.49 -0.07 -1.23 0.00 0.00 177.57 176.29 1fwm h LEU 12 N 0.00 0.50 0.15 4.19 3.38 -1.41 0.29 115.31 122.41 1fwm h LEU 12 Ca -0.00 -0.25 -0.31 0.00 0.09 0.00 0.00 57.88 57.40 1fwm h LEU 12 Cb 0.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1fwm h LEU 12 CO 0.05 0.91 -1.53 0.44 0.09 0.00 0.00 178.44 178.40 1fwm h ASP 13 N 0.37 0.49 -0.01 -0.43 3.32 -0.92 -3.39 116.42 115.85 1fwm h ASP 13 Ca 0.02 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1fwm h ASP 13 Cb 0.99 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1fwm h ASP 13 CO 0.09 1.53 -0.05 -0.62 -1.72 0.00 0.00 179.24 178.46 1fwm n GLU 14 N -3.52 0.99 -1.80 3.56 1.02 0.18 -5.05 120.64 116.03 1fwm n GLU 14 Ca -0.17 -0.67 -0.34 0.00 -0.02 0.00 0.00 57.16 55.96 1fwm n GLU 14 Cb 1.05 -1.03 0.05 0.00 -0.02 0.00 0.00 31.44 31.49 1fwm n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1fwm s GLY 15 N -0.71 2.37 0.05 0.62 0.00 0.10 -4.85 107.32 104.91 1fwm s GLY 15 Ca 0.06 0.75 0.06 0.00 0.00 0.00 0.00 44.72 45.58 1fwm s GLY 15 CO 0.10 1.12 -0.12 -1.59 0.00 0.00 0.00 173.10 172.62 1fwm s THR 16 N -2.04 3.26 -0.00 0.90 2.01 -0.50 -4.72 115.64 114.55 1fwm s THR 16 Ca 0.71 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1fwm s THR 16 Cb -0.25 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1fwm s THR 16 CO 0.39 0.27 1.11 -1.10 -0.69 0.00 0.00 174.62 174.60 1fwm s GLN 17 N -1.72 4.45 0.13 4.92 -0.21 -1.26 -0.43 119.66 125.53 1fwm s GLN 17 Ca 0.18 1.60 0.02 0.00 0.02 0.00 0.00 55.36 57.18 1fwm s GLN 17 Cb -0.11 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 1fwm s GLN 17 CO 0.09 -0.24 -0.06 0.15 -2.12 0.00 0.00 175.29 173.11 1fwm s LYS 18 N 1.42 0.96 0.26 2.91 1.02 0.09 -4.97 119.74 121.43 1fwm s LYS 18 Ca 0.55 -1.41 0.06 0.00 0.02 0.00 0.00 55.97 55.19 1fwm s LYS 18 Cb -0.25 -0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 1fwm s LYS 18 CO 0.26 -0.02 0.29 -0.80 -0.92 0.00 0.00 175.35 174.15 1fwm s ASN 19 N -3.11 5.83 0.20 2.83 0.01 -1.26 -0.61 114.94 118.84 1fwm s ASN 19 Ca 0.16 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 52.16 1fwm s ASN 19 Cb 0.05 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.14 1fwm s ASN 19 CO -0.01 -0.11 0.11 1.51 -1.51 0.00 0.00 177.10 177.09 1fwm s ASP 20 N -3.93 0.33 0.04 -1.22 -4.77 -1.26 -4.85 116.67 101.00 1fwm s ASP 20 Ca 0.35 -1.36 0.01 0.00 -3.30 0.00 0.00 52.55 48.25 1fwm s ASP 20 Cb -0.08 0.34 0.08 0.00 -1.09 0.00 0.00 42.92 42.16 1fwm s ASP 20 CO 0.27 -0.81 0.86 -2.11 0.70 0.00 0.00 175.17 174.08 1fwm n ARG 21 N -0.27 0.01 -0.11 2.11 1.85 -1.26 -1.48 116.66 117.50 1fwm n ARG 21 Ca 0.01 0.33 -0.17 0.00 -1.00 0.00 0.00 57.85 57.02 1fwm n ARG 21 Cb 0.66 -1.74 -0.13 0.00 -1.05 0.00 0.00 32.46 30.19 1fwm n ARG 21 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1fwm n THR 22 N -1.38 1.50 0.00 8.89 -2.24 -1.26 -5.01 114.28 114.77 1fwm n THR 22 Ca -0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1fwm n THR 22 Cb 0.21 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1fwm n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fwm n GLY 23 N 2.13 1.12 0.13 3.38 0.00 -0.55 -5.00 105.19 106.39 1fwm n GLY 23 Ca -0.42 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1fwm n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fwm h THR 24 N 0.00 1.46 0.00 2.61 2.02 -1.95 -3.48 112.91 113.57 1fwm h THR 24 Ca 0.00 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1fwm h THR 24 Cb 0.00 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1fwm h THR 24 CO 0.00 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.21 1fwm n GLY 25 N 1.54 1.29 3.13 2.16 0.00 -1.26 -4.56 105.19 107.49 1fwm n GLY 25 Ca -0.13 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 1fwm n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwm s THR 26 N -1.56 0.48 -0.22 2.61 -4.23 0.22 -1.11 115.64 111.83 1fwm s THR 26 Ca 0.00 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1fwm s THR 26 Cb 0.00 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1fwm s THR 26 CO 0.00 -0.93 0.07 -0.22 -0.54 0.00 0.00 174.62 173.01 1fwm s LEU 27 N -2.97 3.64 -0.02 4.79 0.20 0.41 -0.73 118.68 124.01 1fwm s LEU 27 Ca 0.09 -0.06 -0.09 0.00 0.69 0.00 0.00 54.13 54.76 1fwm s LEU 27 Cb 0.06 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 1fwm s LEU 27 CO -0.07 0.06 0.20 -0.94 -0.29 0.00 0.00 176.35 175.31 1fwm s SER 28 N 1.04 -0.07 0.34 3.68 1.04 0.42 -1.21 113.70 118.94 1fwm s SER 28 Ca 0.04 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1fwm s SER 28 Cb -0.14 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 1fwm s SER 28 CO 0.03 -0.34 -0.10 0.27 0.98 0.00 0.00 173.24 174.08 1fwm s ILE 29 N -1.13 2.25 -0.14 -1.02 -4.36 -0.31 -1.41 121.20 115.08 1fwm s ILE 29 Ca -0.12 -2.21 -0.00 0.00 -0.26 0.00 0.00 60.65 58.06 1fwm s ILE 29 Cb -0.06 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 41.04 1fwm s ILE 29 CO 0.02 -0.21 -0.09 0.12 0.24 0.00 0.00 174.94 175.02 1fwm s PHE 30 N -2.61 1.80 0.00 1.37 5.36 -1.26 -1.19 117.98 121.45 1fwm s PHE 30 Ca 0.32 -1.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 1fwm s PHE 30 Cb 0.02 -1.39 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 1fwm s PHE 30 CO 0.16 -0.60 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 1fwm n GLY 31 N 4.86 -0.52 3.39 13.12 0.00 -0.86 -5.02 105.19 120.16 1fwm n GLY 31 Ca -0.14 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1fwm n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fwm s HIS 32 N 0.00 -0.43 -0.19 1.61 2.46 -1.07 -4.96 115.29 112.72 1fwm s HIS 32 Ca 0.00 0.33 -0.14 0.00 0.47 0.00 0.00 55.06 55.72 1fwm s HIS 32 Cb 0.00 0.40 0.05 0.00 -0.13 0.00 0.00 32.58 32.90 1fwm s HIS 32 CO 0.00 -0.72 0.48 -1.14 -2.47 0.00 0.00 174.74 170.88 1fwm s GLN 33 N -3.10 0.52 0.01 2.88 0.74 -1.26 -0.50 119.66 118.95 1fwm s GLN 33 Ca -0.02 0.76 -0.06 0.00 0.05 0.00 0.00 55.36 56.09 1fwm s GLN 33 Cb -0.00 0.16 -0.00 0.00 1.10 0.00 0.00 33.01 34.27 1fwm s GLN 33 CO -0.07 -0.10 0.10 0.00 -0.55 0.00 0.00 175.29 174.67 1fwm s MET 34 N 0.76 0.48 0.06 1.67 0.23 -0.00 -4.98 119.30 117.50 1fwm s MET 34 Ca -0.04 -0.50 0.09 0.00 -1.03 0.00 0.00 55.69 54.20 1fwm s MET 34 Cb -0.05 0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 33.41 1fwm s MET 34 CO -0.06 -0.11 -0.24 0.50 -2.03 0.00 0.00 175.02 173.09 1fwm s ARG 35 N -1.63 1.84 -0.15 3.16 3.52 -1.26 -0.08 118.95 124.34 1fwm s ARG 35 Ca -0.13 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 1fwm s ARG 35 Cb -0.07 -2.04 0.03 0.00 -1.56 0.00 0.00 34.95 31.31 1fwm s ARG 35 CO 0.00 0.51 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.83 1fwm s PHE 36 N -0.88 1.97 -0.62 5.12 0.40 0.33 -4.96 117.98 119.35 1fwm s PHE 36 Ca 0.13 -1.12 -0.25 0.00 -0.60 0.00 0.00 56.93 55.09 1fwm s PHE 36 Cb -0.10 -1.48 0.04 0.00 0.51 0.00 0.00 43.02 41.99 1fwm s PHE 36 CO 0.04 -0.63 1.04 1.21 0.70 0.00 0.00 175.22 177.58 1fwm s ASN 37 N 1.55 6.28 0.10 1.36 3.04 -1.26 -0.35 114.94 125.66 1fwm s ASN 37 Ca 0.04 -0.46 0.06 0.00 0.04 0.00 0.00 52.86 52.53 1fwm s ASN 37 Cb -0.13 -2.47 0.31 0.00 -1.54 0.00 0.00 41.25 37.41 1fwm s ASN 37 CO -0.10 -1.43 1.10 0.18 -3.04 0.00 0.00 177.10 173.82 1fwm n LEU 38 N 8.01 0.15 0.04 3.21 4.77 -0.50 -0.80 117.00 131.88 1fwm n LEU 38 Ca 0.02 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1fwm n LEU 38 Cb 0.47 -0.51 0.24 0.00 -2.33 0.00 0.00 43.42 41.30 1fwm n LEU 38 CO 0.66 -0.55 0.46 0.00 -1.33 0.00 0.00 177.39 176.63 1fwm n GLN 39 N -1.65 0.18 0.17 3.23 6.02 -1.26 -3.32 117.38 120.75 1fwm n GLN 39 Ca -0.00 0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.18 1fwm n GLN 39 Cb 0.10 -1.62 0.40 0.00 1.02 0.00 0.00 30.24 30.14 1fwm n GLN 39 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1fwm h ASP 40 N 0.00 0.00 -3.26 1.08 3.32 -1.36 -3.48 116.42 112.72 1fwm h ASP 40 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fwm h ASP 40 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1fwm h ASP 40 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1fwm n GLY 41 N 0.77 2.98 3.67 2.75 0.00 -1.21 -4.86 105.19 109.28 1fwm n GLY 41 Ca 0.04 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1fwm n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fwm s PHE 42 N -1.99 3.37 -0.89 1.61 5.36 0.05 -4.58 117.98 120.92 1fwm s PHE 42 Ca 0.00 1.49 -0.22 0.00 -0.96 0.00 0.00 56.93 57.24 1fwm s PHE 42 Cb 0.00 -3.26 -0.13 0.00 -0.34 0.00 0.00 43.02 39.29 1fwm s PHE 42 CO 0.00 -0.45 1.94 -0.35 -1.46 0.00 0.00 175.22 174.90 1fwm n PRO 43 N 6.04 1.64 -3.91 10.12 -0.04 -1.26 -3.92 135.00 143.67 1fwm n PRO 43 Ca 0.11 -2.02 -0.35 0.00 -0.04 0.00 0.00 63.50 61.21 1fwm n PRO 43 Cb 0.47 -3.07 -0.14 0.00 -0.04 0.00 0.00 33.50 30.71 1fwm n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fwm s LEU 44 N 2.71 3.03 0.23 1.53 2.96 -1.26 -4.10 118.68 123.78 1fwm s LEU 44 Ca 0.58 -0.55 -0.31 0.00 -0.22 0.00 0.00 54.13 53.63 1fwm s LEU 44 Cb 0.12 -1.72 -0.14 0.00 0.50 0.00 0.00 46.19 44.95 1fwm s LEU 44 CO 0.11 -0.06 1.33 1.33 -1.32 0.00 0.00 176.35 177.73 1fwm n VAL 45 N 4.77 0.98 0.37 1.68 0.24 -1.26 -4.80 118.33 120.31 1fwm n VAL 45 Ca -0.17 -0.25 0.09 0.00 -2.04 0.00 0.00 64.34 61.97 1fwm n VAL 45 Cb 0.50 -1.30 -0.12 0.00 -1.47 0.00 0.00 33.84 31.44 1fwm n VAL 45 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1fwm n THR 46 N 1.73 0.00 1.24 3.34 -2.24 -1.26 -4.48 114.28 112.61 1fwm n THR 46 Ca 0.12 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1fwm n THR 46 Cb 0.30 0.51 0.13 0.00 -2.10 0.00 0.00 70.33 69.17 1fwm n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1fwm n THR 47 N -1.79 0.00 -3.62 4.28 -2.24 -1.26 -0.49 114.28 109.16 1fwm n THR 47 Ca -0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1fwm n THR 47 Cb 0.37 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 1fwm n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1fwm s LYS 48 N -2.00 0.30 0.14 -0.78 -2.85 -1.26 -4.67 119.74 108.62 1fwm s LYS 48 Ca 0.07 0.19 -0.31 0.00 -1.00 0.00 0.00 55.97 54.91 1fwm s LYS 48 Cb 0.03 0.14 -0.08 0.00 -2.06 0.00 0.00 37.83 35.86 1fwm s LYS 48 CO 0.05 -0.07 1.36 0.50 0.10 0.00 0.00 175.35 177.29 1fwm s ARG 49 N -0.53 4.34 0.22 1.78 3.52 -0.87 -4.67 118.95 122.75 1fwm s ARG 49 Ca 0.04 2.06 0.08 0.00 -0.13 0.00 0.00 55.73 57.78 1fwm s ARG 49 Cb -0.03 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1fwm s ARG 49 CO -0.07 -0.38 0.07 0.00 -0.81 0.00 0.00 175.30 174.12 1fwm s HIS 51 N -2.03 3.54 0.20 0.00 2.46 -1.26 -4.92 115.29 113.29 1fwm s HIS 51 Ca 0.31 -1.71 -0.10 0.00 0.47 0.00 0.00 55.06 54.03 1fwm s HIS 51 Cb -0.08 -3.87 0.23 0.00 -0.13 0.00 0.00 32.58 28.73 1fwm s HIS 51 CO 0.21 -1.06 1.80 -0.07 -2.47 0.00 0.00 174.74 173.15 1fwm h LEU 52 N 8.41 0.48 -0.72 8.88 -0.00 -1.99 -2.49 115.31 127.88 1fwm h LEU 52 Ca -0.01 0.04 0.14 0.00 -0.00 0.00 0.00 57.88 58.04 1fwm h LEU 52 Cb 1.06 -0.06 -0.14 0.00 -0.00 0.00 0.00 40.66 41.52 1fwm h LEU 52 CO 0.87 0.31 -0.23 -0.09 -0.00 0.00 0.00 178.44 179.31 1fwm h ARG 53 N 0.62 -0.04 -0.53 1.13 2.43 -2.00 0.33 114.38 116.32 1fwm h ARG 53 Ca 0.29 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1fwm h ARG 53 Cb 0.20 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1fwm h ARG 53 CO -0.19 -0.02 -0.00 0.77 -1.51 0.00 0.00 179.97 179.01 1fwm h SER 54 N -0.04 0.91 -0.39 -3.80 0.02 -1.84 -2.65 113.55 105.77 1fwm h SER 54 Ca 0.33 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1fwm h SER 54 Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1fwm h SER 54 CO -0.76 1.00 -0.00 0.40 -1.14 0.00 0.00 176.83 176.33 1fwm h ILE 55 N 0.80 1.26 -0.06 3.27 2.04 -0.84 -2.22 117.51 121.76 1fwm h ILE 55 Ca 0.15 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1fwm h ILE 55 Cb 0.53 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1fwm h ILE 55 CO 0.03 0.34 0.01 0.40 0.00 0.00 0.00 178.15 178.92 1fwm h ILE 56 N 0.51 1.22 -0.28 -0.67 5.03 -1.03 -2.75 117.51 119.54 1fwm h ILE 56 Ca 0.11 -0.66 -0.04 0.00 -0.12 0.00 0.00 64.86 64.15 1fwm h ILE 56 Cb 0.47 1.56 -0.02 0.00 -3.03 0.00 0.00 36.82 35.80 1fwm h ILE 56 CO 0.02 0.18 0.01 0.45 -0.68 0.00 0.00 178.15 178.13 1fwm h HIS 57 N -0.16 0.43 -0.10 1.37 3.86 -1.51 -1.50 115.15 117.54 1fwm h HIS 57 Ca 0.02 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1fwm h HIS 57 Cb 0.28 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1fwm h HIS 57 CO 0.02 0.43 0.02 1.49 0.86 0.00 0.00 177.93 180.74 1fwm h GLU 58 N 0.41 0.17 -0.91 2.45 4.81 -1.32 -1.47 114.58 118.72 1fwm h GLU 58 Ca 0.09 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1fwm h GLU 58 Cb 0.26 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1fwm h GLU 58 CO 0.01 0.37 0.60 1.25 -0.73 0.00 0.00 179.01 180.50 1fwm h LEU 59 N -0.06 1.02 -1.08 1.64 5.85 -1.15 0.07 115.31 121.60 1fwm h LEU 59 Ca 0.03 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1fwm h LEU 59 Cb 0.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1fwm h LEU 59 CO 0.00 0.72 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.56 1fwm h LEU 60 N 1.20 0.41 -0.18 2.25 4.07 -1.20 -1.47 115.31 120.39 1fwm h LEU 60 Ca 0.35 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 1fwm h LEU 60 Cb -0.09 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1fwm h LEU 60 CO -0.09 0.62 0.00 -0.25 -1.08 0.00 0.00 178.44 177.64 1fwm h TRP 61 N 0.38 0.35 -0.03 1.13 7.01 -0.31 -2.72 115.95 121.76 1fwm h TRP 61 Ca 0.06 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1fwm h TRP 61 Cb 0.57 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1fwm h TRP 61 CO 0.02 0.52 -0.08 0.74 -2.79 0.00 0.00 178.44 176.85 1fwm h PHE 62 N 0.08 -0.19 -0.07 2.65 0.04 -0.66 -2.77 116.94 116.01 1fwm h PHE 62 Ca 0.05 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.85 1fwm h PHE 62 Cb 0.38 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 1fwm h PHE 62 CO 0.03 -0.12 0.10 -0.07 -0.60 0.00 0.00 178.31 177.66 1fwm h LEU 63 N -0.12 0.00 -0.03 1.54 3.38 -1.20 0.43 115.31 119.30 1fwm h LEU 63 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fwm h LEU 63 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1fwm h LEU 63 CO -0.11 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.13 1fwm n GLN 64 N -3.58 0.08 -0.92 1.13 1.13 -1.03 -4.93 117.38 109.25 1fwm n GLN 64 Ca -0.01 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1fwm n GLN 64 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1fwm n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fwm n GLY 65 N 1.48 0.44 3.80 1.08 0.00 0.14 -5.04 105.19 107.10 1fwm n GLY 65 Ca 0.07 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1fwm n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fwm s ASP 66 N -2.80 7.15 -0.01 1.61 -1.08 -1.13 -4.04 116.67 116.38 1fwm s ASP 66 Ca 0.00 1.53 0.02 0.00 -0.52 0.00 0.00 52.55 53.58 1fwm s ASP 66 Cb 0.00 -2.46 0.02 0.00 -1.46 0.00 0.00 42.92 39.02 1fwm s ASP 66 CO 0.00 0.03 0.77 0.35 0.52 0.00 0.00 175.17 176.84 1fwm n THR 67 N 0.77 0.43 -4.54 1.71 -2.24 -1.26 -4.28 114.28 104.87 1fwm n THR 67 Ca -0.02 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 1fwm n THR 67 Cb 0.51 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 69.31 1fwm n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1fwm s ASN 68 N -0.67 4.68 0.00 3.42 3.84 -1.26 -1.96 114.94 122.98 1fwm s ASN 68 Ca 0.03 -0.06 0.21 0.00 0.21 0.00 0.00 52.86 53.25 1fwm s ASN 68 Cb 0.02 -1.15 1.25 0.00 -0.55 0.00 0.00 41.25 40.82 1fwm s ASN 68 CO 0.00 0.33 1.75 2.30 -2.79 0.00 0.00 177.10 178.69 1fwm n ILE 69 N 1.94 0.00 -0.11 -5.21 -6.64 -0.01 -4.09 119.36 105.24 1fwm n ILE 69 Ca -0.17 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.76 1fwm n ILE 69 Cb 0.53 -0.40 0.02 0.00 -1.44 0.00 0.00 39.64 38.35 1fwm n ILE 69 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fwm h ALA 70 N 3.55 0.35 -0.41 -1.28 0.00 -1.92 -0.65 119.26 118.89 1fwm h ALA 70 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1fwm h ALA 70 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1fwm h ALA 70 CO 0.00 -0.39 0.20 -0.92 0.00 0.00 0.00 179.25 178.14 1fwm h TYR 71 N 0.11 0.37 -0.51 0.00 3.20 -2.00 -0.92 116.97 117.22 1fwm h TYR 71 Ca 0.18 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1fwm h TYR 71 Cb 0.25 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1fwm h TYR 71 CO -0.25 0.19 0.27 -0.07 -1.64 0.00 0.00 178.16 176.66 1fwm h LEU 72 N 0.41 0.61 -0.44 2.82 3.38 -1.63 -2.21 115.31 118.24 1fwm h LEU 72 Ca 0.18 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1fwm h LEU 72 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1fwm h LEU 72 CO -0.13 0.50 -0.46 0.45 0.09 0.00 0.00 178.44 178.89 1fwm h HIS 73 N 0.70 0.97 0.00 1.13 3.86 -0.37 0.14 115.15 121.58 1fwm h HIS 73 Ca 0.18 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1fwm h HIS 73 Cb 0.02 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1fwm h HIS 73 CO 0.00 1.10 0.00 0.93 0.86 0.00 0.00 177.93 180.83 1fwm h GLU 74 N 0.64 0.00 -0.07 2.45 5.08 -0.56 -1.27 114.58 120.84 1fwm h GLU 74 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1fwm h GLU 74 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1fwm h GLU 74 CO 0.10 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 1fwm n ASN 75 N -2.82 2.72 -3.61 1.42 4.13 -0.98 -5.01 115.26 111.10 1fwm n ASN 75 Ca -0.03 -3.02 -0.23 0.00 1.68 0.00 0.00 54.58 52.98 1fwm n ASN 75 Cb 0.06 -0.44 0.07 0.00 -1.54 0.00 0.00 39.78 37.93 1fwm n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1fwm n ASN 76 N -1.16 -4.68 -4.17 6.41 3.02 -0.48 -5.00 115.26 109.20 1fwm n ASN 76 Ca 0.17 -0.62 -0.34 0.00 -0.03 0.00 0.00 54.58 53.76 1fwm n ASN 76 Cb 0.69 -4.81 -0.15 0.00 -0.61 0.00 0.00 39.78 34.89 1fwm n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fwm s VAL 77 N -3.35 2.47 -0.44 2.41 1.01 0.44 -4.98 120.40 117.95 1fwm s VAL 77 Ca 0.41 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1fwm s VAL 77 Cb -0.19 -2.12 0.20 0.00 0.00 0.00 0.00 36.38 34.27 1fwm s VAL 77 CO 0.75 0.43 1.16 0.35 0.00 0.00 0.00 175.10 177.79 1fwm n THR 78 N 4.65 1.15 0.29 3.92 -2.24 -1.26 -3.98 114.28 116.82 1fwm n THR 78 Ca -0.19 -1.14 0.19 0.00 -2.27 0.00 0.00 64.05 60.63 1fwm n THR 78 Cb 0.49 0.40 1.00 0.00 -2.10 0.00 0.00 70.33 70.12 1fwm n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1fwm h ILE 79 N 1.05 0.00 -0.01 2.28 3.07 -1.97 -2.77 117.51 119.16 1fwm h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1fwm h ILE 79 Cb 0.71 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1fwm h ILE 79 CO 0.02 0.00 -0.40 0.79 -1.05 0.00 0.00 178.15 177.50 1fwm n TRP 80 N -2.83 0.00 -0.27 0.16 7.02 -1.26 -4.74 117.44 115.52 1fwm n TRP 80 Ca -0.02 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.52 1fwm n TRP 80 Cb 0.11 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.18 1fwm n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1fwm h ASP 81 N 1.25 -0.30 -0.11 -0.99 5.19 -1.84 -2.45 116.42 117.17 1fwm h ASP 81 Ca 0.00 0.20 0.03 0.00 -0.62 0.00 0.00 57.03 56.64 1fwm h ASP 81 Cb 0.47 0.34 -0.00 0.00 0.18 0.00 0.00 39.33 40.31 1fwm h ASP 81 CO 0.00 -0.18 0.29 -0.33 -3.12 0.00 0.00 179.24 175.90 1fwm h GLU 82 N 0.12 0.00 0.00 3.56 3.07 -1.85 -2.77 114.58 116.71 1fwm h GLU 82 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1fwm h GLU 82 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1fwm h GLU 82 CO -0.67 0.00 -0.87 0.91 -1.40 0.00 0.00 179.01 176.98 1fwm n TRP 83 N -3.23 0.00 -2.47 4.33 8.01 -0.93 -5.00 117.44 118.14 1fwm n TRP 83 Ca 0.00 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.85 1fwm n TRP 83 Cb 0.38 -0.08 -0.03 0.00 -2.01 0.00 0.00 31.31 29.57 1fwm n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1fwm s ALA 84 N -2.41 2.86 0.71 6.99 0.00 -1.05 -4.82 121.76 124.04 1fwm s ALA 84 Ca 0.02 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1fwm s ALA 84 Cb 0.10 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1fwm s ALA 84 CO 0.54 -0.41 0.00 -0.40 0.00 0.00 0.00 175.76 175.49 1fwm n ASP 85 N -0.93 0.00 -0.00 0.00 5.68 -0.48 -4.83 116.55 115.99 1fwm n ASP 85 Ca 0.09 -0.99 0.21 0.00 -0.50 0.00 0.00 54.79 53.60 1fwm n ASP 85 Cb 0.52 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.20 1fwm n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1fwm h GLU 86 N 0.00 0.00 -0.22 0.11 3.07 -1.97 -1.02 114.58 114.55 1fwm h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1fwm h GLU 86 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1fwm h GLU 86 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1fwm n ASN 87 N -4.26 2.86 0.00 1.42 3.02 -1.26 -4.93 115.26 112.11 1fwm n ASN 87 Ca 0.10 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1fwm n ASN 87 Cb 0.64 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1fwm n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fwm n GLY 88 N 1.37 0.71 3.80 7.41 0.00 -0.39 -4.87 105.19 113.23 1fwm n GLY 88 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1fwm n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fwm s ASP 89 N -2.19 7.21 0.00 1.61 1.01 -1.26 -0.83 116.67 122.22 1fwm s ASP 89 Ca 0.00 1.45 0.09 0.00 0.71 0.00 0.00 52.55 54.80 1fwm s ASP 89 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1fwm s ASP 89 CO 0.00 0.22 0.49 0.18 0.21 0.00 0.00 175.17 176.27 1fwm n LEU 90 N 1.54 0.79 0.00 1.23 4.77 -0.83 -1.38 117.00 123.12 1fwm n LEU 90 Ca -0.07 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1fwm n LEU 90 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1fwm n LEU 90 CO 0.44 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1fwm n GLY 91 N 1.04 -0.46 3.19 -0.72 0.00 -1.26 -0.57 105.19 106.42 1fwm n GLY 91 Ca 0.03 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1fwm n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fwm n PRO 92 N -0.51 1.38 -0.02 1.61 -0.04 -1.26 -4.85 135.00 131.31 1fwm n PRO 92 Ca 0.00 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1fwm n PRO 92 Cb 0.00 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1fwm n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1fwm n VAL 93 N 6.33 0.00 -0.07 0.52 0.24 -1.26 -4.56 118.33 119.53 1fwm n VAL 93 Ca 0.49 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.77 1fwm n VAL 93 Cb 0.41 -1.35 -0.02 0.00 -1.47 0.00 0.00 33.84 31.41 1fwm n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1fwm n TYR 94 N -0.03 -0.07 -0.30 6.34 4.01 -1.26 -1.00 117.16 124.84 1fwm n TYR 94 Ca 0.00 0.20 0.09 0.00 -0.16 0.00 0.00 57.90 58.03 1fwm n TYR 94 Cb 0.00 -0.35 0.25 0.00 -0.31 0.00 0.00 39.34 38.93 1fwm n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1fwm h GLY 95 N 0.00 1.43 0.82 2.72 0.00 -1.76 -0.91 103.07 105.37 1fwm h GLY 95 Ca 0.03 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1fwm h GLY 95 CO -0.15 -0.09 -0.39 1.70 0.00 0.00 0.00 176.54 177.61 1fwm h LYS 96 N 0.58 0.47 -0.43 4.80 1.63 -1.21 -2.83 116.57 119.57 1fwm h LYS 96 Ca 0.49 -0.35 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 1fwm h LYS 96 Cb 0.76 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1fwm h LYS 96 CO -0.40 0.97 -0.11 1.96 -3.45 0.00 0.00 179.45 178.42 1fwm h GLN 97 N 0.06 0.78 0.04 1.90 1.08 -1.15 0.41 115.11 118.23 1fwm h GLN 97 Ca -0.02 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1fwm h GLN 97 Cb 1.02 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1fwm h GLN 97 CO 0.08 0.85 -0.02 -1.49 -0.95 0.00 0.00 178.83 177.31 1fwm h TRP 98 N 0.70 -0.05 0.00 2.96 4.06 -1.24 -3.19 115.95 119.19 1fwm h TRP 98 Ca 0.12 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1fwm h TRP 98 Cb 0.58 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1fwm h TRP 98 CO 0.03 0.16 -1.29 0.54 -3.56 0.00 0.00 178.44 174.32 1fwm n ARG 99 N -5.02 0.52 -2.86 0.49 5.12 -1.07 -0.43 116.66 113.41 1fwm n ARG 99 Ca -0.08 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.72 1fwm n ARG 99 Cb 0.14 -1.67 0.04 0.00 -1.16 0.00 0.00 32.46 29.80 1fwm n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fwm n ALA 100 N -2.09 -0.18 -2.16 7.54 0.00 0.14 -3.86 120.51 119.91 1fwm n ALA 100 Ca -0.01 -1.97 -0.42 0.00 0.00 0.00 0.00 53.44 51.04 1fwm n ALA 100 Cb 0.52 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1fwm n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1fwm s TRP 101 N -0.18 2.48 0.08 0.00 -0.11 -0.30 -4.63 118.94 116.28 1fwm s TRP 101 Ca 0.30 0.58 -0.30 0.00 1.22 0.00 0.00 56.10 57.89 1fwm s TRP 101 Cb 0.27 -3.75 -0.05 0.00 -1.50 0.00 0.00 33.47 28.44 1fwm s TRP 101 CO -0.13 -2.95 0.97 -1.25 -4.62 0.00 0.00 176.95 168.98 1fwm s PRO 102 N 3.25 4.66 0.40 5.86 0.04 -1.26 -0.23 135.00 147.71 1fwm s PRO 102 Ca 0.66 1.44 0.07 0.00 0.04 0.00 0.00 61.00 63.22 1fwm s PRO 102 Cb -0.31 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1fwm s PRO 102 CO 0.26 0.13 0.55 0.95 0.04 0.00 0.00 177.00 178.93 1fwm s THR 103 N 0.31 3.40 0.33 1.26 -4.23 -0.32 -4.98 115.64 111.41 1fwm s THR 103 Ca 0.48 -0.97 0.08 0.00 -1.18 0.00 0.00 61.69 60.11 1fwm s THR 103 Cb -0.23 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.53 1fwm s THR 103 CO 0.29 -0.07 1.78 -0.65 -0.54 0.00 0.00 174.62 175.43 1fwm h PRO 104 N 0.70 0.20 -0.93 3.99 0.11 -1.97 -3.07 132.00 131.02 1fwm h PRO 104 Ca -0.42 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1fwm h PRO 104 Cb 1.27 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1fwm h PRO 104 CO 0.48 0.51 0.05 -0.40 -0.21 0.00 0.00 178.00 178.43 1fwm n ASP 105 N -4.10 2.46 -0.03 -2.05 5.68 -1.26 -4.87 116.55 112.39 1fwm n ASP 105 Ca -0.01 -2.28 -0.00 0.00 -0.50 0.00 0.00 54.79 52.00 1fwm n ASP 105 Cb 0.41 -0.56 -0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1fwm n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fwm n GLY 106 N 0.14 0.47 4.01 6.12 0.00 -1.16 -5.05 105.19 109.73 1fwm n GLY 106 Ca 0.09 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1fwm n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwm s ARG 107 N -0.63 2.55 -0.02 1.61 0.52 -1.26 -4.93 118.95 116.79 1fwm s ARG 107 Ca 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1fwm s ARG 107 Cb 0.00 -2.67 0.03 0.00 0.52 0.00 0.00 34.95 32.83 1fwm s ARG 107 CO 0.00 -0.56 0.02 -1.01 0.02 0.00 0.00 175.30 173.76 1fwm s HIS 108 N -2.52 0.15 -0.20 -0.53 3.76 -1.26 -1.17 115.29 113.51 1fwm s HIS 108 Ca 0.57 0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 55.48 1fwm s HIS 108 Cb -0.07 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1fwm s HIS 108 CO 0.35 -0.11 0.10 0.42 -0.85 0.00 0.00 174.74 174.66 1fwm s ILE 109 N 1.08 5.04 -0.67 0.60 -1.09 0.68 -4.84 121.20 122.01 1fwm s ILE 109 Ca -0.09 0.06 -0.18 0.00 -2.23 0.00 0.00 60.65 58.21 1fwm s ILE 109 Cb -0.13 -3.30 0.12 0.00 -1.58 0.00 0.00 42.46 37.56 1fwm s ILE 109 CO -0.02 0.42 0.78 -0.62 -1.23 0.00 0.00 174.94 174.27 1fwm s ASP 110 N 0.60 6.31 0.30 3.58 -1.08 -1.25 -1.14 116.67 123.99 1fwm s ASP 110 Ca 0.05 -1.65 0.04 0.00 -0.52 0.00 0.00 52.55 50.48 1fwm s ASP 110 Cb -0.12 -2.31 0.49 0.00 -1.46 0.00 0.00 42.92 39.52 1fwm s ASP 110 CO 0.01 -1.06 1.76 1.56 0.52 0.00 0.00 175.17 177.96 1fwm h GLN 111 N 8.99 0.41 -0.11 4.34 4.20 -0.99 -2.23 115.11 129.73 1fwm h GLN 111 Ca -0.19 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1fwm h GLN 111 Cb 1.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1fwm h GLN 111 CO 1.07 0.62 0.01 0.82 -0.67 0.00 0.00 178.83 180.68 1fwm h ILE 112 N 0.37 1.24 -0.11 2.54 1.08 -1.88 -0.94 117.51 119.80 1fwm h ILE 112 Ca 0.06 -0.75 -0.12 0.00 -0.39 0.00 0.00 64.86 63.66 1fwm h ILE 112 Cb 0.61 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 1fwm h ILE 112 CO 0.04 0.21 -0.47 0.71 -0.69 0.00 0.00 178.15 177.96 1fwm h THR 113 N -0.07 1.33 -0.49 -0.27 1.35 -1.87 -1.30 112.91 111.59 1fwm h THR 113 Ca 0.03 -1.66 -0.10 0.00 -0.55 0.00 0.00 66.41 64.13 1fwm h THR 113 Cb 0.32 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 1fwm h THR 113 CO 0.00 0.50 -0.09 0.71 -0.25 0.00 0.00 175.52 176.39 1fwm h THR 114 N 0.23 1.26 -0.55 6.82 1.35 -1.29 -0.83 112.91 119.91 1fwm h THR 114 Ca 0.01 -1.19 -0.09 0.00 -0.55 0.00 0.00 66.41 64.59 1fwm h THR 114 Cb 0.91 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1fwm h THR 114 CO 0.07 0.42 -0.00 0.58 -0.25 0.00 0.00 175.52 176.34 1fwm h VAL 115 N 0.80 1.26 -0.69 6.82 2.07 -0.87 -0.87 116.25 124.77 1fwm h VAL 115 Ca 0.13 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1fwm h VAL 115 Cb 0.61 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1fwm h VAL 115 CO 0.04 0.39 0.33 -0.07 0.02 0.00 0.00 177.57 178.29 1fwm h LEU 116 N 0.87 0.90 -1.09 2.57 3.38 -0.79 -0.91 115.31 120.25 1fwm h LEU 116 Ca 0.16 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1fwm h LEU 116 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1fwm h LEU 116 CO 0.03 0.78 -0.20 0.78 0.09 0.00 0.00 178.44 179.92 1fwm h ASN 117 N 0.96 0.40 0.00 -0.43 -0.26 -0.75 -2.55 115.58 112.95 1fwm h ASN 117 Ca 0.24 -0.11 -0.13 0.00 -0.56 0.00 0.00 56.30 55.73 1fwm h ASN 117 Cb 0.12 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1fwm h ASN 117 CO -0.03 0.61 -0.42 1.56 -1.06 0.00 0.00 177.43 178.08 1fwm h GLN 118 N 0.37 0.52 0.00 0.81 4.20 -0.66 -1.48 115.11 118.88 1fwm h GLN 118 Ca 0.06 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1fwm h GLN 118 Cb 0.56 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1fwm h GLN 118 CO 0.04 0.85 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.60 1fwm h LEU 119 N 0.43 0.00 0.06 1.46 3.38 -0.87 0.18 115.31 119.95 1fwm h LEU 119 Ca 0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 1fwm h LEU 119 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1fwm h LEU 119 CO 0.08 0.38 -1.03 0.50 0.09 0.00 0.00 178.44 178.45 1fwm h LYS 120 N 0.00 0.13 0.00 1.13 3.64 -1.28 -3.37 116.57 116.82 1fwm h LYS 120 Ca -0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1fwm h LYS 120 Cb 0.72 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1fwm h LYS 120 CO 0.05 1.11 -1.86 0.09 -2.27 0.00 0.00 179.45 176.57 1fwm n ASN 121 N -4.22 0.35 -2.80 4.20 3.02 -0.57 -4.68 115.26 110.57 1fwm n ASN 121 Ca -0.23 -0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.12 1fwm n ASN 121 Cb 0.75 1.86 0.02 0.00 -0.61 0.00 0.00 39.78 41.80 1fwm n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fwm n ASP 122 N -2.15 1.00 0.33 6.41 2.03 0.49 -4.95 116.55 119.72 1fwm n ASP 122 Ca -0.03 -2.79 0.20 0.00 0.52 0.00 0.00 54.79 52.69 1fwm n ASP 122 Cb 0.52 -0.40 1.08 0.00 -0.72 0.00 0.00 41.12 41.59 1fwm n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1fwm h PRO 123 N 2.94 0.00 -0.01 -0.67 0.13 -1.32 -1.04 132.00 132.04 1fwm h PRO 123 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1fwm h PRO 123 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1fwm h PRO 123 CO 0.46 0.00 -0.17 -0.25 -0.23 0.00 0.00 178.00 177.81 1fwm n ASP 124 N -2.99 0.76 -4.74 1.44 8.00 -1.26 -4.12 116.55 113.64 1fwm n ASP 124 Ca -0.03 -0.76 -0.38 0.00 0.71 0.00 0.00 54.79 54.33 1fwm n ASP 124 Cb 0.16 0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1fwm n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1fwm n SER 125 N -0.77 2.48 -1.23 -2.24 2.88 -0.40 -4.91 113.62 109.44 1fwm n SER 125 Ca 0.14 0.94 0.08 0.00 -1.33 0.00 0.00 58.87 58.70 1fwm n SER 125 Cb 0.31 -1.57 0.30 0.00 -0.75 0.00 0.00 64.21 62.50 1fwm n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fwm n ARG 126 N -1.22 3.48 -0.43 -1.46 1.74 -1.26 -4.34 116.66 113.16 1fwm n ARG 126 Ca 0.12 -2.75 0.07 0.00 -0.77 0.00 0.00 57.85 54.51 1fwm n ARG 126 Cb 0.45 -1.80 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 1fwm n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1fwm n ARG 127 N 0.46 1.55 -2.76 5.56 1.74 -1.26 -4.92 116.66 117.02 1fwm n ARG 127 Ca 0.22 -3.04 -0.43 0.00 -0.77 0.00 0.00 57.85 53.82 1fwm n ARG 127 Cb 0.84 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.67 1fwm n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fwm s ILE 128 N -3.11 4.54 0.08 0.55 1.01 -1.26 -4.93 121.20 118.07 1fwm s ILE 128 Ca 0.37 -2.07 0.07 0.00 0.00 0.00 0.00 60.65 59.02 1fwm s ILE 128 Cb 0.34 -5.03 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 1fwm s ILE 128 CO -0.03 -1.80 -0.18 -0.63 0.00 0.00 0.00 174.94 172.30 1fwm s ILE 129 N 3.06 1.44 -0.07 2.92 1.01 -1.26 -1.08 121.20 127.22 1fwm s ILE 129 Ca 0.46 -1.35 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1fwm s ILE 129 Cb -0.00 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1fwm s ILE 129 CO 0.01 -0.06 -0.12 -0.69 0.00 0.00 0.00 174.94 174.09 1fwm s VAL 130 N -1.10 1.13 -0.02 2.92 1.01 -0.66 -4.94 120.40 118.75 1fwm s VAL 130 Ca 0.03 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1fwm s VAL 130 Cb -0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1fwm s VAL 130 CO 0.03 0.36 -0.18 -0.55 0.00 0.00 0.00 175.10 174.76 1fwm s SER 131 N 0.85 2.15 0.00 3.32 0.15 -1.26 -1.85 113.70 117.05 1fwm s SER 131 Ca -0.11 -0.33 0.12 0.00 0.70 0.00 0.00 55.95 56.33 1fwm s SER 131 Cb -0.15 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1fwm s SER 131 CO 0.02 0.22 0.76 0.00 1.20 0.00 0.00 173.24 175.43 1fwm n ALA 132 N 2.67 2.85 -2.30 5.45 0.00 -0.04 -4.62 120.51 124.51 1fwm n ALA 132 Ca -0.15 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 1fwm n ALA 132 Cb 0.54 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1fwm n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1fwm n TRP 133 N 0.00 4.02 -2.89 0.00 -0.00 -1.21 -4.89 117.44 112.47 1fwm n TRP 133 Ca 0.06 -2.96 -0.43 0.00 -0.00 0.00 0.00 57.50 54.16 1fwm n TRP 133 Cb 0.27 -2.41 -0.03 0.00 -0.00 0.00 0.00 31.31 29.14 1fwm n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1fwm s ASN 134 N 3.03 6.39 0.33 5.87 3.04 -1.26 -4.88 114.94 127.47 1fwm s ASN 134 Ca 0.47 -1.51 0.09 0.00 0.04 0.00 0.00 52.86 51.95 1fwm s ASN 134 Cb 0.07 -2.41 0.84 0.00 -1.54 0.00 0.00 41.25 38.21 1fwm s ASN 134 CO -0.00 -1.26 1.79 0.58 -3.04 0.00 0.00 177.10 175.16 1fwm h VAL 135 N 5.95 0.68 0.00 -5.21 2.07 -2.01 -0.65 116.25 117.07 1fwm h VAL 135 Ca -0.06 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1fwm h VAL 135 Cb 1.05 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1fwm h VAL 135 CO 1.16 0.12 0.00 0.61 0.02 0.00 0.00 177.57 179.48 1fwm n GLY 136 N -1.37 -1.12 0.00 2.17 0.00 -1.26 -3.34 105.19 100.27 1fwm n GLY 136 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1fwm n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fwm n GLU 137 N -1.53 0.71 -0.31 1.61 1.02 -0.31 -4.77 120.64 117.06 1fwm n GLU 137 Ca 0.04 -0.80 0.17 0.00 -0.02 0.00 0.00 57.16 56.55 1fwm n GLU 137 Cb 0.21 -0.87 0.42 0.00 -0.02 0.00 0.00 31.44 31.17 1fwm n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1fwm h LEU 138 N 0.00 0.61 0.00 -4.62 4.07 -1.41 -0.59 115.31 113.37 1fwm h LEU 138 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1fwm h LEU 138 Cb 0.37 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1fwm h LEU 138 CO 0.00 0.21 0.00 -0.90 -1.08 0.00 0.00 178.44 176.67 1fwm n ASP 139 N -4.65 0.00 -0.23 -0.43 5.75 -1.26 -2.48 116.55 113.24 1fwm n ASP 139 Ca 0.22 0.42 0.11 0.00 -0.01 0.00 0.00 54.79 55.54 1fwm n ASP 139 Cb 0.66 -0.47 0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1fwm n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1fwm n LYS 140 N -1.47 0.60 -3.10 0.11 5.02 -0.23 -4.95 118.16 114.14 1fwm n LYS 140 Ca 0.05 -0.47 -0.38 0.00 -2.02 0.00 0.00 58.31 55.49 1fwm n LYS 140 Cb 0.21 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1fwm n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1fwm s MET 141 N -2.72 4.35 0.41 1.97 -1.94 -1.03 -4.27 119.30 116.05 1fwm s MET 141 Ca 0.15 0.94 0.10 0.00 -1.71 0.00 0.00 55.69 55.16 1fwm s MET 141 Cb 0.17 -3.10 0.85 0.00 2.01 0.00 0.00 34.83 34.77 1fwm s MET 141 CO 0.69 0.51 1.96 0.00 -0.01 0.00 0.00 175.02 178.17 1fwm h ALA 142 N 3.98 1.59 -2.65 3.03 0.00 -1.16 -3.44 119.26 120.61 1fwm h ALA 142 Ca -0.48 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 1fwm h ALA 142 Cb 1.20 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 1fwm h ALA 142 CO 0.65 0.30 -0.59 -0.51 0.00 0.00 0.00 179.25 179.10 1fwm s LEU 143 N -8.88 2.01 -0.15 0.00 1.43 -1.26 -5.07 118.68 106.76 1fwm s LEU 143 Ca -0.06 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 1fwm s LEU 143 Cb 0.16 0.41 -0.01 0.00 0.03 0.00 0.00 46.19 46.78 1fwm s LEU 143 CO 0.72 -0.46 0.91 0.00 0.23 0.00 0.00 176.35 177.76 1fwm s ALA 144 N -2.43 3.49 -0.09 4.21 0.00 -1.26 -4.97 121.76 120.71 1fwm s ALA 144 Ca -0.07 0.17 -0.37 0.00 0.00 0.00 0.00 51.96 51.70 1fwm s ALA 144 Cb -0.02 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 1fwm s ALA 144 CO -0.04 -0.66 1.67 -2.30 0.00 0.00 0.00 175.76 174.42 1fwm n PRO 145 N 5.23 1.54 0.10 0.00 -0.02 -1.26 -4.89 135.00 135.70 1fwm n PRO 145 Ca 0.07 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.16 1fwm n PRO 145 Cb 0.49 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1fwm n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fwm s HIS 147 N -3.10 3.54 -1.11 0.00 0.00 -1.26 -2.64 115.29 110.71 1fwm s HIS 147 Ca 0.00 -3.30 0.15 0.00 -3.00 0.00 0.00 55.06 48.91 1fwm s HIS 147 Cb 0.08 -2.76 0.46 0.00 -4.00 0.00 0.00 32.58 26.37 1fwm s HIS 147 CO 0.78 -0.59 1.39 0.00 -1.00 0.00 0.00 174.74 175.32 1fwm n ALA 148 N 2.17 2.43 -3.65 -1.38 0.00 -1.26 -4.84 120.51 113.97 1fwm n ALA 148 Ca 0.17 -1.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.20 1fwm n ALA 148 Cb 0.35 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1fwm n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fwm s PHE 149 N -1.31 -1.03 0.03 0.00 5.36 -1.25 -0.86 117.98 118.92 1fwm s PHE 149 Ca 0.35 1.88 -0.04 0.00 -0.96 0.00 0.00 56.93 58.16 1fwm s PHE 149 Cb 0.20 0.53 -0.02 0.00 -0.34 0.00 0.00 43.02 43.39 1fwm s PHE 149 CO 0.20 -0.56 0.05 -0.59 -1.46 0.00 0.00 175.22 172.86 1fwm s PHE 150 N 2.69 0.24 0.01 10.12 -0.71 -0.77 -0.63 117.98 128.94 1fwm s PHE 150 Ca -0.04 -0.55 0.04 0.00 -1.04 0.00 0.00 56.93 55.34 1fwm s PHE 150 Cb -0.12 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.50 1fwm s PHE 150 CO -0.16 -0.31 -0.12 -1.14 -1.34 0.00 0.00 175.22 172.15 1fwm s GLN 151 N -2.34 0.90 0.12 1.99 0.74 0.63 -1.65 119.66 120.05 1fwm s GLN 151 Ca -0.07 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.80 1fwm s GLN 151 Cb -0.03 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.16 1fwm s GLN 151 CO -0.04 0.23 0.14 -0.06 -0.55 0.00 0.00 175.29 175.01 1fwm s PHE 152 N -0.56 3.24 -0.11 1.67 0.08 -0.24 -0.65 117.98 121.41 1fwm s PHE 152 Ca 0.02 0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 1fwm s PHE 152 Cb -0.06 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1fwm s PHE 152 CO 0.00 0.53 0.33 -0.47 -0.10 0.00 0.00 175.22 175.50 1fwm s TYR 153 N -1.58 -0.33 -0.04 0.36 5.04 -0.61 -4.62 117.35 115.56 1fwm s TYR 153 Ca 0.31 0.79 0.05 0.00 -2.44 0.00 0.00 57.07 55.78 1fwm s TYR 153 Cb -0.11 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.31 1fwm s TYR 153 CO 0.24 -0.20 -0.20 0.08 -1.34 0.00 0.00 175.55 174.12 1fwm s VAL 154 N -0.05 1.64 -0.28 3.14 1.01 -1.26 -0.45 120.40 124.15 1fwm s VAL 154 Ca -0.02 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1fwm s VAL 154 Cb -0.03 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 35.05 1fwm s VAL 154 CO 0.01 0.46 0.74 0.00 0.00 0.00 0.00 175.10 176.32 1fwm s ALA 155 N -0.10 -1.90 -1.44 5.51 0.00 -0.96 -4.88 121.76 118.00 1fwm s ALA 155 Ca -0.02 2.28 -0.06 0.00 0.00 0.00 0.00 51.96 54.15 1fwm s ALA 155 Cb -0.12 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.66 1fwm s ALA 155 CO 0.02 -0.36 0.74 -0.25 0.00 0.00 0.00 175.76 175.91 1fwm n ASP 156 N 3.73 -2.38 -1.73 0.00 8.00 -1.26 -1.39 116.55 121.52 1fwm n ASP 156 Ca -0.18 -0.87 -0.21 0.00 0.71 0.00 0.00 54.79 54.25 1fwm n ASP 156 Cb 0.58 -3.65 -0.08 0.00 -0.02 0.00 0.00 41.12 37.95 1fwm n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwm n GLY 157 N -1.69 1.58 3.20 0.44 0.00 -1.26 -4.98 105.19 102.48 1fwm n GLY 157 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1fwm n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwm s LYS 158 N -3.97 1.97 -0.20 1.61 1.02 -0.49 -1.24 119.74 118.43 1fwm s LYS 158 Ca 0.00 -0.73 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1fwm s LYS 158 Cb 0.00 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1fwm s LYS 158 CO 0.00 0.34 0.42 -1.17 -0.92 0.00 0.00 175.35 174.02 1fwm s LEU 159 N -0.16 4.15 0.32 3.17 2.96 0.11 -2.25 118.68 126.97 1fwm s LEU 159 Ca -0.00 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 1fwm s LEU 159 Cb -0.11 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 1fwm s LEU 159 CO 0.02 -0.10 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.50 1fwm s SER 160 N 1.10 4.23 -0.17 3.68 0.01 0.40 0.32 113.70 123.27 1fwm s SER 160 Ca 0.20 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.42 1fwm s SER 160 Cb -0.15 -0.59 0.05 0.00 0.21 0.00 0.00 66.02 65.54 1fwm s SER 160 CO 0.08 -0.16 0.45 0.00 0.41 0.00 0.00 173.24 174.02 1fwm s GLN 162 N 0.73 2.70 -0.12 0.00 0.74 0.18 -0.21 119.66 123.68 1fwm s GLN 162 Ca -0.04 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.61 1fwm s GLN 162 Cb -0.05 -2.11 -0.03 0.00 1.10 0.00 0.00 33.01 31.92 1fwm s GLN 162 CO -0.05 0.09 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.54 1fwm s LEU 163 N 0.57 3.16 -0.36 3.68 2.96 -0.53 -0.27 118.68 127.89 1fwm s LEU 163 Ca -0.14 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.56 1fwm s LEU 163 Cb -0.17 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1fwm s LEU 163 CO 0.05 0.25 0.17 -0.47 -1.32 0.00 0.00 176.35 175.03 1fwm s TYR 164 N -0.13 3.24 -0.42 5.38 5.04 0.20 -1.42 117.35 129.23 1fwm s TYR 164 Ca 0.02 -1.05 -0.11 0.00 -2.44 0.00 0.00 57.07 53.48 1fwm s TYR 164 Cb -0.13 -2.38 0.06 0.00 0.35 0.00 0.00 41.96 39.86 1fwm s TYR 164 CO 0.03 -0.65 0.29 -1.14 -1.34 0.00 0.00 175.55 172.73 1fwm s GLN 165 N 1.52 2.76 0.34 4.97 0.74 0.56 -3.89 119.66 126.66 1fwm s GLN 165 Ca 0.01 -1.34 0.07 0.00 0.05 0.00 0.00 55.36 54.15 1fwm s GLN 165 Cb -0.19 -3.87 0.63 0.00 1.10 0.00 0.00 33.01 30.68 1fwm s GLN 165 CO 0.05 -0.92 1.84 -0.56 -0.55 0.00 0.00 175.29 175.15 1fwm h GLN 166 N 8.52 0.33 -3.69 1.67 3.07 -1.79 0.10 115.11 123.31 1fwm h GLN 166 Ca -0.25 -0.09 -0.44 0.00 0.09 0.00 0.00 58.65 57.96 1fwm h GLN 166 Cb 1.10 -0.03 -0.38 0.00 0.08 0.00 0.00 27.48 28.24 1fwm h GLN 166 CO 0.77 0.50 -0.77 0.45 0.09 0.00 0.00 178.83 179.88 1fwm s SER 167 N -6.84 1.57 -0.10 0.06 0.15 -1.22 -0.57 113.70 106.74 1fwm s SER 167 Ca -0.06 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1fwm s SER 167 Cb 0.15 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1fwm s SER 167 CO 0.75 -0.19 -0.06 0.00 1.20 0.00 0.00 173.24 174.94 1fwm s ASP 169 N 1.72 6.32 0.22 0.00 -1.08 -1.26 -1.52 116.67 121.07 1fwm s ASP 169 Ca 0.04 -0.23 -0.06 0.00 -0.52 0.00 0.00 52.55 51.77 1fwm s ASP 169 Cb -0.13 -2.52 0.19 0.00 -1.46 0.00 0.00 42.92 39.00 1fwm s ASP 169 CO -0.07 -1.52 1.71 0.58 0.52 0.00 0.00 175.17 176.39 1fwm h VAL 170 N 6.08 1.26 0.07 1.11 2.07 -1.30 -0.81 116.25 124.73 1fwm h VAL 170 Ca -0.26 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1fwm h VAL 170 Cb 1.06 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1fwm h VAL 170 CO 1.19 0.38 -0.04 0.15 0.02 0.00 0.00 177.57 179.28 1fwm h PHE 171 N 0.93 -0.09 0.00 1.57 3.57 -1.91 -3.33 116.94 117.68 1fwm h PHE 171 Ca 0.18 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1fwm h PHE 171 Cb 0.46 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1fwm h PHE 171 CO 0.03 0.47 -0.65 1.25 -2.23 0.00 0.00 178.31 177.18 1fwm h LEU 172 N -0.81 0.00 0.08 0.59 5.85 -1.97 -3.43 115.31 115.62 1fwm h LEU 172 Ca -0.01 -0.36 -0.28 0.00 0.84 0.00 0.00 57.88 58.07 1fwm h LEU 172 Cb 0.61 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.66 1fwm h LEU 172 CO 0.02 1.05 -1.21 1.23 -0.34 0.00 0.00 178.44 179.18 1fwm h GLY 173 N -1.00 0.54 0.84 3.75 0.00 -1.61 -3.39 103.07 102.21 1fwm h GLY 173 Ca -0.14 -1.17 0.03 0.00 0.00 0.00 0.00 47.33 46.05 1fwm h GLY 173 CO -0.08 1.03 0.35 -2.00 0.00 0.00 0.00 176.54 175.84 1fwm h LEU 174 N 0.20 0.56 -1.39 3.11 5.85 -1.28 -1.87 115.31 120.49 1fwm h LEU 174 Ca -0.16 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1fwm h LEU 174 Cb 1.89 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.78 1fwm h LEU 174 CO 0.22 0.39 0.43 -0.65 -0.34 0.00 0.00 178.44 178.49 1fwm h PRO 175 N 0.69 0.79 0.13 5.25 0.11 -1.78 -1.36 132.00 135.81 1fwm h PRO 175 Ca 0.24 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1fwm h PRO 175 Cb 0.05 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1fwm h PRO 175 CO -0.11 0.52 -0.06 0.74 -0.21 0.00 0.00 178.00 178.88 1fwm h PHE 176 N 0.81 -0.16 -0.78 0.65 -1.00 -1.57 -2.81 116.94 112.09 1fwm h PHE 176 Ca 0.25 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 1fwm h PHE 176 Cb 0.02 0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 1fwm h PHE 176 CO -0.00 0.12 0.43 -0.91 -1.61 0.00 0.00 178.31 176.34 1fwm h ASN 177 N -0.43 0.97 -0.14 2.17 -0.26 -1.07 -0.01 115.58 116.81 1fwm h ASN 177 Ca -0.02 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1fwm h ASN 177 Cb 0.35 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1fwm h ASN 177 CO 0.03 0.79 0.09 0.40 -1.06 0.00 0.00 177.43 177.67 1fwm h ILE 178 N 1.08 1.05 -0.55 2.81 1.08 -1.28 -2.12 117.51 119.57 1fwm h ILE 178 Ca 0.27 -0.10 -0.10 0.00 -0.39 0.00 0.00 64.86 64.53 1fwm h ILE 178 Cb 0.03 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 1fwm h ILE 178 CO -0.04 0.04 -0.07 0.00 -0.69 0.00 0.00 178.15 177.39 1fwm h ALA 179 N 1.03 0.84 0.44 1.87 0.00 -1.30 -2.21 119.26 119.93 1fwm h ALA 179 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1fwm h ALA 179 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1fwm h ALA 179 CO -0.01 0.66 -0.35 1.03 0.00 0.00 0.00 179.25 180.58 1fwm h SER 180 N 0.90 -0.92 -0.14 0.00 0.87 -0.78 -1.77 113.55 111.72 1fwm h SER 180 Ca 0.15 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1fwm h SER 180 Cb 0.62 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1fwm h SER 180 CO 0.04 -0.51 -0.13 1.88 -0.53 0.00 0.00 176.83 177.57 1fwm h TYR 181 N -0.78 0.54 -0.55 2.24 0.05 -1.41 -1.57 116.97 115.48 1fwm h TYR 181 Ca -0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1fwm h TYR 181 Cb 0.68 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1fwm h TYR 181 CO -0.16 0.62 0.30 0.00 -1.05 0.00 0.00 178.16 177.87 1fwm h ALA 182 N 1.40 1.49 -0.32 3.88 0.00 -1.26 0.39 119.26 124.84 1fwm h ALA 182 Ca 0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1fwm h ALA 182 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1fwm h ALA 182 CO 0.03 0.42 -0.45 1.25 0.00 0.00 0.00 179.25 180.51 1fwm h LEU 183 N 0.77 0.90 -0.88 0.00 5.85 -0.60 -2.52 115.31 118.83 1fwm h LEU 183 Ca 0.20 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1fwm h LEU 183 Cb 0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1fwm h LEU 183 CO -0.03 1.21 0.20 0.25 -0.34 0.00 0.00 178.44 179.73 1fwm h LEU 184 N 0.67 0.96 -0.70 2.25 5.85 -0.34 -1.86 115.31 122.13 1fwm h LEU 184 Ca 0.04 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1fwm h LEU 184 Cb 1.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1fwm h LEU 184 CO 0.10 0.90 0.34 0.58 -0.34 0.00 0.00 178.44 180.02 1fwm h VAL 185 N 0.99 1.23 -0.69 1.05 2.07 -0.78 0.74 116.25 120.85 1fwm h VAL 185 Ca 0.22 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1fwm h VAL 185 Cb 0.29 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1fwm h VAL 185 CO -0.01 0.27 0.15 0.45 0.02 0.00 0.00 177.57 178.45 1fwm h HIS 186 N 0.98 1.18 -0.44 1.57 3.86 -1.09 0.11 115.15 121.32 1fwm h HIS 186 Ca 0.24 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1fwm h HIS 186 Cb 0.11 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1fwm h HIS 186 CO 0.00 0.97 -0.04 0.52 0.86 0.00 0.00 177.93 180.24 1fwm h MET 187 N 1.05 0.80 0.12 2.45 2.07 -1.00 -0.60 114.93 119.82 1fwm h MET 187 Ca 0.22 -0.28 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1fwm h MET 187 Cb 0.39 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1fwm h MET 187 CO 0.01 0.89 -0.06 0.52 1.07 0.00 0.00 176.91 179.33 1fwm h MET 188 N 0.64 -0.16 -0.88 1.72 2.86 -0.70 -2.00 114.93 116.41 1fwm h MET 188 Ca 0.12 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1fwm h MET 188 Cb 0.55 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 1fwm h MET 188 CO 0.03 0.03 0.55 0.00 1.06 0.00 0.00 176.91 178.58 1fwm h ALA 189 N 0.54 1.22 -0.25 6.32 0.00 -0.92 -1.35 119.26 124.83 1fwm h ALA 189 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1fwm h ALA 189 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1fwm h ALA 189 CO 0.03 0.29 -0.26 0.37 0.00 0.00 0.00 179.25 179.68 1fwm h GLN 190 N 0.99 0.48 0.00 0.00 4.15 -0.96 0.11 115.11 119.88 1fwm h GLN 190 Ca 0.39 -0.18 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 1fwm h GLN 190 Cb 0.20 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1fwm h GLN 190 CO -0.18 0.70 -0.36 1.96 -1.93 0.00 0.00 178.83 179.02 1fwm h GLN 191 N 0.42 0.00 -0.45 1.69 1.08 -0.58 -3.16 115.11 114.11 1fwm h GLN 191 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1fwm h GLN 191 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1fwm h GLN 191 CO 0.05 0.36 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 1fwm n ASP 193 N 1.01 -3.80 -4.58 0.00 8.00 -0.39 -5.00 116.55 111.80 1fwm n ASP 193 Ca 0.16 -0.72 -0.24 0.00 0.71 0.00 0.00 54.79 54.70 1fwm n ASP 193 Cb 0.50 -4.31 -0.09 0.00 -0.02 0.00 0.00 41.12 37.20 1fwm n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fwm s LEU 194 N -7.02 2.88 0.40 0.64 1.43 0.26 -5.04 118.68 112.24 1fwm s LEU 194 Ca 0.39 -0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1fwm s LEU 194 Cb -0.19 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1fwm s LEU 194 CO 0.79 -0.12 0.66 -1.61 0.23 0.00 0.00 176.35 176.30 1fwm s GLU 195 N -3.64 3.53 0.22 1.70 0.41 -0.38 -4.36 118.70 116.18 1fwm s GLU 195 Ca 0.33 -0.04 -0.25 0.00 -0.41 0.00 0.00 54.97 54.59 1fwm s GLU 195 Cb -0.02 -2.52 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 1fwm s GLU 195 CO 0.18 -0.01 0.83 0.14 -0.49 0.00 0.00 175.26 175.91 1fwm s VAL 196 N -2.49 4.31 0.00 2.63 -7.23 -1.26 0.07 120.40 116.43 1fwm s VAL 196 Ca 0.44 1.73 0.00 0.00 -1.81 0.00 0.00 61.98 62.34 1fwm s VAL 196 Cb -0.10 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.74 1fwm s VAL 196 CO 0.39 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 176.18 1fwm n GLY 197 N 1.22 1.19 3.81 2.32 0.00 0.15 -4.64 105.19 109.24 1fwm n GLY 197 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1fwm n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fwm s ASP 198 N 0.11 5.59 -0.23 1.61 1.01 -1.26 -1.40 116.67 122.10 1fwm s ASP 198 Ca 0.00 -0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.15 1fwm s ASP 198 Cb 0.00 -1.48 0.01 0.00 1.01 0.00 0.00 42.92 42.46 1fwm s ASP 198 CO 0.00 0.08 -0.08 0.12 0.21 0.00 0.00 175.17 175.50 1fwm s PHE 199 N -1.71 2.99 -0.21 4.23 5.36 0.52 -1.53 117.98 127.63 1fwm s PHE 199 Ca 0.31 -1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 54.84 1fwm s PHE 199 Cb -0.10 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1fwm s PHE 199 CO 0.24 -0.69 0.04 0.08 -1.46 0.00 0.00 175.22 173.43 1fwm s VAL 200 N 1.37 4.31 -0.22 3.12 1.01 0.71 -0.51 120.40 130.18 1fwm s VAL 200 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 1fwm s VAL 200 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1fwm s VAL 200 CO -0.05 0.40 0.02 0.86 0.00 0.00 0.00 175.10 176.32 1fwm s TRP 201 N 1.06 3.04 -0.09 5.22 -0.00 0.88 -1.45 118.94 127.60 1fwm s TRP 201 Ca 0.03 -0.55 0.04 0.00 -0.00 0.00 0.00 56.10 55.63 1fwm s TRP 201 Cb -0.14 -2.15 -0.01 0.00 -0.00 0.00 0.00 33.47 31.18 1fwm s TRP 201 CO 0.03 -0.35 -0.23 0.99 -0.00 0.00 0.00 176.95 177.38 1fwm s THR 202 N 1.33 2.18 0.14 5.86 2.01 -0.51 -0.82 115.64 125.82 1fwm s THR 202 Ca 0.04 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.15 1fwm s THR 202 Cb -0.15 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1fwm s THR 202 CO 0.01 0.56 -0.23 -0.83 -0.69 0.00 0.00 174.62 173.44 1fwm s GLY 203 N 0.16 1.64 0.00 4.40 0.00 0.34 -0.32 107.32 113.54 1fwm s GLY 203 Ca -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1fwm s GLY 203 CO 0.07 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 172.33 1fwm n GLY 204 N 0.75 0.33 3.55 0.20 0.00 0.36 -2.60 105.19 107.78 1fwm n GLY 204 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1fwm n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fwm s ASP 205 N -1.00 5.73 -0.35 1.61 -1.08 0.27 -2.03 116.67 119.81 1fwm s ASP 205 Ca 0.00 -0.33 -0.13 0.00 -0.52 0.00 0.00 52.55 51.57 1fwm s ASP 205 Cb 0.00 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1fwm s ASP 205 CO 0.00 -2.12 0.25 -0.89 0.52 0.00 0.00 175.17 172.92 1fwm s THR 206 N 7.49 5.24 0.24 1.71 2.01 -0.34 -1.39 115.64 130.60 1fwm s THR 206 Ca 0.53 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1fwm s THR 206 Cb -0.08 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1fwm s THR 206 CO 0.11 -0.07 0.06 -1.38 -0.69 0.00 0.00 174.62 172.65 1fwm s HIS 207 N 1.71 1.48 -0.09 4.92 -3.43 -0.58 -1.16 115.29 118.14 1fwm s HIS 207 Ca 0.06 -1.10 0.01 0.00 -0.80 0.00 0.00 55.06 53.23 1fwm s HIS 207 Cb -0.18 -0.87 0.02 0.00 -1.43 0.00 0.00 32.58 30.13 1fwm s HIS 207 CO 0.10 -0.25 -0.10 -1.17 -2.00 0.00 0.00 174.74 171.33 1fwm s LEU 208 N -3.29 1.39 0.42 5.38 2.96 -0.35 -0.68 118.68 124.52 1fwm s LEU 208 Ca 0.33 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.70 1fwm s LEU 208 Cb 0.07 -0.83 -0.08 0.00 0.50 0.00 0.00 46.19 45.85 1fwm s LEU 208 CO 0.11 -0.05 1.11 -0.31 -1.32 0.00 0.00 176.35 175.89 1fwm s TYR 209 N 1.26 3.08 0.35 5.38 2.02 -1.26 -0.45 117.35 127.72 1fwm s TYR 209 Ca -0.03 1.59 0.10 0.00 -0.37 0.00 0.00 57.07 58.36 1fwm s TYR 209 Cb -0.14 -3.27 0.87 0.00 -0.40 0.00 0.00 41.96 39.02 1fwm s TYR 209 CO -0.03 -1.09 1.81 0.77 -1.57 0.00 0.00 175.55 175.44 1fwm h SER 210 N 2.32 0.64 -0.36 2.29 0.02 -1.36 -1.08 113.55 116.03 1fwm h SER 210 Ca -0.49 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.38 1fwm h SER 210 Cb 1.23 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.64 1fwm h SER 210 CO 0.61 0.24 0.19 -0.46 -1.14 0.00 0.00 176.83 176.28 1fwm n ASN 211 N -4.66 3.20 0.00 3.07 0.23 -1.26 -3.34 115.26 112.50 1fwm n ASN 211 Ca 0.22 -2.58 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 1fwm n ASN 211 Cb 0.62 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1fwm n ASN 211 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1fwm n HIS 212 N -0.05 0.00 -0.09 -2.53 8.25 -0.41 -4.72 115.22 115.67 1fwm n HIS 212 Ca 0.21 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.60 1fwm n HIS 212 Cb 0.88 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.00 1fwm n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1fwm h MET 213 N 0.00 0.16 -0.48 -0.41 2.86 -1.64 0.19 114.93 115.60 1fwm h MET 213 Ca 0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1fwm h MET 213 Cb 0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1fwm h MET 213 CO 0.00 0.10 0.11 -0.44 1.06 0.00 0.00 176.91 177.75 1fwm h ASP 214 N 0.16 0.73 -0.49 1.22 3.32 -1.88 -1.29 116.42 118.19 1fwm h ASP 214 Ca 0.15 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1fwm h ASP 214 Cb 0.17 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1fwm h ASP 214 CO -0.21 0.77 0.20 1.56 -1.72 0.00 0.00 179.24 179.84 1fwm h GLN 215 N 0.65 0.78 -0.30 3.56 7.50 -1.83 0.01 115.11 125.47 1fwm h GLN 215 Ca 0.15 -0.12 -0.04 0.00 0.50 0.00 0.00 58.65 59.14 1fwm h GLN 215 Cb 0.33 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 1fwm h GLN 215 CO 0.00 0.65 0.03 1.15 -1.50 0.00 0.00 178.83 179.17 1fwm h THR 216 N 0.77 1.24 -0.33 -0.54 2.02 -0.17 -1.03 112.91 114.87 1fwm h THR 216 Ca 0.18 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.39 1fwm h THR 216 Cb 0.18 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1fwm h THR 216 CO -0.01 0.28 -0.29 0.45 0.37 0.00 0.00 175.52 176.32 1fwm h HIS 217 N 0.33 0.78 -0.09 3.16 3.86 -0.94 0.71 115.15 122.96 1fwm h HIS 217 Ca 0.09 -0.19 0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1fwm h HIS 217 Cb 0.38 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1fwm h HIS 217 CO 0.03 0.89 -0.01 1.25 0.86 0.00 0.00 177.93 180.95 1fwm h LEU 218 N 0.58 -0.05 -0.67 2.43 5.85 -0.84 -2.23 115.31 120.39 1fwm h LEU 218 Ca 0.07 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1fwm h LEU 218 Cb 0.78 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1fwm h LEU 218 CO 0.06 -0.01 0.18 -0.61 -0.34 0.00 0.00 178.44 177.72 1fwm h GLN 219 N 0.02 1.06 0.00 1.25 4.15 -0.87 -2.49 115.11 118.24 1fwm h GLN 219 Ca 0.04 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1fwm h GLN 219 Cb 0.05 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1fwm h GLN 219 CO -0.08 0.94 0.00 -0.07 -1.93 0.00 0.00 178.83 177.69 1fwm h LEU 220 N 0.99 0.00 -0.22 -2.39 -0.00 -0.46 -1.02 115.31 112.21 1fwm h LEU 220 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1fwm h LEU 220 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1fwm h LEU 220 CO -0.00 0.00 -0.11 -1.54 -0.00 0.00 0.00 178.44 176.79 1fwm n SER 221 N -2.80 0.45 -4.91 -0.43 3.41 -0.87 -4.89 113.62 103.57 1fwm n SER 221 Ca -0.02 -0.55 -0.30 0.00 -0.26 0.00 0.00 58.87 57.74 1fwm n SER 221 Cb 0.09 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1fwm n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1fwm s ARG 222 N -2.48 3.54 -0.29 4.33 0.52 -0.39 -5.08 118.95 119.10 1fwm s ARG 222 Ca 0.29 -0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 55.05 1fwm s ARG 222 Cb 0.20 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1fwm s ARG 222 CO 0.48 0.49 0.54 -1.21 0.02 0.00 0.00 175.30 175.61 1fwm s GLU 223 N -2.80 3.95 0.42 3.54 0.41 -1.26 -5.03 118.70 117.93 1fwm s GLU 223 Ca 0.39 0.22 -0.26 0.00 -0.41 0.00 0.00 54.97 54.90 1fwm s GLU 223 Cb -0.12 -3.70 -0.10 0.00 -1.78 0.00 0.00 34.13 28.44 1fwm s GLU 223 CO 0.27 -0.45 1.43 -0.35 -0.49 0.00 0.00 175.26 175.67 1fwm n PRO 224 N 5.65 2.38 -2.99 0.39 -0.04 -1.26 -4.87 135.00 134.26 1fwm n PRO 224 Ca -0.04 0.84 -0.19 0.00 -0.04 0.00 0.00 63.50 64.08 1fwm n PRO 224 Cb 0.49 -2.61 0.04 0.00 -0.04 0.00 0.00 33.50 31.38 1fwm n PRO 224 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1fwm s ARG 225 N -2.28 2.51 0.31 0.54 0.52 -1.26 -5.05 118.95 114.24 1fwm s ARG 225 Ca 0.58 -1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 1fwm s ARG 225 Cb -0.47 -2.67 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 1fwm s ARG 225 CO 0.60 -0.63 1.47 -1.25 0.02 0.00 0.00 175.30 175.51 1fwm s PRO 226 N -4.56 4.20 0.33 3.54 0.04 -1.26 -4.91 135.00 132.38 1fwm s PRO 226 Ca 0.59 2.43 -0.29 0.00 0.04 0.00 0.00 61.00 63.77 1fwm s PRO 226 Cb -0.08 -3.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.31 1fwm s PRO 226 CO 0.37 -0.46 1.54 1.28 0.04 0.00 0.00 177.00 179.76 1fwm n LEU 227 N 1.49 4.46 -4.65 -3.56 4.32 -1.26 -4.81 117.00 112.99 1fwm n LEU 227 Ca 0.04 1.18 -0.30 0.00 -0.02 0.00 0.00 56.01 56.91 1fwm n LEU 227 Cb 0.39 -1.60 0.22 0.00 -1.62 0.00 0.00 43.42 40.82 1fwm n LEU 227 CO 0.62 0.11 0.66 -2.16 -1.22 0.00 0.00 177.39 175.41 1fwm s PRO 228 N -1.16 -0.78 -0.04 3.23 0.04 -1.25 -4.71 135.00 130.33 1fwm s PRO 228 Ca 0.60 -0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.63 1fwm s PRO 228 Cb -0.49 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1fwm s PRO 228 CO 0.55 -3.42 -0.24 0.15 0.04 0.00 0.00 177.00 174.08 1fwm s LYS 229 N -5.44 2.22 -0.25 4.56 -0.14 0.48 -0.77 119.74 120.41 1fwm s LYS 229 Ca 0.71 -0.87 -0.10 0.00 -1.36 0.00 0.00 55.97 54.34 1fwm s LYS 229 Cb -0.10 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 1fwm s LYS 229 CO 0.56 0.44 0.16 -1.17 -0.76 0.00 0.00 175.35 174.58 1fwm s LEU 230 N -0.35 4.00 -0.16 3.17 0.20 -1.26 -0.23 118.68 124.05 1fwm s LEU 230 Ca 0.03 0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.89 1fwm s LEU 230 Cb -0.11 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.56 1fwm s LEU 230 CO 0.01 0.02 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.31 1fwm s ILE 231 N 1.31 2.59 -0.30 6.68 1.09 0.20 -4.98 121.20 127.79 1fwm s ILE 231 Ca 0.07 -0.79 -0.09 0.00 -1.10 0.00 0.00 60.65 58.74 1fwm s ILE 231 Cb -0.14 -2.10 -0.01 0.00 -1.06 0.00 0.00 42.46 39.15 1fwm s ILE 231 CO 0.06 0.51 0.14 -0.63 -0.10 0.00 0.00 174.94 174.93 1fwm s ILE 232 N 0.92 4.58 -2.10 2.92 1.01 -1.26 -0.54 121.20 126.73 1fwm s ILE 232 Ca -0.03 -0.37 0.17 0.00 0.00 0.00 0.00 60.65 60.42 1fwm s ILE 232 Cb -0.15 -3.30 0.43 0.00 0.01 0.00 0.00 42.46 39.44 1fwm s ILE 232 CO -0.02 0.11 1.54 0.29 0.00 0.00 0.00 174.94 176.86 1fwm n LYS 233 N 4.97 1.34 -3.48 2.79 5.02 -0.37 -4.90 118.16 123.54 1fwm n LYS 233 Ca -0.14 -0.52 -0.15 0.00 -2.02 0.00 0.00 58.31 55.47 1fwm n LYS 233 Cb 0.49 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 1fwm n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1fwm s ARG 234 N -1.88 1.15 -0.49 1.97 3.52 -1.26 -5.09 118.95 116.87 1fwm s ARG 234 Ca 0.26 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 1fwm s ARG 234 Cb 0.13 0.53 0.13 0.00 -1.56 0.00 0.00 34.95 34.18 1fwm s ARG 234 CO 0.21 -0.42 0.24 0.21 -0.81 0.00 0.00 175.30 174.72 1fwm s LYS 235 N -2.25 1.98 0.95 5.12 2.20 -1.26 -5.10 119.74 121.37 1fwm s LYS 235 Ca -0.06 -2.38 -0.11 0.00 -0.36 0.00 0.00 55.97 53.06 1fwm s LYS 235 Cb -0.00 -3.39 0.16 0.00 -1.51 0.00 0.00 37.83 33.09 1fwm s LYS 235 CO 0.00 -1.08 1.12 -2.14 -0.36 0.00 0.00 175.35 172.90 1fwm s PRO 236 N 0.12 0.76 0.38 4.03 0.02 -1.26 -4.92 135.00 134.12 1fwm s PRO 236 Ca 0.15 1.40 0.10 0.00 0.02 0.00 0.00 61.00 62.66 1fwm s PRO 236 Cb -0.23 -1.71 0.77 0.00 0.02 0.00 0.00 34.50 33.35 1fwm s PRO 236 CO -0.03 -2.76 1.90 0.93 -0.33 0.00 0.00 177.00 176.71 1fwm h GLU 237 N -1.96 0.23 -4.41 5.54 4.39 -1.99 -3.45 114.58 112.93 1fwm h GLU 237 Ca -0.46 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 58.98 1fwm h GLU 237 Cb 1.28 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.75 1fwm h GLU 237 CO 0.44 0.38 -0.57 -1.54 -1.16 0.00 0.00 179.01 176.57 1fwm s SER 238 N -6.88 0.17 0.56 1.42 1.04 -1.26 -5.02 113.70 103.73 1fwm s SER 238 Ca -0.05 -1.25 0.37 0.00 0.48 0.00 0.00 55.95 55.49 1fwm s SER 238 Cb 0.15 0.37 1.76 0.00 0.10 0.00 0.00 66.02 68.41 1fwm s SER 238 CO 0.73 -0.83 2.10 -0.29 0.98 0.00 0.00 173.24 175.93 1fwm h ILE 239 N 2.66 0.00 -0.24 -1.02 6.09 -1.94 -2.53 117.51 120.54 1fwm h ILE 239 Ca -0.35 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1fwm h ILE 239 Cb 1.23 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.70 1fwm h ILE 239 CO 0.53 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 176.10 1fwm n PHE 240 N -2.95 0.31 -0.36 2.19 3.72 -1.26 -4.28 117.46 114.83 1fwm n PHE 240 Ca -0.01 -0.16 0.06 0.00 -0.05 0.00 0.00 57.45 57.29 1fwm n PHE 240 Cb 0.18 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.88 1fwm n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1fwm n ASP 241 N 0.65 3.01 -4.77 4.37 8.00 -0.95 -5.00 116.55 121.86 1fwm n ASP 241 Ca 0.17 -2.25 -0.34 0.00 0.71 0.00 0.00 54.79 53.07 1fwm n ASP 241 Cb 0.40 -0.28 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1fwm n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1fwm s TYR 242 N -1.45 2.66 0.15 1.24 1.51 -1.26 -4.90 117.35 115.30 1fwm s TYR 242 Ca 0.25 1.55 0.07 0.00 -1.01 0.00 0.00 57.07 57.93 1fwm s TYR 242 Cb 0.16 -3.25 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 1fwm s TYR 242 CO 0.12 -1.59 -0.16 1.03 -1.11 0.00 0.00 175.55 173.84 1fwm s ARG 243 N -3.53 1.16 0.24 -0.62 0.52 -1.26 -5.04 118.95 110.43 1fwm s ARG 243 Ca 0.71 -1.35 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1fwm s ARG 243 Cb -0.23 -1.11 0.44 0.00 0.52 0.00 0.00 34.95 34.58 1fwm s ARG 243 CO 0.31 0.21 1.73 0.35 0.02 0.00 0.00 175.30 177.92 1fwm h PHE 244 N 3.30 0.47 0.00 -0.53 3.57 -1.97 -0.80 116.94 120.99 1fwm h PHE 244 Ca -0.41 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1fwm h PHE 244 Cb 1.20 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1fwm h PHE 244 CO 0.67 0.05 0.00 -0.85 -2.23 0.00 0.00 178.31 175.95 1fwm n GLU 245 N -5.02 0.18 0.13 1.11 0.00 -1.26 -2.39 120.64 113.39 1fwm n GLU 245 Ca 0.14 0.16 0.13 0.00 0.00 0.00 0.00 57.16 57.59 1fwm n GLU 245 Cb 0.40 -1.50 0.42 0.00 0.00 0.00 0.00 31.44 30.76 1fwm n GLU 245 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1fwm h ASP 246 N 0.00 0.00 -2.94 -1.84 3.32 -1.54 -3.45 116.42 109.97 1fwm h ASP 246 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1fwm h ASP 246 Cb 0.14 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.59 1fwm h ASP 246 CO 0.00 0.00 -0.52 -0.36 -1.72 0.00 0.00 179.24 176.64 1fwm s PHE 247 N -3.19 3.44 -0.08 4.55 0.08 -1.01 -1.23 117.98 120.54 1fwm s PHE 247 Ca 0.08 0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.51 1fwm s PHE 247 Cb 0.11 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 1fwm s PHE 247 CO 0.55 0.56 -0.04 -2.00 -0.10 0.00 0.00 175.22 174.18 1fwm s GLU 248 N -0.68 1.04 -0.24 0.44 2.56 0.30 -5.00 118.70 117.12 1fwm s GLU 248 Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.97 54.91 1fwm s GLU 248 Cb -0.12 -1.17 -0.04 0.00 2.00 0.00 0.00 34.13 34.80 1fwm s GLU 248 CO 0.02 -0.21 0.10 0.42 -0.56 0.00 0.00 175.26 175.03 1fwm s ILE 249 N 1.54 4.66 0.02 -3.70 -1.09 -1.26 0.61 121.20 121.98 1fwm s ILE 249 Ca -0.00 -0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.41 1fwm s ILE 249 Cb -0.13 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1fwm s ILE 249 CO -0.04 0.35 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.29 1fwm s GLU 250 N 1.33 2.34 -0.91 2.79 0.41 0.68 -4.70 118.70 120.64 1fwm s GLU 250 Ca 0.06 -0.84 -0.00 0.00 -0.41 0.00 0.00 54.97 53.77 1fwm s GLU 250 Cb -0.15 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1fwm s GLU 250 CO 0.05 0.57 0.04 0.41 -0.49 0.00 0.00 175.26 175.84 1fwm n GLY 251 N 1.57 -0.06 3.39 -1.39 0.00 -1.26 -0.38 105.19 107.05 1fwm n GLY 251 Ca -0.16 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1fwm n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fwm s TYR 252 N -2.58 2.93 -0.64 1.61 5.04 -1.26 -4.31 117.35 118.14 1fwm s TYR 252 Ca 0.02 -0.86 0.05 0.00 -2.44 0.00 0.00 57.07 53.85 1fwm s TYR 252 Cb -0.01 -4.05 0.20 0.00 0.35 0.00 0.00 41.96 38.46 1fwm s TYR 252 CO 0.02 -1.35 0.58 -3.47 -1.34 0.00 0.00 175.55 169.99 1fwm n ASP 253 N 6.60 2.88 -4.90 4.32 2.03 -1.26 -5.10 116.55 121.12 1fwm n ASP 253 Ca -0.08 -3.21 -0.29 0.00 0.52 0.00 0.00 54.79 51.73 1fwm n ASP 253 Cb 0.43 -0.70 0.07 0.00 -0.72 0.00 0.00 41.12 40.19 1fwm n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1fwm s PRO 254 N -1.72 2.38 0.87 -0.67 0.04 -1.26 -4.92 135.00 129.72 1fwm s PRO 254 Ca 0.32 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.44 1fwm s PRO 254 Cb 0.05 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1fwm s PRO 254 CO -0.11 -1.30 1.14 -1.01 0.04 0.00 0.00 177.00 175.76 1fwm s HIS 255 N -3.43 2.66 0.75 0.56 3.76 0.36 -4.86 115.29 115.09 1fwm s HIS 255 Ca 0.60 0.88 -0.14 0.00 -0.15 0.00 0.00 55.06 56.25 1fwm s HIS 255 Cb -0.11 -3.36 0.05 0.00 1.11 0.00 0.00 32.58 30.27 1fwm s HIS 255 CO 0.49 -2.14 1.21 -2.14 -0.85 0.00 0.00 174.74 171.31 1fwm s PRO 256 N -5.31 1.99 0.83 8.40 0.02 -1.26 -2.04 135.00 137.62 1fwm s PRO 256 Ca 0.63 1.75 -0.10 0.00 0.02 0.00 0.00 61.00 63.30 1fwm s PRO 256 Cb -0.14 -1.82 0.09 0.00 0.02 0.00 0.00 34.50 32.66 1fwm s PRO 256 CO 0.53 -1.94 1.11 0.20 -0.33 0.00 0.00 177.00 176.57 1fwm s GLY 257 N -2.09 1.68 -0.17 0.52 0.00 -1.26 -3.65 107.32 102.35 1fwm s GLY 257 Ca 0.74 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 1fwm s GLY 257 CO 0.47 0.77 0.00 -0.42 0.00 0.00 0.00 173.10 173.93 1fwm s ILE 258 N -2.80 0.71 0.31 0.90 1.01 -1.26 -4.87 121.20 115.20 1fwm s ILE 258 Ca 0.63 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 1fwm s ILE 258 Cb -0.19 -1.07 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 1fwm s ILE 258 CO 0.57 -0.05 0.94 -0.54 0.00 0.00 0.00 174.94 175.86 1fwm s LYS 259 N 1.79 4.62 -0.06 2.79 -0.14 -1.26 -5.06 119.74 122.41 1fwm s LYS 259 Ca -0.00 1.34 -0.20 0.00 -1.36 0.00 0.00 55.97 55.75 1fwm s LYS 259 Cb -0.16 -2.88 0.04 0.00 -1.68 0.00 0.00 37.83 33.15 1fwm s LYS 259 CO -0.07 0.32 0.47 0.00 -0.76 0.00 0.00 175.35 175.31 1fwm s ALA 260 N -1.54 -1.19 0.40 5.17 0.00 -1.26 -4.98 121.76 118.36 1fwm s ALA 260 Ca 0.48 0.87 -0.24 0.00 0.00 0.00 0.00 51.96 53.07 1fwm s ALA 260 Cb -0.20 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1fwm s ALA 260 CO 0.25 -0.29 1.04 -1.25 0.00 0.00 0.00 175.76 175.51 1fwm s PRO 261 N -0.94 4.18 -0.08 0.00 0.04 -1.26 -5.05 135.00 131.89 1fwm s PRO 261 Ca -0.10 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 1fwm s PRO 261 Cb -0.03 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1fwm s PRO 261 CO 0.05 -0.12 0.49 0.08 0.04 0.00 0.00 177.00 177.54 1fwm s VAL 262 N -1.69 5.11 -0.53 -0.36 1.01 -1.26 -5.01 120.40 117.67 1fwm s VAL 262 Ca 0.58 0.99 -0.23 0.00 0.00 0.00 0.00 61.98 63.32 1fwm s VAL 262 Cb -0.21 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1fwm s VAL 262 CO 0.26 0.38 0.88 0.00 0.00 0.00 0.00 175.10 176.63 1fwm s ALA 263 N 0.19 3.21 -2.00 5.51 0.00 -1.26 -5.23 121.76 122.18 1fwm s ALA 263 Ca 0.27 -1.25 0.26 0.00 0.00 0.00 0.00 51.96 51.24 1fwm s ALA 263 Cb -0.16 -3.65 1.55 0.00 0.00 0.00 0.00 23.12 20.87 1fwm s ALA 263 CO 0.12 -2.26 1.91 -0.89 0.00 0.00 0.00 175.76 174.64