#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4i s GLU 6 N 0.00 2.55 0.04 -0.14 2.02 -1.26 -5.06 118.70 116.85 3f4i s GLU 6 Ca 0.00 1.60 0.01 0.00 0.02 0.00 0.00 54.97 56.60 3f4i s GLU 6 Cb 0.00 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 3f4i s GLU 6 CO 0.00 -1.48 -0.06 -1.01 0.02 0.00 0.00 175.26 172.73 3f4i s HIS 7 N -2.09 0.52 0.35 1.61 3.76 -1.26 -4.67 115.29 113.51 3f4i s HIS 7 Ca 0.71 -0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 54.80 3f4i s HIS 7 Cb -0.25 -0.32 -0.11 0.00 1.11 0.00 0.00 32.58 33.00 3f4i s HIS 7 CO 0.41 -0.13 1.49 0.91 -0.85 0.00 0.00 174.74 176.57 3f4i n TRP 8 N 1.45 2.87 -0.03 1.40 7.02 -0.96 -4.49 117.44 124.70 3f4i n TRP 8 Ca -0.23 0.42 -0.15 0.00 -1.02 0.00 0.00 57.50 56.52 3f4i n TRP 8 Cb 0.55 -2.53 -0.12 0.00 -2.42 0.00 0.00 31.31 26.79 3f4i n TRP 8 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3f4i h ALA 9 N 3.32 0.01 -2.26 6.99 0.00 -1.93 -3.48 119.26 121.91 3f4i h ALA 9 Ca -0.49 -0.49 -0.45 0.00 0.00 0.00 0.00 54.91 53.49 3f4i h ALA 9 Cb 1.24 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 3f4i h ALA 9 CO 0.67 0.07 -0.74 0.95 0.00 0.00 0.00 179.25 180.21 3f4i s THR 10 N -2.86 1.71 0.19 0.00 -4.23 -1.26 -5.05 115.64 104.14 3f4i s THR 10 Ca -0.17 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.08 3f4i s THR 10 Cb -0.00 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 71.88 3f4i s THR 10 CO 0.73 -0.59 1.64 -0.09 -0.54 0.00 0.00 174.62 175.77 3f4i h ARG 11 N 2.61 1.01 -0.46 3.99 2.43 -1.99 -1.59 114.38 120.38 3f4i h ARG 11 Ca -0.38 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.42 3f4i h ARG 11 Cb 1.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3f4i h ARG 11 CO 0.61 1.03 0.19 1.25 -1.51 0.00 0.00 179.97 181.54 3f4i h LEU 12 N 0.91 0.64 -0.47 3.80 5.85 -1.99 -1.37 115.31 122.68 3f4i h LEU 12 Ca 0.15 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3f4i h LEU 12 Cb 0.61 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3f4i h LEU 12 CO 0.04 0.63 0.30 1.23 -0.34 0.00 0.00 178.44 180.30 3f4i h GLY 13 N 0.61 0.66 0.57 3.75 0.00 -1.89 -0.42 103.07 106.35 3f4i h GLY 13 Ca 0.15 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.31 3f4i h GLY 13 CO -0.01 0.22 0.12 -2.00 0.00 0.00 0.00 176.54 174.86 3f4i h LEU 14 N 0.61 0.09 -0.36 3.11 5.85 -1.08 -0.62 115.31 122.91 3f4i h LEU 14 Ca 0.18 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3f4i h LEU 14 Cb -0.05 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3f4i h LEU 14 CO -0.05 0.08 0.08 0.40 -0.34 0.00 0.00 178.44 178.62 3f4i h ILE 15 N 0.26 1.23 -0.05 4.05 1.08 -0.80 -1.19 117.51 122.09 3f4i h ILE 15 Ca 0.19 -0.77 -0.12 0.00 -0.39 0.00 0.00 64.86 63.78 3f4i h ILE 15 Cb 0.21 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 3f4i h ILE 15 CO -0.22 0.26 -0.50 -0.07 -0.69 0.00 0.00 178.15 176.93 3f4i h LEU 16 N 0.43 0.13 -0.18 1.44 3.38 -0.96 0.98 115.31 120.53 3f4i h LEU 16 Ca 0.11 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3f4i h LEU 16 Cb 0.31 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3f4i h LEU 16 CO 0.00 0.61 -0.09 0.00 0.09 0.00 0.00 178.44 179.06 3f4i h ALA 17 N 1.39 0.25 -0.71 1.53 0.00 -0.96 0.11 119.26 120.87 3f4i h ALA 17 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3f4i h ALA 17 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3f4i h ALA 17 CO 0.07 0.07 0.17 0.52 0.00 0.00 0.00 179.25 180.08 3f4i h MET 18 N 0.05 1.15 -0.72 0.00 2.86 -1.10 0.42 114.93 117.58 3f4i h MET 18 Ca 0.04 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.35 3f4i h MET 18 Cb 0.57 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3f4i h MET 18 CO 0.03 1.01 0.23 0.00 1.06 0.00 0.00 176.91 179.24 3f4i h ALA 19 N 1.09 1.06 -0.25 6.32 0.00 -0.77 -1.52 119.26 125.18 3f4i h ALA 19 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3f4i h ALA 19 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3f4i h ALA 19 CO 0.00 0.64 -0.27 0.78 0.00 0.00 0.00 179.25 180.40 3f4i h GLY 20 N 1.10 0.54 0.51 0.00 0.00 -0.27 0.36 103.07 105.31 3f4i h GLY 20 Ca 0.23 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.15 3f4i h GLY 20 CO -0.01 0.41 -0.15 -0.57 0.00 0.00 0.00 176.54 176.23 3f4i h ASN 21 N 0.43 -0.45 0.30 0.19 -0.73 0.51 -3.26 115.58 112.59 3f4i h ASN 21 Ca 0.06 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 3f4i h ASN 21 Cb 0.71 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.51 3f4i h ASN 21 CO 0.05 -0.19 -0.15 0.00 -0.37 0.00 0.00 177.43 176.78 3f4i h ALA 22 N 0.85 -0.47 -1.50 1.57 0.00 -0.97 -3.42 119.26 115.32 3f4i h ALA 22 Ca 0.08 -0.09 -0.44 0.00 0.00 0.00 0.00 54.91 54.46 3f4i h ALA 22 Cb 0.31 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3f4i h ALA 22 CO -0.22 -0.44 1.47 0.08 0.00 0.00 0.00 179.25 180.14 3f4i s VAL 23 N -2.90 3.09 0.00 0.00 1.01 0.13 -4.81 120.40 116.91 3f4i s VAL 23 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3f4i s VAL 23 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3f4i s VAL 23 CO 0.18 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3f4i n GLY 24 N 6.00 5.40 0.39 4.51 0.00 -1.26 -4.76 105.19 115.47 3f4i n GLY 24 Ca 0.34 -1.35 0.21 0.00 0.00 0.00 0.00 46.02 45.22 3f4i n GLY 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f4i h LEU 25 N 0.00 0.00 -1.51 0.99 3.38 -1.86 -0.83 115.31 115.47 3f4i h LEU 25 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f4i h LEU 25 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3f4i h LEU 25 CO 0.00 0.00 0.33 1.23 0.09 0.00 0.00 178.44 180.09 3f4i h GLY 26 N 0.00 0.69 1.15 0.83 0.00 -1.93 0.21 103.07 104.03 3f4i h GLY 26 Ca 0.24 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 3f4i h GLY 26 CO -0.00 0.25 -0.73 3.43 0.00 0.00 0.00 176.54 179.50 3f4i h ASN 27 N 0.67 0.94 0.00 0.19 4.21 -1.48 0.54 115.58 120.65 3f4i h ASN 27 Ca 0.18 -0.61 -0.08 0.00 1.21 0.00 0.00 56.30 57.00 3f4i h ASN 27 Cb -0.08 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.83 3f4i h ASN 27 CO -0.04 1.40 -1.98 0.49 -1.29 0.00 0.00 177.43 176.01 3f4i n PHE 28 N -3.97 0.00 -0.07 1.19 3.72 -1.11 -4.28 117.46 112.94 3f4i n PHE 28 Ca -0.07 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.18 3f4i n PHE 28 Cb 0.72 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 3f4i n PHE 28 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3f4i n LEU 29 N -2.30 1.02 -0.04 4.37 4.77 0.71 -4.70 117.00 120.82 3f4i n LEU 29 Ca -0.10 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 3f4i n LEU 29 Cb 0.65 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.20 3f4i n LEU 29 CO 0.41 0.29 0.49 -0.09 -1.33 0.00 0.00 177.39 177.16 3f4i h ARG 30 N -0.52 0.02 -0.30 3.23 2.43 -1.42 -3.29 114.38 114.53 3f4i h ARG 30 Ca -0.36 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 3f4i h ARG 30 Cb 1.31 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 3f4i h ARG 30 CO -0.22 0.79 -0.05 0.35 -1.51 0.00 0.00 179.97 179.33 3f4i h PHE 31 N -0.74 -0.10 -0.95 2.20 3.57 -1.07 -1.25 116.94 118.60 3f4i h PHE 31 Ca -0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3f4i h PHE 31 Cb 0.79 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3f4i h PHE 31 CO 0.19 -0.10 0.62 -1.35 -2.23 0.00 0.00 178.31 175.45 3f4i h PRO 32 N 0.03 1.19 -0.22 6.41 0.11 -1.78 -0.17 132.00 137.58 3f4i h PRO 32 Ca 0.14 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 3f4i h PRO 32 Cb 0.21 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3f4i h PRO 32 CO -0.28 0.79 -0.00 0.28 -0.21 0.00 0.00 178.00 178.58 3f4i h VAL 33 N 1.23 1.26 -0.27 3.15 2.07 -1.54 -1.03 116.25 121.12 3f4i h VAL 33 Ca 0.36 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3f4i h VAL 33 Cb -0.06 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3f4i h VAL 33 CO -0.10 0.27 0.17 1.56 0.02 0.00 0.00 177.57 179.49 3f4i h GLN 34 N 0.16 0.36 -0.67 1.57 1.08 -0.91 -0.21 115.11 116.49 3f4i h GLN 34 Ca 0.06 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3f4i h GLN 34 Cb 0.40 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3f4i h GLN 34 CO 0.01 0.28 0.25 0.00 -0.95 0.00 0.00 178.83 178.42 3f4i h ALA 35 N 1.07 0.88 -0.44 3.87 0.00 -1.02 -2.81 119.26 120.80 3f4i h ALA 35 Ca 0.10 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3f4i h ALA 35 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3f4i h ALA 35 CO -0.02 0.51 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 3f4i h ALA 36 N 1.11 0.67 0.00 0.00 0.00 -0.92 0.22 119.26 120.34 3f4i h ALA 36 Ca 0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3f4i h ALA 36 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f4i h ALA 36 CO -0.01 0.67 -0.12 0.93 0.00 0.00 0.00 179.25 180.72 3f4i h GLU 37 N 0.82 0.00 -0.56 0.00 5.08 -0.96 -3.25 114.58 115.71 3f4i h GLU 37 Ca 0.09 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.09 3f4i h GLU 37 Cb 0.85 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.88 3f4i h GLU 37 CO 0.08 0.12 -0.16 0.09 -1.00 0.00 0.00 179.01 178.13 3f4i n ASN 38 N -3.48 3.93 0.00 1.42 3.02 -1.06 -4.92 115.26 114.17 3f4i n ASN 38 Ca -0.01 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.75 3f4i n ASN 38 Cb 0.27 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3f4i n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f4i n GLY 39 N -0.98 0.65 7.00 7.41 0.00 -1.21 -3.08 105.19 114.99 3f4i n GLY 39 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3f4i n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f4i n GLY 40 N -2.66 0.81 0.34 -0.02 0.00 0.73 -2.85 105.19 101.54 3f4i n GLY 40 Ca 0.00 0.44 0.17 0.00 0.00 0.00 0.00 46.02 46.64 3f4i n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f4i h GLY 41 N 0.00 0.00 2.00 -0.02 0.00 -0.81 0.15 103.07 104.39 3f4i h GLY 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3f4i h GLY 41 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 3f4i h ALA 42 N 1.75 1.01 0.00 3.60 0.00 -1.66 -2.87 119.26 121.10 3f4i h ALA 42 Ca 0.11 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3f4i h ALA 42 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3f4i h ALA 42 CO -0.00 0.07 -0.92 0.35 0.00 0.00 0.00 179.25 178.75 3f4i h PHE 43 N 0.00 0.00 -0.03 0.00 3.57 -0.63 -3.39 116.94 116.47 3f4i h PHE 43 Ca -0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 3f4i h PHE 43 Cb 0.60 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3f4i h PHE 43 CO 0.00 0.82 -0.73 0.52 -2.23 0.00 0.00 178.31 176.69 3f4i h MET 44 N 0.00 0.21 0.51 1.11 2.86 -1.45 -2.02 114.93 116.16 3f4i h MET 44 Ca -0.04 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 3f4i h MET 44 Cb 1.66 0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.37 3f4i h MET 44 CO 0.10 0.85 -0.25 0.82 1.06 0.00 0.00 176.91 179.50 3f4i h ILE 45 N 0.14 0.45 -0.59 -1.22 1.08 -1.75 0.40 117.51 116.02 3f4i h ILE 45 Ca -0.02 -0.26 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 3f4i h ILE 45 Cb 1.29 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 3f4i h ILE 45 CO 0.11 0.04 0.39 -0.65 -0.69 0.00 0.00 178.15 177.35 3f4i h PRO 46 N -0.86 0.57 -0.12 2.37 0.11 -1.79 -1.48 132.00 130.80 3f4i h PRO 46 Ca -0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3f4i h PRO 46 Cb 0.59 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3f4i h PRO 46 CO 0.12 0.38 0.03 -0.92 -0.21 0.00 0.00 178.00 177.39 3f4i h TYR 47 N 0.59 0.20 -0.74 0.65 3.20 -1.13 0.37 116.97 120.10 3f4i h TYR 47 Ca 0.25 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3f4i h TYR 47 Cb 0.25 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3f4i h TYR 47 CO -0.00 0.35 0.32 0.82 -1.64 0.00 0.00 178.16 178.01 3f4i h ILE 48 N -0.01 1.25 -0.61 1.81 2.04 -0.62 -1.26 117.51 120.11 3f4i h ILE 48 Ca 0.04 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 3f4i h ILE 48 Cb 0.25 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3f4i h ILE 48 CO 0.00 0.31 0.00 0.40 0.00 0.00 0.00 178.15 178.86 3f4i h ILE 49 N 1.06 1.26 -0.37 -0.67 2.04 -1.14 -2.31 117.51 117.39 3f4i h ILE 49 Ca 0.25 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 3f4i h ILE 49 Cb 0.18 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3f4i h ILE 49 CO -0.02 0.42 -0.11 0.00 0.00 0.00 0.00 178.15 178.44 3f4i h ALA 50 N 1.01 1.12 -0.81 1.87 0.00 -0.73 -0.79 119.26 120.94 3f4i h ALA 50 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3f4i h ALA 50 Cb 0.55 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3f4i h ALA 50 CO 0.03 0.55 0.52 0.35 0.00 0.00 0.00 179.25 180.70 3f4i h PHE 51 N 0.60 1.03 0.02 0.00 3.57 -0.83 0.22 116.94 121.54 3f4i h PHE 51 Ca 0.11 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.37 3f4i h PHE 51 Cb 0.53 -0.34 0.02 0.00 2.79 0.00 0.00 35.95 38.95 3f4i h PHE 51 CO 0.02 0.66 -1.02 -0.07 -2.23 0.00 0.00 178.31 175.68 3f4i h LEU 52 N 1.10 0.86 0.00 0.59 3.38 -1.12 0.97 115.31 121.09 3f4i h LEU 52 Ca 0.29 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3f4i h LEU 52 Cb -0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.38 3f4i h LEU 52 CO -0.06 1.51 -1.10 0.18 0.09 0.00 0.00 178.44 179.05 3f4i n LEU 53 N -3.90 0.64 0.06 1.67 4.77 -0.33 -4.47 117.00 115.45 3f4i n LEU 53 Ca -0.11 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3f4i n LEU 53 Cb 0.87 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3f4i n LEU 53 CO 0.55 -0.08 -0.09 0.52 -1.33 0.00 0.00 177.39 176.96 3f4i n VAL 54 N -2.35 0.61 0.07 4.08 0.31 0.60 -4.43 118.33 117.23 3f4i n VAL 54 Ca 0.00 0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.40 3f4i n VAL 54 Cb 0.51 -1.23 -0.07 0.00 -0.91 0.00 0.00 33.84 32.14 3f4i n VAL 54 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3f4i h GLY 55 N 0.00 -0.75 0.78 2.92 0.00 -0.79 -1.30 103.07 103.94 3f4i h GLY 55 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 3f4i h GLY 55 CO 0.00 -0.25 -0.16 -2.22 0.00 0.00 0.00 176.54 173.91 3f4i h ILE 56 N -0.57 0.67 -0.59 2.60 1.08 -1.04 -1.77 117.51 117.88 3f4i h ILE 56 Ca 0.04 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.14 3f4i h ILE 56 Cb 0.64 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 3f4i h ILE 56 CO -0.29 0.08 0.38 1.55 -0.69 0.00 0.00 178.15 179.18 3f4i h PRO 57 N -0.68 0.75 -0.47 2.37 0.13 -1.77 -2.28 132.00 130.05 3f4i h PRO 57 Ca -0.05 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 3f4i h PRO 57 Cb 0.48 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 3f4i h PRO 57 CO 0.08 0.50 0.01 -0.07 -0.23 0.00 0.00 178.00 178.29 3f4i h LEU 58 N 0.77 0.73 -0.17 1.56 3.38 -1.26 -1.82 115.31 118.49 3f4i h LEU 58 Ca 0.23 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3f4i h LEU 58 Cb -0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3f4i h LEU 58 CO -0.07 0.79 -0.01 -0.03 0.09 0.00 0.00 178.44 179.21 3f4i h MET 59 N 0.72 0.04 -0.70 1.13 4.05 -0.90 -0.82 114.93 118.45 3f4i h MET 59 Ca 0.14 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3f4i h MET 59 Cb 0.42 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 3f4i h MET 59 CO 0.02 0.03 0.44 -1.49 0.23 0.00 0.00 176.91 176.13 3f4i h TRP 60 N 0.04 0.90 -0.60 1.39 6.55 -1.18 -1.66 115.95 121.38 3f4i h TRP 60 Ca 0.08 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.94 3f4i h TRP 60 Cb 0.10 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.08 3f4i h TRP 60 CO -0.17 0.59 0.40 0.82 -1.05 0.00 0.00 178.44 179.03 3f4i h ILE 61 N 0.95 1.15 -0.39 1.49 2.04 -1.03 -1.03 117.51 120.68 3f4i h ILE 61 Ca 0.25 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 3f4i h ILE 61 Cb -0.07 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3f4i h ILE 61 CO -0.05 0.15 -0.33 -0.33 0.00 0.00 0.00 178.15 177.58 3f4i h GLU 62 N 0.82 0.92 -0.60 2.37 5.08 -0.93 -0.80 114.58 121.44 3f4i h GLU 62 Ca 0.22 -0.46 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3f4i h GLU 62 Cb -0.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3f4i h GLU 62 CO -0.05 1.12 0.36 -1.49 -1.00 0.00 0.00 179.01 177.95 3f4i h TRP 63 N 0.74 0.66 -0.42 4.33 4.06 -1.19 -1.15 115.95 122.99 3f4i h TRP 63 Ca 0.07 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.98 3f4i h TRP 63 Cb 0.92 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 3f4i h TRP 63 CO 0.06 0.36 0.04 0.00 -3.56 0.00 0.00 178.44 175.35 3f4i h ALA 64 N 1.28 0.56 -0.57 1.49 0.00 -0.99 -0.58 119.26 120.45 3f4i h ALA 64 Ca 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3f4i h ALA 64 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3f4i h ALA 64 CO -0.12 0.30 0.19 0.52 0.00 0.00 0.00 179.25 180.14 3f4i h MET 65 N 0.55 0.87 -0.11 0.00 2.86 -1.01 -0.09 114.93 118.00 3f4i h MET 65 Ca 0.12 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3f4i h MET 65 Cb 0.42 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3f4i h MET 65 CO 0.01 0.78 0.04 0.78 1.06 0.00 0.00 176.91 179.59 3f4i h GLY 66 N 0.79 0.19 1.00 8.32 0.00 -1.06 -0.40 103.07 111.91 3f4i h GLY 66 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3f4i h GLY 66 CO -0.01 0.10 0.37 -0.09 0.00 0.00 0.00 176.54 176.91 3f4i h ARG 67 N 0.02 0.89 -0.22 4.80 2.43 -0.96 0.13 114.38 121.47 3f4i h ARG 67 Ca 0.04 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3f4i h ARG 67 Cb 0.19 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3f4i h ARG 67 CO -0.00 0.66 0.09 -0.92 -1.51 0.00 0.00 179.97 178.29 3f4i h TYR 68 N 0.88 0.17 -0.46 2.20 3.20 -0.86 -2.32 116.97 119.78 3f4i h TYR 68 Ca 0.23 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3f4i h TYR 68 Cb 0.02 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3f4i h TYR 68 CO -0.01 0.09 -0.08 0.78 -1.64 0.00 0.00 178.16 177.30 3f4i h GLY 69 N 0.21 0.93 1.27 1.82 0.00 -0.83 -3.10 103.07 103.37 3f4i h GLY 69 Ca 0.09 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 46.73 3f4i h GLY 69 CO -0.08 0.69 0.36 -1.33 0.00 0.00 0.00 176.54 176.17 3f4i h GLY 70 N 0.70 0.61 2.00 4.60 0.00 0.12 0.09 103.07 111.19 3f4i h GLY 70 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3f4i h GLY 70 CO 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 176.54 176.73 3f4i h ALA 71 N 1.71 1.01 -0.36 3.60 0.00 -1.34 -1.08 119.26 122.81 3f4i h ALA 71 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3f4i h ALA 71 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3f4i h ALA 71 CO -0.06 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.24 3f4i n GLN 72 N -3.11 3.00 -1.20 0.00 6.02 -0.15 -4.96 117.38 116.98 3f4i n GLN 72 Ca -0.01 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 3f4i n GLN 72 Cb 0.18 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3f4i n GLN 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f4i n GLY 73 N 0.23 0.44 3.09 1.08 0.00 -0.41 -5.06 105.19 104.57 3f4i n GLY 73 Ca 0.17 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 3f4i n GLY 73 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f4i s HIS 74 N -2.00 1.37 0.00 1.61 3.76 -0.24 -4.85 115.29 114.94 3f4i s HIS 74 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3f4i s HIS 74 Cb 0.00 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.77 3f4i s HIS 74 CO 0.00 -0.10 0.15 0.41 -0.85 0.00 0.00 174.74 174.35 3f4i n GLY 75 N 3.04 0.26 3.46 -2.22 0.00 -1.26 -0.90 105.19 107.58 3f4i n GLY 75 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 3f4i n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f4i s THR 76 N -0.48 2.43 0.27 2.61 -4.23 -1.26 -3.50 115.64 111.47 3f4i s THR 76 Ca 0.00 -2.39 0.21 0.00 -1.18 0.00 0.00 61.69 58.34 3f4i s THR 76 Cb 0.00 -2.28 0.19 0.00 1.34 0.00 0.00 72.50 71.75 3f4i s THR 76 CO 0.00 -0.40 1.86 0.71 -0.54 0.00 0.00 174.62 176.25 3f4i h THR 77 N 2.32 0.79 -0.50 3.99 1.35 -1.86 -1.94 112.91 117.06 3f4i h THR 77 Ca -0.40 -1.13 0.01 0.00 -0.55 0.00 0.00 66.41 64.34 3f4i h THR 77 Cb 1.26 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 3f4i h THR 77 CO 0.60 0.27 0.32 -0.65 -0.25 0.00 0.00 175.52 175.81 3f4i h PRO 78 N 0.00 0.63 -0.05 4.72 0.11 -1.82 0.81 132.00 136.40 3f4i h PRO 78 Ca -0.00 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3f4i h PRO 78 Cb 0.67 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3f4i h PRO 78 CO 0.04 0.42 -0.24 0.00 -0.21 0.00 0.00 178.00 178.00 3f4i h ALA 79 N 1.19 0.10 -0.73 -0.75 0.00 -1.89 -3.17 119.26 114.01 3f4i h ALA 79 Ca 0.19 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3f4i h ALA 79 Cb -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3f4i h ALA 79 CO -0.06 0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.37 3f4i h ILE 80 N -0.29 1.26 -0.52 0.00 2.04 -1.27 -0.53 117.51 118.19 3f4i h ILE 80 Ca -0.02 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3f4i h ILE 80 Cb 0.90 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3f4i h ILE 80 CO 0.05 0.34 0.27 -0.26 0.00 0.00 0.00 178.15 178.55 3f4i h PHE 81 N 1.07 0.71 -0.06 1.37 -1.00 -0.97 -2.11 116.94 115.96 3f4i h PHE 81 Ca 0.24 -0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.85 3f4i h PHE 81 Cb 0.27 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3f4i h PHE 81 CO 0.02 0.50 -0.69 -0.92 -1.61 0.00 0.00 178.31 175.62 3f4i h TYR 82 N 0.73 0.36 -0.44 -0.55 3.20 -1.24 0.12 116.97 119.13 3f4i h TYR 82 Ca 0.19 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3f4i h TYR 82 Cb 0.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3f4i h TYR 82 CO 0.00 0.87 0.02 -0.07 -1.64 0.00 0.00 178.16 177.34 3f4i h LEU 83 N 0.18 0.68 0.00 2.82 3.38 -0.71 -2.97 115.31 118.69 3f4i h LEU 83 Ca -0.02 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3f4i h LEU 83 Cb 1.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3f4i h LEU 83 CO 0.11 0.74 -0.86 -0.07 0.09 0.00 0.00 178.44 178.45 3f4i h LEU 84 N 0.68 0.00 -6.38 1.67 3.38 -1.11 -3.43 115.31 110.12 3f4i h LEU 84 Ca 0.14 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.87 3f4i h LEU 84 Cb 0.39 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.84 3f4i h LEU 84 CO 0.01 0.52 -0.58 0.86 0.09 0.00 0.00 178.44 179.35 3f4i s TRP 85 N -2.96 -0.80 -1.05 1.13 -0.00 0.39 -4.10 118.94 111.55 3f4i s TRP 85 Ca 0.01 0.13 -0.20 0.00 -0.00 0.00 0.00 56.10 56.03 3f4i s TRP 85 Cb 0.08 -0.27 -0.08 0.00 -0.00 0.00 0.00 33.47 33.19 3f4i s TRP 85 CO 0.77 -0.96 1.96 0.54 -0.00 0.00 0.00 176.95 179.26 3f4i n ARG 86 N 5.33 1.95 -3.74 5.86 5.12 -1.13 -4.18 116.66 125.86 3f4i n ARG 86 Ca -0.00 -2.29 -0.12 0.00 -1.93 0.00 0.00 57.85 53.50 3f4i n ARG 86 Cb 0.48 -3.25 -0.12 0.00 -1.16 0.00 0.00 32.46 28.42 3f4i n ARG 86 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3f4i s ASN 87 N 4.98 -0.34 0.41 0.55 3.84 -1.26 -5.04 114.94 118.08 3f4i s ASN 87 Ca 0.58 0.64 0.20 0.00 0.21 0.00 0.00 52.86 54.49 3f4i s ASN 87 Cb 0.09 0.58 1.15 0.00 -0.55 0.00 0.00 41.25 42.53 3f4i s ASN 87 CO 0.08 -0.14 1.78 -0.09 -2.79 0.00 0.00 177.10 175.94 3f4i h ARG 88 N 6.44 0.34 0.00 0.43 9.65 -2.00 0.39 114.38 129.63 3f4i h ARG 88 Ca -0.33 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.49 3f4i h ARG 88 Cb 1.18 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 3f4i h ARG 88 CO 0.33 0.23 -0.20 0.35 2.80 0.00 0.00 179.97 183.48 3f4i h PHE 89 N 0.35 0.00 -0.70 2.20 3.57 -1.96 -2.49 116.94 117.92 3f4i h PHE 89 Ca 0.59 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 62.02 3f4i h PHE 89 Cb 1.57 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 3f4i h PHE 89 CO -0.00 0.20 0.17 0.00 -2.23 0.00 0.00 178.31 176.44 3f4i h ALA 90 N 1.80 0.92 -0.57 2.41 0.00 -0.47 -0.60 119.26 122.75 3f4i h ALA 90 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3f4i h ALA 90 Cb 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3f4i h ALA 90 CO 0.03 0.65 0.16 0.87 0.00 0.00 0.00 179.25 180.95 3f4i h LYS 91 N 1.06 0.91 -0.23 0.00 1.57 -1.46 -0.21 116.57 118.20 3f4i h LYS 91 Ca 0.22 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3f4i h LYS 91 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3f4i h LYS 91 CO 0.00 0.83 -0.08 0.82 -0.57 0.00 0.00 179.45 180.45 3f4i h ILE 92 N 0.82 1.30 -0.47 1.86 2.04 -1.36 -2.51 117.51 119.18 3f4i h ILE 92 Ca 0.18 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 3f4i h ILE 92 Cb 0.32 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3f4i h ILE 92 CO -0.00 0.35 0.27 -0.07 0.00 0.00 0.00 178.15 178.70 3f4i h LEU 93 N 0.18 0.56 -2.03 1.44 3.38 -1.08 -2.22 115.31 115.53 3f4i h LEU 93 Ca 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3f4i h LEU 93 Cb 0.56 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3f4i h LEU 93 CO 0.03 0.44 -0.09 1.23 0.09 0.00 0.00 178.44 180.14 3f4i h GLY 94 N 0.70 0.00 1.34 0.83 0.00 -0.62 -2.72 103.07 102.60 3f4i h GLY 94 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.57 3f4i h GLY 94 CO -0.03 0.00 0.28 -2.08 0.00 0.00 0.00 176.54 174.71 3f4i h VAL 95 N 0.00 0.91 -0.00 4.60 2.07 -1.02 -0.48 116.25 122.33 3f4i h VAL 95 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3f4i h VAL 95 Cb 0.27 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3f4i h VAL 95 CO 0.01 0.04 0.01 -0.26 0.02 0.00 0.00 177.57 177.39 3f4i h PHE 96 N 0.22 0.00 0.00 1.57 0.04 -1.65 0.20 116.94 117.32 3f4i h PHE 96 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3f4i h PHE 96 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 3f4i h PHE 96 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3f4i n GLY 97 N -1.35 -1.34 0.11 -1.45 0.00 -0.19 -1.01 105.19 99.95 3f4i n GLY 97 Ca -0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3f4i n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f4i n LEU 98 N -1.55 2.66 -0.04 0.99 4.77 -0.07 -4.56 117.00 119.19 3f4i n LEU 98 Ca 0.06 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3f4i n LEU 98 Cb 0.29 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 3f4i n LEU 98 CO 0.23 0.84 0.72 -0.25 -1.33 0.00 0.00 177.39 177.59 3f4i h TRP 99 N 0.00 0.27 0.10 -1.77 7.01 -0.59 -2.55 115.95 118.43 3f4i h TRP 99 Ca -0.51 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.45 3f4i h TRP 99 Cb 1.82 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.80 3f4i h TRP 99 CO 0.02 0.51 -0.15 0.82 -2.79 0.00 0.00 178.44 176.86 3f4i h ILE 100 N -0.05 0.66 -0.24 2.65 2.04 -1.32 -0.73 117.51 120.52 3f4i h ILE 100 Ca 0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3f4i h ILE 100 Cb 0.42 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3f4i h ILE 100 CO 0.01 0.00 -0.13 1.55 0.00 0.00 0.00 178.15 179.58 3f4i h PRO 101 N -0.30 0.40 -0.10 2.37 0.13 -1.66 -0.34 132.00 132.50 3f4i h PRO 101 Ca 0.02 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3f4i h PRO 101 Cb 0.31 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 3f4i h PRO 101 CO -0.07 0.53 0.03 1.25 -0.23 0.00 0.00 178.00 179.51 3f4i h LEU 102 N 0.37 0.15 -0.65 1.56 5.85 -1.18 0.11 115.31 121.52 3f4i h LEU 102 Ca 0.07 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3f4i h LEU 102 Cb 0.46 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3f4i h LEU 102 CO 0.03 0.31 0.23 0.58 -0.34 0.00 0.00 178.44 179.24 3f4i h VAL 103 N -0.02 1.24 -0.65 1.05 2.07 -0.93 -2.00 116.25 117.02 3f4i h VAL 103 Ca 0.03 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 3f4i h VAL 103 Cb 0.21 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3f4i h VAL 103 CO -0.00 0.31 0.15 0.58 0.02 0.00 0.00 177.57 178.63 3f4i h VAL 104 N 0.93 1.26 -0.95 2.57 2.07 -0.99 -2.44 116.25 118.69 3f4i h VAL 104 Ca 0.21 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3f4i h VAL 104 Cb 0.26 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3f4i h VAL 104 CO -0.01 0.36 0.62 0.00 0.02 0.00 0.00 177.57 178.56 3f4i h ALA 105 N 1.06 1.48 -0.10 1.67 0.00 -0.66 0.29 119.26 122.99 3f4i h ALA 105 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3f4i h ALA 105 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3f4i h ALA 105 CO 0.00 0.37 0.05 0.82 0.00 0.00 0.00 179.25 180.49 3f4i h ILE 106 N 1.08 1.03 0.00 0.00 2.04 -0.86 -2.26 117.51 118.54 3f4i h ILE 106 Ca 0.42 -0.09 -0.19 0.00 1.00 0.00 0.00 64.86 65.99 3f4i h ILE 106 Cb 0.22 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3f4i h ILE 106 CO -0.17 0.04 -1.86 0.00 0.00 0.00 0.00 178.15 176.16 3f4i n TYR 107 N -4.51 0.00 -0.13 1.37 0.18 -0.94 -4.46 117.16 108.68 3f4i n TYR 107 Ca -0.02 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.65 3f4i n TYR 107 Cb 0.09 -0.59 -0.02 0.00 -0.38 0.00 0.00 39.34 38.44 3f4i n TYR 107 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 3f4i h TYR 108 N 0.00 0.90 -0.28 -3.48 3.20 -0.34 -2.24 116.97 114.73 3f4i h TYR 108 Ca -0.29 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.28 3f4i h TYR 108 Cb 1.58 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 3f4i h TYR 108 CO 0.00 0.96 -0.17 0.28 -1.64 0.00 0.00 178.16 177.59 3f4i h VAL 109 N 0.58 1.24 -0.07 1.81 2.07 -1.62 -0.44 116.25 119.82 3f4i h VAL 109 Ca 0.08 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 3f4i h VAL 109 Cb 0.72 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3f4i h VAL 109 CO 0.05 0.36 0.03 0.22 0.02 0.00 0.00 177.57 178.25 3f4i h TYR 110 N 0.44 0.10 -0.89 1.57 3.20 -1.73 0.34 116.97 120.01 3f4i h TYR 110 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3f4i h TYR 110 Cb 0.55 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 3f4i h TYR 110 CO 0.02 0.19 0.51 0.82 -1.64 0.00 0.00 178.16 178.05 3f4i h ILE 111 N -0.01 1.25 -0.95 1.81 2.04 -1.19 -1.20 117.51 119.27 3f4i h ILE 111 Ca 0.02 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.36 3f4i h ILE 111 Cb 0.12 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 3f4i h ILE 111 CO -0.00 0.28 0.60 -0.08 0.00 0.00 0.00 178.15 178.94 3f4i h GLU 112 N 1.24 1.02 -0.25 2.37 4.81 -0.84 -2.00 114.58 120.93 3f4i h GLU 112 Ca 0.32 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3f4i h GLU 112 Cb 0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3f4i h GLU 112 CO -0.05 0.67 -0.05 0.66 -0.73 0.00 0.00 179.01 179.51 3f4i h SER 113 N 1.05 0.36 -0.88 1.04 4.64 0.28 -2.35 113.55 117.69 3f4i h SER 113 Ca 0.43 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3f4i h SER 113 Cb 0.25 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3f4i h SER 113 CO -0.20 0.47 0.58 -0.50 -0.87 0.00 0.00 176.83 176.31 3f4i h TRP 114 N 0.37 1.10 -0.35 4.77 6.55 -0.83 -0.48 115.95 127.08 3f4i h TRP 114 Ca 0.08 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.88 3f4i h TRP 114 Cb 0.33 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 3f4i h TRP 114 CO 0.01 0.68 -0.05 1.79 -1.05 0.00 0.00 178.44 179.82 3f4i h THR 115 N 1.18 1.22 -0.21 1.49 1.35 -1.29 0.95 112.91 117.60 3f4i h THR 115 Ca 0.33 -0.91 -0.05 0.00 -0.55 0.00 0.00 66.41 65.22 3f4i h THR 115 Cb -0.11 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 3f4i h THR 115 CO -0.08 0.31 -0.08 0.25 -0.25 0.00 0.00 175.52 175.67 3f4i h LEU 116 N 0.53 0.43 -0.74 3.87 5.85 -1.22 -1.04 115.31 123.00 3f4i h LEU 116 Ca 0.11 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3f4i h LEU 116 Cb 0.41 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3f4i h LEU 116 CO 0.02 0.73 0.46 1.23 -0.34 0.00 0.00 178.44 180.54 3f4i h GLY 117 N 0.14 1.08 0.98 3.75 0.00 -0.68 -0.99 103.07 107.35 3f4i h GLY 117 Ca 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3f4i h GLY 117 CO 0.03 0.28 -0.17 0.74 0.00 0.00 0.00 176.54 177.41 3f4i h PHE 118 N 0.89 0.87 -0.24 5.60 -1.00 -0.82 -2.08 116.94 120.16 3f4i h PHE 118 Ca 0.30 -0.21 0.04 0.00 2.81 0.00 0.00 57.97 60.91 3f4i h PHE 118 Cb 0.05 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.36 3f4i h PHE 118 CO -0.04 0.94 -0.03 0.00 -1.61 0.00 0.00 178.31 177.57 3f4i h ALA 119 N 0.79 0.18 0.03 2.45 0.00 -0.84 0.15 119.26 122.02 3f4i h ALA 119 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3f4i h ALA 119 Cb 0.72 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3f4i h ALA 119 CO 0.05 -0.45 -0.21 0.82 0.00 0.00 0.00 179.25 179.46 3f4i h ILE 120 N 0.03 0.51 -0.48 0.00 2.04 -1.14 0.36 117.51 118.83 3f4i h ILE 120 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3f4i h ILE 120 Cb 0.16 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3f4i h ILE 120 CO -0.22 0.00 0.10 0.11 0.00 0.00 0.00 178.15 178.14 3f4i h LYS 121 N -0.35 0.74 -0.10 2.37 1.57 -1.07 -2.09 116.57 117.65 3f4i h LYS 121 Ca 0.05 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 3f4i h LYS 121 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3f4i h LYS 121 CO -0.17 0.69 -0.67 0.74 -0.57 0.00 0.00 179.45 179.47 3f4i h PHE 122 N 0.72 0.52 -0.51 -1.35 -1.00 -0.49 0.16 116.94 114.99 3f4i h PHE 122 Ca 0.16 -0.22 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 3f4i h PHE 122 Cb 0.30 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3f4i h PHE 122 CO 0.02 0.95 0.24 1.25 -1.61 0.00 0.00 178.31 179.15 3f4i h LEU 123 N 0.28 0.68 -0.88 1.54 5.85 -0.56 -2.86 115.31 119.35 3f4i h LEU 123 Ca -0.02 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3f4i h LEU 123 Cb 1.22 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3f4i h LEU 123 CO 0.11 0.62 0.00 0.52 -0.34 0.00 0.00 178.44 179.36 3f4i n VAL 124 N -4.59 0.05 -1.26 1.05 0.31 -0.82 -4.92 118.33 108.15 3f4i n VAL 124 Ca 0.02 -0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 64.05 3f4i n VAL 124 Cb 0.12 0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 3f4i n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f4i n GLY 125 N 1.14 0.80 2.61 2.92 0.00 -0.73 -4.93 105.19 106.99 3f4i n GLY 125 Ca 0.19 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3f4i n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f4i n LEU 126 N -0.73 7.58 -4.36 0.99 4.77 0.47 -4.93 117.00 120.80 3f4i n LEU 126 Ca -0.06 -4.79 -0.18 0.00 -0.03 0.00 0.00 56.01 50.95 3f4i n LEU 126 Cb 0.24 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.82 3f4i n LEU 126 CO 0.10 1.82 -0.36 0.68 -1.33 0.00 0.00 177.39 178.29 3f4i s VAL 127 N -0.49 1.33 0.94 4.08 -7.23 -1.26 -4.73 120.40 113.04 3f4i s VAL 127 Ca 0.49 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 3f4i s VAL 127 Cb 0.15 -2.29 0.15 0.00 0.56 0.00 0.00 36.38 34.96 3f4i s VAL 127 CO -0.06 -0.40 1.09 -2.16 -0.31 0.00 0.00 175.10 173.27 3f4i s PRO 128 N -3.78 0.92 -0.25 4.82 0.04 -1.26 -5.06 135.00 130.43 3f4i s PRO 128 Ca 0.27 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.14 3f4i s PRO 128 Cb 0.04 -1.77 0.09 0.00 0.04 0.00 0.00 34.50 32.90 3f4i s PRO 128 CO 0.09 -2.49 0.11 -1.83 0.04 0.00 0.00 177.00 172.92 3f4i s GLU 129 N -4.85 0.20 0.99 4.56 -1.05 -1.26 -5.04 118.70 112.25 3f4i s GLU 129 Ca 0.64 -0.43 -0.11 0.00 -0.15 0.00 0.00 54.97 54.93 3f4i s GLU 129 Cb -0.19 -1.43 0.18 0.00 -0.44 0.00 0.00 34.13 32.25 3f4i s GLU 129 CO 0.58 -0.91 1.06 -2.30 0.95 0.00 0.00 175.26 174.65 3f4i n PRO 130 N 5.23 -0.99 -2.79 -4.83 -0.02 -1.26 -4.96 135.00 125.38 3f4i n PRO 130 Ca -0.06 -0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 60.76 3f4i n PRO 130 Cb 0.44 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3f4i n PRO 130 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3f4i s PRO 131 N -4.51 3.28 -0.62 0.52 0.04 -1.26 -5.04 135.00 127.42 3f4i s PRO 131 Ca 0.67 -0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.10 3f4i s PRO 131 Cb -0.23 -4.10 -0.11 0.00 0.04 0.00 0.00 34.50 30.10 3f4i s PRO 131 CO 0.60 -1.64 2.44 -2.30 0.04 0.00 0.00 177.00 176.14 3f4i n PRO 132 N 7.80 0.81 0.00 0.56 -0.02 -1.26 -4.84 135.00 138.04 3f4i n PRO 132 Ca 0.01 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3f4i n PRO 132 Cb 0.47 -3.26 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 3f4i n PRO 132 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3f4i n THR 135 N 8.06 0.00 -1.68 3.45 -1.04 -1.26 -5.13 114.28 116.68 3f4i n THR 135 Ca 0.43 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.89 3f4i n THR 135 Cb 0.46 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.91 3f4i n THR 135 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3f4i n ASP 136 N -0.40 2.63 0.00 8.00 4.64 -1.26 -4.80 116.55 125.36 3f4i n ASP 136 Ca 0.00 0.99 0.01 0.00 -1.38 0.00 0.00 54.79 54.41 3f4i n ASP 136 Cb 0.00 -1.21 0.05 0.00 -1.04 0.00 0.00 41.12 38.92 3f4i n ASP 136 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3f4i n PRO 137 N 5.99 0.02 -0.06 -0.67 -0.04 -1.26 -2.22 135.00 136.77 3f4i n PRO 137 Ca 0.27 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.98 3f4i n PRO 137 Cb 0.18 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 3f4i n PRO 137 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3f4i n ASP 138 N -1.33 2.10 0.25 3.54 8.00 -1.26 -3.81 116.55 124.03 3f4i n ASP 138 Ca 0.01 -0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.63 3f4i n ASP 138 Cb 0.02 0.78 0.59 0.00 -0.02 0.00 0.00 41.12 42.49 3f4i n ASP 138 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3f4i h SER 139 N 0.00 0.00 0.18 -2.24 4.64 -1.83 -1.68 113.55 112.63 3f4i h SER 139 Ca -0.32 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.65 3f4i h SER 139 Cb 1.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 3f4i h SER 139 CO 0.02 0.15 -1.94 0.40 -0.87 0.00 0.00 176.83 174.59 3f4i h ILE 140 N 0.00 0.68 0.02 0.95 2.04 -1.75 -3.36 117.51 116.08 3f4i h ILE 140 Ca -0.00 -2.40 -0.22 0.00 1.00 0.00 0.00 64.86 63.23 3f4i h ILE 140 Cb 0.58 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3f4i h ILE 140 CO 0.02 0.85 -0.95 -0.07 0.00 0.00 0.00 178.15 178.00 3f4i h LEU 141 N 0.07 0.41 -0.55 1.44 3.38 -1.64 -3.35 115.31 115.07 3f4i h LEU 141 Ca -0.40 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.28 3f4i h LEU 141 Cb 2.04 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.61 3f4i h LEU 141 CO 0.09 1.16 0.27 -0.09 0.09 0.00 0.00 178.44 179.96 3f4i h ARG 142 N 0.17 0.49 -0.26 1.13 2.43 -1.51 -0.17 114.38 116.65 3f4i h ARG 142 Ca -0.07 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3f4i h ARG 142 Cb 1.60 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 3f4i h ARG 142 CO 0.16 0.32 0.17 -1.35 -1.51 0.00 0.00 179.97 177.76 3f4i h PRO 143 N 0.50 0.30 0.07 0.20 0.11 -1.79 0.01 132.00 131.40 3f4i h PRO 143 Ca 0.25 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 66.10 3f4i h PRO 143 Cb 0.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3f4i h PRO 143 CO -0.19 0.20 -1.17 0.74 -0.21 0.00 0.00 178.00 177.37 3f4i h PHE 144 N 0.31 0.26 -0.19 0.65 0.04 -1.42 -2.12 116.94 114.47 3f4i h PHE 144 Ca 0.10 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 3f4i h PHE 144 Cb 0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3f4i h PHE 144 CO -0.00 1.15 0.06 -0.22 -0.60 0.00 0.00 178.31 178.70 3f4i h LYS 145 N 0.04 0.29 -0.36 1.51 3.64 -0.56 -2.31 116.57 118.81 3f4i h LYS 145 Ca -0.09 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3f4i h LYS 145 Cb 1.89 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.65 3f4i h LYS 145 CO 0.16 0.40 0.13 0.93 -2.27 0.00 0.00 179.45 178.81 3f4i h GLU 146 N 0.12 0.51 -0.19 1.90 5.08 -1.05 -0.25 114.58 120.70 3f4i h GLU 146 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3f4i h GLU 146 Cb 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3f4i h GLU 146 CO -0.00 0.44 0.10 0.35 -1.00 0.00 0.00 179.01 178.89 3f4i h PHE 147 N 0.51 0.27 -0.37 4.33 3.57 -1.19 -0.20 116.94 123.86 3f4i h PHE 147 Ca 0.13 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3f4i h PHE 147 Cb 0.13 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3f4i h PHE 147 CO 0.01 0.28 -0.02 1.25 -2.23 0.00 0.00 178.31 177.59 3f4i h LEU 148 N 0.19 0.66 -1.18 0.59 5.85 -1.02 -2.54 115.31 117.86 3f4i h LEU 148 Ca 0.07 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3f4i h LEU 148 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3f4i h LEU 148 CO -0.01 0.83 0.30 1.88 -0.34 0.00 0.00 178.44 181.09 3f4i h TYR 149 N 0.48 0.86 -0.03 1.25 -1.99 -0.89 -1.51 116.97 115.15 3f4i h TYR 149 Ca 0.10 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.67 3f4i h TYR 149 Cb 0.50 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 3f4i h TYR 149 CO 0.04 0.63 -0.60 0.77 -0.00 0.00 0.00 178.16 178.99 3f4i h SER 150 N 0.86 0.10 0.19 3.88 0.02 -1.01 0.17 113.55 117.77 3f4i h SER 150 Ca 0.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3f4i h SER 150 Cb 0.09 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3f4i h SER 150 CO -0.03 0.68 -0.09 0.22 -1.14 0.00 0.00 176.83 176.47 3f4i h TYR 151 N 0.07 -0.24 0.00 3.45 3.20 -0.86 -3.31 116.97 119.27 3f4i h TYR 151 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3f4i h TYR 151 Cb 1.08 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3f4i h TYR 151 CO 0.01 0.13 -0.87 0.44 -1.64 0.00 0.00 178.16 176.22 3f4i n ILE 152 N -5.03 0.41 -1.96 1.81 -5.35 -0.73 -1.79 119.36 106.72 3f4i n ILE 152 Ca -0.09 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3f4i n ILE 152 Cb 0.25 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 3f4i n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f4i n GLY 153 N 1.28 0.62 3.65 3.28 0.00 0.53 -3.08 105.19 111.47 3f4i n GLY 153 Ca 0.02 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 3f4i n GLY 153 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f4i n VAL 154 N -1.36 1.97 -1.77 1.61 0.31 -0.76 -0.88 118.33 117.44 3f4i n VAL 154 Ca 0.00 -0.49 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 3f4i n VAL 154 Cb 0.45 -1.31 -0.02 0.00 -0.91 0.00 0.00 33.84 32.06 3f4i n VAL 154 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3f4i s PRO 155 N -1.69 4.12 0.00 5.55 0.02 -1.26 -4.84 135.00 136.91 3f4i s PRO 155 Ca 0.57 2.58 0.22 0.00 0.02 0.00 0.00 61.00 64.39 3f4i s PRO 155 Cb -0.63 -3.03 -0.22 0.00 0.02 0.00 0.00 34.50 30.64 3f4i s PRO 155 CO 0.61 -0.65 0.74 1.63 -0.33 0.00 0.00 177.00 179.00 3f4i n LYS 156 N 2.45 0.38 0.00 5.54 5.02 -1.26 -4.99 118.16 125.31 3f4i n LYS 156 Ca 0.09 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f4i n LYS 156 Cb 0.37 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3f4i n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f4i n GLY 157 N 1.35 4.57 0.07 0.72 0.00 -1.26 -5.06 105.19 105.57 3f4i n GLY 157 Ca -0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.37 3f4i n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f4i n ASP 158 N 0.00 0.11 -4.73 1.61 8.00 -1.26 -4.94 116.55 115.34 3f4i n ASP 158 Ca 0.00 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 3f4i n ASP 158 Cb 0.00 1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 42.34 3f4i n ASP 158 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3f4i s GLU 159 N -2.93 4.27 0.00 -1.24 2.02 -1.26 -4.89 118.70 114.68 3f4i s GLU 159 Ca -0.08 2.24 -0.04 0.00 0.02 0.00 0.00 54.97 57.11 3f4i s GLU 159 Cb 0.09 -3.17 -0.16 0.00 0.10 0.00 0.00 34.13 30.99 3f4i s GLU 159 CO 0.86 -0.48 2.84 -0.35 0.02 0.00 0.00 175.26 178.15 3f4i n PRO 160 N 3.38 1.52 -5.12 0.39 -0.04 -1.26 -4.83 135.00 129.04 3f4i n PRO 160 Ca 0.11 -0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 62.66 3f4i n PRO 160 Cb 0.40 -1.63 -0.15 0.00 -0.04 0.00 0.00 33.50 32.08 3f4i n PRO 160 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3f4i s ILE 161 N 0.78 2.45 0.10 0.52 -1.09 -1.26 -0.85 121.20 121.85 3f4i s ILE 161 Ca 0.40 -0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3f4i s ILE 161 Cb 0.19 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 3f4i s ILE 161 CO 0.00 0.57 0.27 -0.76 -1.23 0.00 0.00 174.94 173.79 3f4i s LEU 162 N -0.39 4.33 -0.50 2.97 1.43 0.91 -4.11 118.68 123.33 3f4i s LEU 162 Ca 0.03 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 3f4i s LEU 162 Cb -0.12 -3.03 0.21 0.00 0.03 0.00 0.00 46.19 43.28 3f4i s LEU 162 CO 0.02 0.11 0.50 1.17 0.23 0.00 0.00 176.35 178.37 3f4i n LYS 163 N 0.02 1.07 -1.88 1.70 0.00 -0.06 -4.64 118.16 114.36 3f4i n LYS 163 Ca -0.05 -3.70 -0.40 0.00 0.00 0.00 0.00 58.31 54.16 3f4i n LYS 163 Cb 0.52 -1.75 0.01 0.00 0.00 0.00 0.00 35.03 33.81 3f4i n LYS 163 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3f4i s PRO 164 N -1.05 3.74 0.81 1.64 0.02 -1.18 -3.84 135.00 135.14 3f4i s PRO 164 Ca 0.33 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 3f4i s PRO 164 Cb 0.08 -2.66 0.09 0.00 0.02 0.00 0.00 34.50 32.03 3f4i s PRO 164 CO -0.13 -0.74 1.17 -1.54 -0.33 0.00 0.00 177.00 175.43 3f4i s SER 165 N -0.62 3.68 0.33 2.53 1.04 -0.74 -4.85 113.70 115.07 3f4i s SER 165 Ca 0.60 2.23 0.02 0.00 0.48 0.00 0.00 55.95 59.29 3f4i s SER 165 Cb -0.41 -2.57 0.61 0.00 0.10 0.00 0.00 66.02 63.74 3f4i s SER 165 CO 0.53 -2.60 1.95 0.25 0.98 0.00 0.00 173.24 174.35 3f4i h LEU 166 N -1.06 0.80 -0.42 2.42 5.85 -1.93 -2.32 115.31 118.64 3f4i h LEU 166 Ca -0.45 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3f4i h LEU 166 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3f4i h LEU 166 CO 0.46 0.53 0.26 0.15 -0.34 0.00 0.00 178.44 179.51 3f4i h PHE 167 N 0.92 0.55 -0.71 1.25 3.57 -1.94 -1.55 116.94 119.03 3f4i h PHE 167 Ca 0.33 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3f4i h PHE 167 Cb 0.13 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3f4i h PHE 167 CO -0.00 0.39 0.42 0.00 -2.23 0.00 0.00 178.31 176.88 3f4i h ALA 168 N 1.12 1.40 -0.19 2.41 0.00 -1.70 -0.87 119.26 121.43 3f4i h ALA 168 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3f4i h ALA 168 Cb -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3f4i h ALA 168 CO -0.03 0.51 -0.15 -0.92 0.00 0.00 0.00 179.25 178.66 3f4i h TYR 169 N 0.98 0.53 -0.47 0.00 3.20 -1.05 -1.73 116.97 118.42 3f4i h TYR 169 Ca 0.25 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3f4i h TYR 169 Cb -0.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3f4i h TYR 169 CO 0.00 0.78 0.00 0.82 -1.64 0.00 0.00 178.16 178.13 3f4i h ILE 170 N 0.12 1.24 -0.19 1.81 2.04 -1.14 -2.33 117.51 119.06 3f4i h ILE 170 Ca 0.04 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 3f4i h ILE 170 Cb 0.68 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3f4i h ILE 170 CO 0.04 0.35 -0.27 0.58 0.00 0.00 0.00 178.15 178.85 3f4i h VAL 171 N 0.72 1.26 -0.42 1.67 2.07 -1.07 -0.67 116.25 119.82 3f4i h VAL 171 Ca 0.14 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3f4i h VAL 171 Cb 0.44 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3f4i h VAL 171 CO 0.02 0.39 0.11 0.15 0.02 0.00 0.00 177.57 178.26 3f4i h PHE 172 N 0.33 0.69 -0.51 1.57 3.57 -1.00 0.51 116.94 122.11 3f4i h PHE 172 Ca 0.05 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3f4i h PHE 172 Cb 0.65 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3f4i h PHE 172 CO 0.02 0.65 0.26 -0.07 -2.23 0.00 0.00 178.31 176.93 3f4i h LEU 173 N 0.54 0.38 -0.70 0.59 3.38 -1.02 0.09 115.31 118.57 3f4i h LEU 173 Ca 0.13 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3f4i h LEU 173 Cb 0.29 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3f4i h LEU 173 CO -0.00 0.26 0.38 0.40 0.09 0.00 0.00 178.44 179.57 3f4i h ILE 174 N 0.51 1.22 -0.61 1.22 2.04 -0.91 -1.22 117.51 119.77 3f4i h ILE 174 Ca 0.23 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3f4i h ILE 174 Cb 0.13 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3f4i h ILE 174 CO -0.16 0.24 0.33 0.74 0.00 0.00 0.00 178.15 179.31 3f4i h THR 175 N 0.96 1.20 -0.74 -0.27 2.02 -0.31 -0.22 112.91 115.55 3f4i h THR 175 Ca 0.25 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3f4i h THR 175 Cb 0.05 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 3f4i h THR 175 CO -0.04 0.21 0.42 0.24 0.37 0.00 0.00 175.52 176.72 3f4i h MET 176 N 0.82 1.02 -0.84 6.66 2.86 -0.74 -1.72 114.93 122.99 3f4i h MET 176 Ca 0.21 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3f4i h MET 176 Cb 0.04 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3f4i h MET 176 CO -0.03 0.75 0.53 0.35 1.06 0.00 0.00 176.91 179.57 3f4i h PHE 177 N 1.01 1.08 -0.46 -0.22 3.57 -0.51 -0.91 116.94 120.50 3f4i h PHE 177 Ca 0.26 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 3f4i h PHE 177 Cb 0.01 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 3f4i h PHE 177 CO -0.00 0.70 -0.05 0.82 -2.23 0.00 0.00 178.31 177.54 3f4i h ILE 178 N 1.15 1.27 -0.56 1.41 2.04 -0.73 0.08 117.51 122.16 3f4i h ILE 178 Ca 0.31 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 65.04 3f4i h ILE 178 Cb -0.09 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3f4i h ILE 178 CO -0.06 0.39 0.35 0.78 0.00 0.00 0.00 178.15 179.61 3f4i h ASN 179 N 0.69 0.57 -0.66 1.72 2.35 -1.06 -2.76 115.58 116.43 3f4i h ASN 179 Ca 0.12 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3f4i h ASN 179 Cb 0.58 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3f4i h ASN 179 CO 0.03 0.40 0.07 0.58 -1.65 0.00 0.00 177.43 176.87 3f4i h VAL 180 N 0.69 1.27 -0.34 2.81 2.07 -0.91 -1.47 116.25 120.36 3f4i h VAL 180 Ca 0.22 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3f4i h VAL 180 Cb 0.00 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3f4i h VAL 180 CO -0.09 0.40 0.21 0.77 0.02 0.00 0.00 177.57 178.89 3f4i h SER 181 N 1.03 0.40 0.07 0.57 4.64 -0.73 0.18 113.55 119.70 3f4i h SER 181 Ca 0.20 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3f4i h SER 181 Cb 0.48 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3f4i h SER 181 CO 0.02 0.30 -0.38 0.40 -0.87 0.00 0.00 176.83 176.30 3f4i h ILE 182 N 0.46 1.67 -0.41 0.95 2.04 -1.27 -3.37 117.51 117.59 3f4i h ILE 182 Ca 0.12 -2.44 -0.06 0.00 1.00 0.00 0.00 64.86 63.48 3f4i h ILE 182 Cb -0.03 3.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 3f4i h ILE 182 CO -0.02 0.66 -0.00 -0.07 0.00 0.00 0.00 178.15 178.72 3f4i h LEU 183 N -0.71 0.62 -2.14 1.44 3.38 -0.91 -2.64 115.31 114.35 3f4i h LEU 183 Ca -0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3f4i h LEU 183 Cb 1.30 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3f4i h LEU 183 CO 0.07 0.69 -0.07 -0.29 0.09 0.00 0.00 178.44 178.93 3f4i h ILE 184 N 0.62 0.41 -0.00 1.22 6.09 -0.82 -0.66 117.51 124.36 3f4i h ILE 184 Ca 0.13 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 3f4i h ILE 184 Cb 0.39 1.25 0.00 0.00 0.47 0.00 0.00 36.82 38.93 3f4i h ILE 184 CO 0.01 0.07 -0.25 0.54 -3.07 0.00 0.00 178.15 175.45 3f4i n ARG 185 N -3.52 0.11 0.00 2.19 1.74 -0.99 -4.80 116.66 111.38 3f4i n ARG 185 Ca -0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3f4i n ARG 185 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3f4i n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f4i n GLY 186 N 1.47 -1.79 0.23 -0.13 0.00 -0.26 -3.58 105.19 101.13 3f4i n GLY 186 Ca 0.07 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 3f4i n GLY 186 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3f4i h ILE 187 N 0.00 0.00 0.03 -0.61 1.08 -1.91 -1.13 117.51 114.96 3f4i h ILE 187 Ca 0.00 -0.58 -0.14 0.00 -0.39 0.00 0.00 64.86 63.75 3f4i h ILE 187 Cb 0.00 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 33.76 3f4i h ILE 187 CO 0.00 0.00 -0.55 0.77 -0.69 0.00 0.00 178.15 177.68 3f4i h SER 188 N -1.09 0.44 1.14 1.72 4.64 -1.85 0.79 113.55 119.35 3f4i h SER 188 Ca -0.05 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 3f4i h SER 188 Cb 0.39 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3f4i h SER 188 CO 0.09 1.20 -0.35 0.29 -0.87 0.00 0.00 176.83 177.18 3f4i n LYS 189 N -4.27 0.28 0.00 4.77 5.02 -1.26 -2.80 118.16 119.90 3f4i n LYS 189 Ca -0.11 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3f4i n LYS 189 Cb 0.66 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3f4i n LYS 189 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f4i n GLY 190 N 1.32 -0.19 0.16 0.72 0.00 -0.78 -4.56 105.19 101.86 3f4i n GLY 190 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3f4i n GLY 190 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3f4i h ILE 191 N 0.00 1.18 -0.26 -0.61 2.04 -1.03 -1.96 117.51 116.87 3f4i h ILE 191 Ca 0.00 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3f4i h ILE 191 Cb 0.00 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3f4i h ILE 191 CO 0.00 0.19 0.06 -0.08 0.00 0.00 0.00 178.15 178.32 3f4i h GLU 192 N 0.38 0.42 -0.77 2.37 4.81 -0.97 -0.66 114.58 120.16 3f4i h GLU 192 Ca 0.11 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3f4i h GLU 192 Cb 0.16 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3f4i h GLU 192 CO -0.01 0.52 0.28 0.00 -0.73 0.00 0.00 179.01 179.07 3f4i h ARG 193 N 0.25 1.16 -0.45 1.92 3.08 -1.49 -2.55 114.38 116.31 3f4i h ARG 193 Ca 0.08 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3f4i h ARG 193 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3f4i h ARG 193 CO 0.00 0.96 -0.07 0.35 -1.07 0.00 0.00 179.97 180.14 3f4i h PHE 194 N 1.13 0.93 -0.93 3.04 3.57 -1.21 -3.02 116.94 120.45 3f4i h PHE 194 Ca 0.25 -0.19 0.11 0.00 3.53 0.00 0.00 57.97 61.67 3f4i h PHE 194 Cb 0.25 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 3f4i h PHE 194 CO 0.02 0.92 0.60 0.00 -2.23 0.00 0.00 178.31 177.62 3f4i h ALA 195 N 0.88 1.62 0.00 2.41 0.00 -0.85 0.36 119.26 123.67 3f4i h ALA 195 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3f4i h ALA 195 Cb 0.60 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3f4i h ALA 195 CO 0.04 0.18 -0.09 0.87 0.00 0.00 0.00 179.25 180.25 3f4i h LYS 196 N 0.91 0.00 0.06 0.00 1.57 -1.33 -1.94 116.57 115.83 3f4i h LYS 196 Ca 0.44 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.85 3f4i h LYS 196 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3f4i h LYS 196 CO -0.20 0.09 -2.15 -0.89 -0.57 0.00 0.00 179.45 175.73 3f4i n ILE 197 N -3.29 1.63 -0.03 1.86 5.41 -0.40 -4.49 119.36 120.04 3f4i n ILE 197 Ca -0.00 -0.54 -0.16 0.00 1.00 0.00 0.00 62.75 63.04 3f4i n ILE 197 Cb 0.30 -1.66 -0.08 0.00 -0.71 0.00 0.00 39.64 37.48 3f4i n ILE 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3f4i h ALA 198 N -0.10 0.23 -0.08 -1.39 0.00 -0.26 -3.11 119.26 114.55 3f4i h ALA 198 Ca -0.50 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 3f4i h ALA 198 Cb 1.88 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3f4i h ALA 198 CO -0.05 0.45 0.02 0.52 0.00 0.00 0.00 179.25 180.19 3f4i h MET 199 N 0.22 0.12 -0.84 0.00 2.86 -1.58 0.21 114.93 115.93 3f4i h MET 199 Ca -0.04 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3f4i h MET 199 Cb 1.20 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 3f4i h MET 199 CO 0.12 0.30 0.55 -1.35 1.06 0.00 0.00 176.91 177.59 3f4i h PRO 200 N -0.08 1.09 -0.43 -0.22 0.11 -1.79 0.31 132.00 130.99 3f4i h PRO 200 Ca 0.02 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.09 3f4i h PRO 200 Cb 0.23 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 3f4i h PRO 200 CO -0.00 0.72 0.25 1.15 -0.21 0.00 0.00 178.00 179.92 3f4i h THR 201 N 1.13 1.05 -0.46 -1.15 2.02 -1.43 -1.48 112.91 112.58 3f4i h THR 201 Ca 0.31 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.33 3f4i h THR 201 Cb -0.11 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3f4i h THR 201 CO -0.07 0.09 0.29 0.25 0.37 0.00 0.00 175.52 176.45 3f4i h LEU 202 N 0.51 0.48 -0.52 2.58 6.46 -0.03 -1.16 115.31 123.63 3f4i h LEU 202 Ca 0.17 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 3f4i h LEU 202 Cb 0.00 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 3f4i h LEU 202 CO -0.07 0.35 0.21 0.15 -0.62 0.00 0.00 178.44 178.45 3f4i h PHE 203 N 0.58 0.79 -0.30 1.25 3.57 -0.71 -1.79 116.94 120.34 3f4i h PHE 203 Ca 0.18 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3f4i h PHE 203 Cb -0.02 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3f4i h PHE 203 CO -0.06 0.65 0.03 0.82 -2.23 0.00 0.00 178.31 177.52 3f4i h ILE 204 N 0.70 1.24 -0.36 1.41 2.04 -0.98 -1.03 117.51 120.55 3f4i h ILE 204 Ca 0.17 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3f4i h ILE 204 Cb 0.20 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3f4i h ILE 204 CO -0.01 0.28 0.22 -0.07 0.00 0.00 0.00 178.15 178.56 3f4i h LEU 205 N 0.31 0.36 -0.22 1.44 3.38 -1.17 -1.55 115.31 117.87 3f4i h LEU 205 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3f4i h LEU 205 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3f4i h LEU 205 CO 0.01 0.26 0.11 0.00 0.09 0.00 0.00 178.44 178.91 3f4i h ALA 206 N 1.15 0.29 -0.47 1.53 0.00 -1.21 -0.96 119.26 119.59 3f4i h ALA 206 Ca 0.14 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3f4i h ALA 206 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3f4i h ALA 206 CO -0.06 -0.15 0.28 0.28 0.00 0.00 0.00 179.25 179.60 3f4i h VAL 207 N 0.23 1.04 -0.57 0.00 2.07 -1.08 0.15 116.25 118.08 3f4i h VAL 207 Ca 0.08 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3f4i h VAL 207 Cb 0.12 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3f4i h VAL 207 CO -0.01 0.10 0.31 0.15 0.02 0.00 0.00 177.57 178.14 3f4i h PHE 208 N 0.55 0.57 -0.68 1.57 3.57 -1.06 -1.17 116.94 120.29 3f4i h PHE 208 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3f4i h PHE 208 Cb 0.02 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3f4i h PHE 208 CO -0.07 0.28 0.14 -0.07 -2.23 0.00 0.00 178.31 176.36 3f4i h LEU 209 N 0.59 1.06 -0.35 0.59 3.38 -0.61 -0.88 115.31 119.08 3f4i h LEU 209 Ca 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f4i h LEU 209 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3f4i h LEU 209 CO -0.16 1.03 0.23 0.58 0.09 0.00 0.00 178.44 180.21 3f4i h VAL 210 N 1.04 1.09 -0.23 1.22 2.07 -0.55 -0.64 116.25 120.25 3f4i h VAL 210 Ca 0.21 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3f4i h VAL 210 Cb 0.40 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3f4i h VAL 210 CO 0.01 0.09 0.06 0.40 0.02 0.00 0.00 177.57 178.14 3f4i h ILE 211 N 0.48 0.92 -0.54 4.57 2.04 -0.90 -0.29 117.51 123.77 3f4i h ILE 211 Ca 0.13 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3f4i h ILE 211 Cb -0.05 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3f4i h ILE 211 CO -0.03 0.03 0.35 -0.09 0.00 0.00 0.00 178.15 178.41 3f4i h ARG 212 N 0.15 0.72 -0.32 2.37 9.65 -0.90 -2.30 114.38 123.75 3f4i h ARG 212 Ca 0.10 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 3f4i h ARG 212 Cb 0.09 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3f4i h ARG 212 CO -0.12 0.49 -0.05 0.28 2.80 0.00 0.00 179.97 183.37 3f4i h VAL 213 N 0.73 1.21 0.00 0.20 2.07 -0.84 -2.25 116.25 117.38 3f4i h VAL 213 Ca 0.20 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3f4i h VAL 213 Cb -0.06 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3f4i h VAL 213 CO -0.04 0.30 0.00 0.33 0.02 0.00 0.00 177.57 178.18 3f4i n PHE 214 N -4.25 0.44 1.15 1.57 7.35 -0.15 -1.29 117.46 122.29 3f4i n PHE 214 Ca 0.01 0.20 0.12 0.00 -0.76 0.00 0.00 57.45 57.02 3f4i n PHE 214 Cb 0.28 -0.82 0.28 0.00 0.35 0.00 0.00 39.48 39.57 3f4i n PHE 214 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3f4i n LEU 215 N -1.92 1.06 -4.70 -2.13 4.77 -0.84 -4.75 117.00 108.48 3f4i n LEU 215 Ca 0.01 -0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 3f4i n LEU 215 Cb 0.12 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3f4i n LEU 215 CO 0.12 0.21 1.01 -0.76 -1.33 0.00 0.00 177.39 176.64 3f4i s LEU 216 N -2.61 4.34 -0.12 2.23 1.43 -0.41 -5.02 118.68 118.51 3f4i s LEU 216 Ca 0.20 2.10 -0.06 0.00 -1.03 0.00 0.00 54.13 55.35 3f4i s LEU 216 Cb 0.19 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.89 3f4i s LEU 216 CO 0.58 -0.61 0.28 -0.70 0.23 0.00 0.00 176.35 176.13 3f4i s GLU 217 N 1.65 0.23 0.31 1.70 2.12 -1.26 -2.71 118.70 120.74 3f4i s GLU 217 Ca 0.62 0.63 0.03 0.00 0.36 0.00 0.00 54.97 56.61 3f4i s GLU 217 Cb -0.31 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 3f4i s GLU 217 CO 0.28 -0.19 0.14 0.95 -0.54 0.00 0.00 175.26 175.90 3f4i s THR 218 N 1.55 0.44 0.67 -1.70 -4.23 0.24 -5.00 115.64 107.60 3f4i s THR 218 Ca -0.07 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.80 3f4i s THR 218 Cb -0.10 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.57 3f4i s THR 218 CO -0.09 0.00 2.12 -0.65 -0.54 0.00 0.00 174.62 175.46 3f4i h PRO 219 N 2.20 0.00 0.00 3.99 0.11 -1.94 -1.62 132.00 134.75 3f4i h PRO 219 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3f4i h PRO 219 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3f4i h PRO 219 CO 0.55 0.00 -0.85 0.09 -0.21 0.00 0.00 178.00 177.58 3f4i n ASN 220 N -2.99 0.63 0.00 -2.05 3.02 -1.26 -5.06 115.26 107.55 3f4i n ASN 220 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3f4i n ASN 220 Cb 0.25 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 3f4i n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f4i n GLY 221 N 1.38 -0.14 3.41 7.41 0.00 -0.61 -4.36 105.19 112.28 3f4i n GLY 221 Ca 0.03 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 3f4i n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f4i s THR 222 N -2.58 1.32 0.57 2.61 -4.23 -1.26 -0.59 115.64 111.48 3f4i s THR 222 Ca 0.00 -2.06 0.25 0.00 -1.18 0.00 0.00 61.69 58.70 3f4i s THR 222 Cb 0.00 -2.53 0.33 0.00 1.34 0.00 0.00 72.50 71.65 3f4i s THR 222 CO 0.00 -0.22 2.19 0.00 -0.54 0.00 0.00 174.62 176.05 3f4i h ALA 223 N 2.28 1.76 -0.55 3.99 0.00 -1.70 -0.72 119.26 124.32 3f4i h ALA 223 Ca -0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3f4i h ALA 223 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3f4i h ALA 223 CO 0.67 -0.08 0.34 0.00 0.00 0.00 0.00 179.25 180.18 3f4i h ALA 224 N 1.95 1.56 -0.29 0.00 0.00 -1.89 -0.98 119.26 119.61 3f4i h ALA 224 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3f4i h ALA 224 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3f4i h ALA 224 CO -0.00 0.39 0.02 -0.44 0.00 0.00 0.00 179.25 179.22 3f4i h ASP 225 N 0.75 0.40 -0.40 0.00 3.32 -1.50 -1.84 116.42 117.15 3f4i h ASP 225 Ca 0.20 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3f4i h ASP 225 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3f4i h ASP 225 CO -0.04 0.45 -0.12 1.23 -1.72 0.00 0.00 179.24 179.04 3f4i h GLY 226 N 0.72 0.85 1.10 2.75 0.00 -1.23 -2.19 103.07 105.08 3f4i h GLY 226 Ca 0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 3f4i h GLY 226 CO 0.00 0.65 0.26 1.41 0.00 0.00 0.00 176.54 178.86 3f4i h LEU 227 N 0.60 1.05 -0.75 3.11 3.38 -1.09 -2.37 115.31 119.24 3f4i h LEU 227 Ca 0.10 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3f4i h LEU 227 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3f4i h LEU 227 CO 0.04 0.96 -0.01 0.78 0.09 0.00 0.00 178.44 180.30 3f4i h ASN 228 N 1.09 0.92 -0.38 -0.43 2.35 -1.25 -1.04 115.58 116.84 3f4i h ASN 228 Ca 0.24 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3f4i h ASN 228 Cb 0.27 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3f4i h ASN 228 CO -0.01 0.99 0.13 0.15 -1.65 0.00 0.00 177.43 177.03 3f4i h PHE 229 N 0.87 0.66 0.05 1.19 3.57 -1.15 -2.45 116.94 119.68 3f4i h PHE 229 Ca 0.16 -0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.37 3f4i h PHE 229 Cb 0.53 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3f4i h PHE 229 CO 0.03 0.56 -1.19 1.25 -2.23 0.00 0.00 178.31 176.73 3f4i h LEU 230 N 0.65 0.18 -3.28 0.59 5.85 -0.99 -1.04 115.31 117.26 3f4i h LEU 230 Ca 0.15 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3f4i h LEU 230 Cb 0.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3f4i h LEU 230 CO -0.01 1.16 0.00 0.79 -0.34 0.00 0.00 178.44 180.05 3f4i n TRP 231 N -3.40 0.99 -3.73 1.25 7.02 -0.43 -2.38 117.44 116.76 3f4i n TRP 231 Ca -0.06 -0.96 -0.38 0.00 -1.02 0.00 0.00 57.50 55.08 3f4i n TRP 231 Cb 0.99 -0.34 -0.12 0.00 -2.42 0.00 0.00 31.31 29.41 3f4i n TRP 231 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3f4i s THR 232 N -2.88 3.93 0.62 -0.99 2.01 -0.93 -4.97 115.64 112.43 3f4i s THR 232 Ca 0.43 -1.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 3f4i s THR 232 Cb 0.35 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 3f4i s THR 232 CO 0.08 -0.15 1.25 -2.84 -0.69 0.00 0.00 174.62 172.26 3f4i s PRO 233 N 1.44 2.77 -0.43 4.92 0.02 -1.26 -3.79 135.00 138.66 3f4i s PRO 233 Ca -0.01 1.93 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3f4i s PRO 233 Cb -0.19 -1.89 0.15 0.00 0.02 0.00 0.00 34.50 32.59 3f4i s PRO 233 CO 0.03 -1.39 0.30 0.34 -0.33 0.00 0.00 177.00 175.95 3f4i s ASP 234 N -1.51 2.74 0.26 2.53 -1.08 -1.26 -4.85 116.67 113.50 3f4i s ASP 234 Ca 0.80 -2.80 0.18 0.00 -0.52 0.00 0.00 52.55 50.21 3f4i s ASP 234 Cb -0.34 -0.69 0.95 0.00 -1.46 0.00 0.00 42.92 41.38 3f4i s ASP 234 CO 0.36 -0.22 1.54 0.49 0.52 0.00 0.00 175.17 177.86 3f4i n PHE 235 N 3.26 0.59 1.45 -5.34 3.72 -1.26 -0.93 117.46 118.95 3f4i n PHE 235 Ca 0.19 0.31 0.12 0.00 -0.05 0.00 0.00 57.45 58.02 3f4i n PHE 235 Cb 0.40 -0.99 0.70 0.00 -0.94 0.00 0.00 39.48 38.65 3f4i n PHE 235 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3f4i n GLU 236 N -2.11 0.68 -0.00 -1.08 1.02 -1.26 -2.51 120.64 115.37 3f4i n GLU 236 Ca -0.01 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3f4i n GLU 236 Cb 0.03 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.84 3f4i n GLU 236 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3f4i n LYS 237 N -1.06 1.22 0.00 3.49 4.76 -0.11 -4.38 118.16 122.08 3f4i n LYS 237 Ca 0.17 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3f4i n LYS 237 Cb 0.11 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3f4i n LYS 237 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3f4i n LEU 238 N -1.67 0.00 0.00 -0.35 4.77 -1.05 -0.90 117.00 117.80 3f4i n LEU 238 Ca 0.00 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 3f4i n LEU 238 Cb 0.32 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 3f4i n LEU 238 CO 0.33 -0.45 -0.58 0.29 -1.33 0.00 0.00 177.39 175.65 3f4i n LYS 239 N -1.45 0.56 -2.51 3.23 4.01 -1.26 -4.89 118.16 115.85 3f4i n LYS 239 Ca 0.00 -0.14 -0.43 0.00 -0.51 0.00 0.00 58.31 57.23 3f4i n LYS 239 Cb 0.02 -1.54 -0.02 0.00 -0.51 0.00 0.00 35.03 32.98 3f4i n LYS 239 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3f4i s ASP 240 N -4.38 6.73 0.30 4.39 -1.08 -0.08 -4.91 116.67 117.63 3f4i s ASP 240 Ca -0.05 1.04 -0.01 0.00 -0.52 0.00 0.00 52.55 53.01 3f4i s ASP 240 Cb 0.14 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.52 3f4i s ASP 240 CO 0.89 -1.06 1.92 -0.65 0.52 0.00 0.00 175.17 176.79 3f4i h PRO 241 N 8.99 0.94 -0.99 4.34 0.11 -1.90 -2.82 132.00 140.67 3f4i h PRO 241 Ca -0.24 -0.11 0.12 0.00 0.11 0.00 0.00 66.00 65.88 3f4i h PRO 241 Cb 1.08 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.92 3f4i h PRO 241 CO 1.05 0.70 0.63 0.78 -0.21 0.00 0.00 178.00 180.95 3f4i h GLY 242 N 1.01 1.60 1.30 -0.55 0.00 -1.96 -1.10 103.07 103.37 3f4i h GLY 242 Ca 0.24 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3f4i h GLY 242 CO -0.04 0.17 -0.16 -2.08 0.00 0.00 0.00 176.54 174.44 3f4i h VAL 243 N 0.99 1.26 -0.47 4.60 2.07 -1.84 -1.29 116.25 121.57 3f4i h VAL 243 Ca 0.49 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 3f4i h VAL 243 Cb 0.48 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3f4i h VAL 243 CO -0.25 0.43 0.02 -0.50 0.02 0.00 0.00 177.57 177.28 3f4i h TRP 244 N 0.73 0.89 -0.70 1.57 4.06 -1.33 -0.41 115.95 120.77 3f4i h TRP 244 Ca 0.11 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 3f4i h TRP 244 Cb 0.66 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 3f4i h TRP 244 CO 0.04 0.85 0.39 0.82 -3.56 0.00 0.00 178.44 176.97 3f4i h ILE 245 N 0.68 1.21 -0.41 1.49 2.04 -1.06 -0.56 117.51 120.90 3f4i h ILE 245 Ca 0.14 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3f4i h ILE 245 Cb 0.48 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3f4i h ILE 245 CO 0.02 0.23 0.14 0.00 0.00 0.00 0.00 178.15 178.54 3f4i h ALA 246 N 1.20 0.54 -0.37 1.87 0.00 -1.05 -1.42 119.26 120.03 3f4i h ALA 246 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3f4i h ALA 246 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3f4i h ALA 246 CO -0.04 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.49 3f4i h ALA 247 N 0.99 0.48 -0.51 0.00 0.00 -0.74 -1.54 119.26 117.94 3f4i h ALA 247 Ca 0.13 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3f4i h ALA 247 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f4i h ALA 247 CO -0.01 0.13 -0.14 0.28 0.00 0.00 0.00 179.25 179.52 3f4i h VAL 248 N 0.44 1.27 -0.89 0.00 2.07 -1.09 -1.64 116.25 116.41 3f4i h VAL 248 Ca 0.12 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3f4i h VAL 248 Cb 0.27 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3f4i h VAL 248 CO -0.00 0.45 0.56 1.23 0.02 0.00 0.00 177.57 179.83 3f4i h GLY 249 N 0.94 1.27 1.17 2.17 0.00 -1.10 -1.72 103.07 105.81 3f4i h GLY 249 Ca 0.13 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3f4i h GLY 249 CO 0.05 0.49 -0.31 -1.61 0.00 0.00 0.00 176.54 175.16 3f4i h GLN 250 N 1.21 0.92 -0.18 4.80 5.75 -1.08 -1.47 115.11 125.06 3f4i h GLN 250 Ca 0.32 -0.44 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3f4i h GLN 250 Cb -0.09 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3f4i h GLN 250 CO -0.06 1.10 0.06 0.82 -2.65 0.00 0.00 178.83 178.09 3f4i h ILE 251 N 0.77 0.95 0.38 2.39 1.08 -1.01 0.43 117.51 122.51 3f4i h ILE 251 Ca 0.08 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3f4i h ILE 251 Cb 0.89 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 3f4i h ILE 251 CO 0.08 0.03 -0.26 -0.26 -0.69 0.00 0.00 178.15 177.05 3f4i h PHE 252 N 0.14 -0.68 -0.34 1.37 0.04 -1.25 -1.00 116.94 115.22 3f4i h PHE 252 Ca 0.08 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.87 3f4i h PHE 252 Cb 0.05 0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 3f4i h PHE 252 CO -0.12 -0.39 0.15 0.35 -0.60 0.00 0.00 178.31 177.69 3f4i h PHE 253 N -0.62 0.27 -0.47 -0.55 3.57 -1.06 -1.51 116.94 116.56 3f4i h PHE 253 Ca -0.04 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 3f4i h PHE 253 Cb 0.53 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3f4i h PHE 253 CO -0.11 0.13 -0.06 0.00 -2.23 0.00 0.00 178.31 176.04 3f4i h THR 254 N 0.31 1.25 -0.10 4.41 1.03 -0.06 -2.73 112.91 117.02 3f4i h THR 254 Ca 0.15 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.44 3f4i h THR 254 Cb 0.09 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.13 3f4i h THR 254 CO -0.12 0.39 0.00 0.18 -0.01 0.00 0.00 175.52 175.95 3f4i n LEU 255 N -4.18 1.59 -1.99 0.00 4.77 -0.39 -4.56 117.00 112.23 3f4i n LEU 255 Ca 0.02 -0.61 -0.17 0.00 -0.03 0.00 0.00 56.01 55.22 3f4i n LEU 255 Cb 0.34 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3f4i n LEU 255 CO 0.43 0.30 -0.19 -1.20 -1.33 0.00 0.00 177.39 175.40 3f4i n SER 256 N 0.25 -5.01 -4.78 -1.43 7.64 -0.79 -4.76 113.62 104.74 3f4i n SER 256 Ca 0.17 -0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.62 3f4i n SER 256 Cb 0.34 -4.08 -0.06 0.00 -1.01 0.00 0.00 64.21 59.40 3f4i n SER 256 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3f4i s LEU 257 N -4.93 4.44 0.00 -3.43 1.43 -0.64 -3.76 118.68 111.79 3f4i s LEU 257 Ca 0.03 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 3f4i s LEU 257 Cb -0.01 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.31 3f4i s LEU 257 CO 0.04 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3f4i n GLY 258 N 2.25 0.76 0.00 -3.19 0.00 -1.26 -4.66 105.19 99.10 3f4i n GLY 258 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3f4i n GLY 258 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f4i n PHE 259 N -2.33 0.00 -0.46 1.61 3.72 -1.25 -4.44 117.46 114.31 3f4i n PHE 259 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3f4i n PHE 259 Cb 0.00 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 3f4i n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f4i n GLY 260 N 1.50 1.98 0.20 1.37 0.00 -1.26 -3.81 105.19 105.17 3f4i n GLY 260 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3f4i n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4i h ALA 261 N 0.00 0.15 -0.44 4.61 0.00 -1.86 -2.44 119.26 119.28 3f4i h ALA 261 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 3f4i h ALA 261 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3f4i h ALA 261 CO 0.00 0.69 -0.30 0.82 0.00 0.00 0.00 179.25 180.46 3f4i h ILE 262 N 0.42 1.27 -0.21 0.00 1.08 -1.90 -2.36 117.51 115.81 3f4i h ILE 262 Ca -0.12 -1.47 0.02 0.00 -0.39 0.00 0.00 64.86 62.90 3f4i h ILE 262 Cb 1.66 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 3f4i h ILE 262 CO 0.20 0.50 0.09 0.40 -0.69 0.00 0.00 178.15 178.65 3f4i h ILE 263 N 0.81 0.97 -0.57 -0.67 2.04 -1.72 -0.70 117.51 117.66 3f4i h ILE 263 Ca 0.09 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3f4i h ILE 263 Cb 0.89 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3f4i h ILE 263 CO 0.08 0.04 0.14 0.74 0.00 0.00 0.00 178.15 179.14 3f4i h THR 264 N 0.19 1.25 -0.55 -0.27 2.02 -1.38 -1.73 112.91 112.44 3f4i h THR 264 Ca 0.09 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3f4i h THR 264 Cb 0.04 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3f4i h THR 264 CO -0.08 0.33 0.27 1.88 0.37 0.00 0.00 175.52 178.30 3f4i h TYR 265 N 0.83 0.78 0.00 3.16 -1.99 -1.31 -2.62 116.97 115.82 3f4i h TYR 265 Ca 0.18 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3f4i h TYR 265 Cb 0.35 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.84 3f4i h TYR 265 CO 0.02 0.60 0.00 0.00 -0.00 0.00 0.00 178.16 178.78 3f4i h ALA 266 N 1.11 1.00 0.00 3.88 0.00 -0.83 -2.18 119.26 122.24 3f4i h ALA 266 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3f4i h ALA 266 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3f4i h ALA 266 CO -0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 3f4i n SER 267 N -2.98 0.00 -0.81 0.00 3.41 -0.68 -1.65 113.62 110.91 3f4i n SER 267 Ca -0.00 0.20 0.09 0.00 -0.26 0.00 0.00 58.87 58.89 3f4i n SER 267 Cb 0.22 -0.35 0.14 0.00 -0.26 0.00 0.00 64.21 63.95 3f4i n SER 267 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3f4i n TYR 268 N -1.35 0.28 -2.81 7.33 4.01 -0.82 -4.27 117.16 119.54 3f4i n TYR 268 Ca 0.06 -0.19 -0.41 0.00 -0.16 0.00 0.00 57.90 57.20 3f4i n TYR 268 Cb 0.14 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 3f4i n TYR 268 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3f4i s VAL 269 N -1.27 4.59 0.56 -0.72 1.01 -0.66 -2.25 120.40 121.66 3f4i s VAL 269 Ca 0.26 1.93 -0.21 0.00 0.00 0.00 0.00 61.98 63.96 3f4i s VAL 269 Cb 0.16 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3f4i s VAL 269 CO 0.23 0.32 1.33 0.54 0.00 0.00 0.00 175.10 177.52 3f4i n ARG 270 N 2.86 1.60 -0.30 2.72 1.74 -1.26 -4.84 116.66 119.18 3f4i n ARG 270 Ca 0.01 0.59 0.23 0.00 -0.77 0.00 0.00 57.85 57.91 3f4i n ARG 270 Cb 0.50 -2.55 0.52 0.00 -1.02 0.00 0.00 32.46 29.91 3f4i n ARG 270 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3f4i h LYS 271 N 1.31 0.37 0.00 5.56 3.64 -1.95 -1.27 116.57 124.22 3f4i h LYS 271 Ca -0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3f4i h LYS 271 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3f4i h LYS 271 CO 0.56 0.24 -1.25 -0.40 -2.27 0.00 0.00 179.45 176.33 3f4i n ASP 272 N -4.57 0.57 -4.77 4.20 5.75 -1.26 -4.97 116.55 111.50 3f4i n ASP 272 Ca 0.24 -0.36 -0.39 0.00 -0.01 0.00 0.00 54.79 54.27 3f4i n ASP 272 Cb 0.85 1.13 0.00 0.00 -1.03 0.00 0.00 41.12 42.08 3f4i n ASP 272 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3f4i s GLN 273 N -3.23 3.85 0.37 0.11 0.74 -0.48 -4.42 119.66 116.60 3f4i s GLN 273 Ca 0.02 2.17 -0.28 0.00 0.05 0.00 0.00 55.36 57.32 3f4i s GLN 273 Cb 0.15 -2.68 -0.11 0.00 1.10 0.00 0.00 33.01 31.46 3f4i s GLN 273 CO 0.85 -0.59 1.48 -3.47 -0.55 0.00 0.00 175.29 173.00 3f4i n ASP 274 N -0.04 3.71 0.00 6.67 2.03 -1.22 -4.83 116.55 122.87 3f4i n ASP 274 Ca 0.05 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.58 3f4i n ASP 274 Cb 0.44 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 3f4i n ASP 274 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3f4i n ILE 275 N 0.55 0.00 0.13 5.18 -5.35 -1.26 -4.62 119.36 113.99 3f4i n ILE 275 Ca 0.02 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 3f4i n ILE 275 Cb 0.38 0.80 -0.08 0.00 -1.74 0.00 0.00 39.64 39.00 3f4i n ILE 275 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3f4i h VAL 276 N 0.00 0.69 -0.07 7.28 2.07 -1.86 -0.47 116.25 123.89 3f4i h VAL 276 Ca 0.00 -0.77 -0.22 0.00 0.82 0.00 0.00 66.70 66.53 3f4i h VAL 276 Cb 0.00 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3f4i h VAL 276 CO 0.00 0.14 -0.85 0.25 0.02 0.00 0.00 177.57 177.13 3f4i h LEU 277 N -0.83 0.69 -0.04 2.57 5.85 -1.88 -2.19 115.31 119.48 3f4i h LEU 277 Ca -0.04 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 3f4i h LEU 277 Cb 0.51 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3f4i h LEU 277 CO 0.06 1.28 0.02 0.28 -0.34 0.00 0.00 178.44 179.73 3f4i h SER 278 N 0.36 0.06 -0.10 1.25 0.02 -1.82 0.22 113.55 113.53 3f4i h SER 278 Ca -0.07 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3f4i h SER 278 Cb 1.47 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.96 3f4i h SER 278 CO 0.16 0.22 -0.07 1.23 -1.14 0.00 0.00 176.83 177.23 3f4i h GLY 279 N -0.11 0.02 1.04 -3.77 0.00 -1.12 -1.00 103.07 98.13 3f4i h GLY 279 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3f4i h GLY 279 CO -0.00 -0.09 0.58 -2.00 0.00 0.00 0.00 176.54 175.03 3f4i h LEU 280 N -0.08 0.97 -0.23 3.11 5.85 -1.32 -1.51 115.31 122.09 3f4i h LEU 280 Ca 0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3f4i h LEU 280 Cb 0.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3f4i h LEU 280 CO -0.15 0.67 -0.04 0.74 -0.34 0.00 0.00 178.44 179.32 3f4i h THR 281 N 1.13 1.28 -0.42 1.05 2.02 -0.42 -0.57 112.91 116.97 3f4i h THR 281 Ca 0.34 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3f4i h THR 281 Cb -0.02 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3f4i h THR 281 CO -0.10 0.31 0.28 0.00 0.37 0.00 0.00 175.52 176.39 3f4i h ALA 282 N 0.77 0.54 -0.56 6.16 0.00 -0.96 -0.44 119.26 124.77 3f4i h ALA 282 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f4i h ALA 282 Cb 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3f4i h ALA 282 CO 0.02 -0.01 0.35 0.00 0.00 0.00 0.00 179.25 179.61 3f4i h ALA 283 N 1.16 0.71 -0.59 0.00 0.00 -1.17 -1.92 119.26 117.44 3f4i h ALA 283 Ca 0.16 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3f4i h ALA 283 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3f4i h ALA 283 CO -0.04 0.17 -0.05 1.15 0.00 0.00 0.00 179.25 180.49 3f4i h THR 284 N 0.75 1.27 -0.62 0.00 2.02 -0.85 -2.09 112.91 113.39 3f4i h THR 284 Ca 0.20 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.18 3f4i h THR 284 Cb -0.04 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3f4i h THR 284 CO -0.04 0.44 0.41 -0.07 0.37 0.00 0.00 175.52 176.62 3f4i h LEU 285 N 0.96 0.70 -0.29 2.58 3.38 -0.88 -1.50 115.31 120.26 3f4i h LEU 285 Ca 0.16 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3f4i h LEU 285 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3f4i h LEU 285 CO 0.04 0.50 0.15 -1.13 0.09 0.00 0.00 178.44 178.09 3f4i h ASN 286 N 0.83 0.22 -0.45 -0.43 -1.24 -1.12 -1.44 115.58 111.95 3f4i h ASN 286 Ca 0.23 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 3f4i h ASN 286 Cb -0.08 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3f4i h ASN 286 CO -0.06 0.17 0.16 -0.33 -1.29 0.00 0.00 177.43 176.08 3f4i h GLU 287 N 0.31 0.75 -0.24 6.67 4.39 -1.05 0.48 114.58 125.90 3f4i h GLU 287 Ca 0.12 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3f4i h GLU 287 Cb 0.03 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3f4i h GLU 287 CO -0.08 0.66 0.06 0.87 -1.16 0.00 0.00 179.01 179.36 3f4i h LYS 288 N 0.74 0.38 -0.11 2.33 1.57 -1.04 -0.10 116.57 120.35 3f4i h LYS 288 Ca 0.17 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3f4i h LYS 288 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3f4i h LYS 288 CO -0.01 0.49 -0.08 0.00 -0.57 0.00 0.00 179.45 179.28 3f4i h ALA 289 N 0.88 1.67 0.06 3.86 0.00 -0.73 -1.50 119.26 123.49 3f4i h ALA 289 Ca 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3f4i h ALA 289 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3f4i h ALA 289 CO 0.00 0.25 -0.03 1.49 0.00 0.00 0.00 179.25 180.96 3f4i h GLU 290 N 0.15 -0.07 0.03 0.00 4.81 -0.65 0.18 114.58 119.03 3f4i h GLU 290 Ca 0.03 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 3f4i h GLU 290 Cb 0.25 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3f4i h GLU 290 CO 0.01 0.08 -1.08 -0.39 -0.73 0.00 0.00 179.01 176.91 3f4i h VAL 291 N -1.01 1.64 0.05 0.32 -1.51 -1.08 0.23 116.25 114.90 3f4i h VAL 291 Ca -0.01 -3.32 -0.30 0.00 -1.23 0.00 0.00 66.70 61.84 3f4i h VAL 291 Cb 0.19 2.87 -0.03 0.00 -2.13 0.00 0.00 31.29 32.19 3f4i h VAL 291 CO 0.01 0.95 -1.66 -0.38 -1.23 0.00 0.00 177.57 175.26 3f4i n ILE 292 N -3.39 1.64 -0.05 7.19 5.41 -0.58 -3.81 119.36 125.76 3f4i n ILE 292 Ca -0.03 -0.32 -0.03 0.00 1.00 0.00 0.00 62.75 63.38 3f4i n ILE 292 Cb 0.96 -1.89 -0.01 0.00 -0.71 0.00 0.00 39.64 37.99 3f4i n ILE 292 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3f4i h LEU 293 N -0.53 0.00 -0.86 1.39 3.38 -1.41 -3.23 115.31 114.05 3f4i h LEU 293 Ca -0.40 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3f4i h LEU 293 Cb 1.64 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 3f4i h LEU 293 CO -0.09 0.56 0.56 1.23 0.09 0.00 0.00 178.44 180.79 3f4i h GLY 294 N -0.81 1.24 2.00 0.83 0.00 -0.36 -2.14 103.07 103.83 3f4i h GLY 294 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3f4i h GLY 294 CO 0.00 0.40 -0.17 -1.33 0.00 0.00 0.00 176.54 175.43 3f4i h GLY 295 N 1.12 0.00 -1.96 4.60 0.00 -0.65 -3.18 103.07 103.00 3f4i h GLY 295 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3f4i h GLY 295 CO -0.10 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.88 3f4i n SER 296 N -3.55 3.05 0.00 0.19 7.64 -0.82 -4.42 113.62 115.71 3f4i n SER 296 Ca -0.01 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.92 3f4i n SER 296 Cb 0.32 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3f4i n SER 296 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3f4i n ILE 297 N 1.28 0.00 -0.01 0.44 5.41 -1.13 -4.61 119.36 120.73 3f4i n ILE 297 Ca 0.17 0.47 -0.13 0.00 1.00 0.00 0.00 62.75 64.26 3f4i n ILE 297 Cb 0.57 -1.47 -0.09 0.00 -0.71 0.00 0.00 39.64 37.94 3f4i n ILE 297 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3f4i h SER 298 N 0.00 0.05 0.24 4.38 0.02 -1.83 -2.78 113.55 113.62 3f4i h SER 298 Ca 0.00 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3f4i h SER 298 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3f4i h SER 298 CO 0.00 0.42 -0.11 0.40 -1.14 0.00 0.00 176.83 176.40 3f4i h ILE 299 N -0.32 0.81 -0.88 3.27 1.08 -1.85 -1.52 117.51 118.10 3f4i h ILE 299 Ca 0.01 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3f4i h ILE 299 Cb 0.40 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 3f4i h ILE 299 CO 0.00 0.05 0.58 -0.65 -0.69 0.00 0.00 178.15 177.45 3f4i h PRO 300 N -0.43 1.13 -0.33 2.37 0.11 -1.79 0.47 132.00 133.53 3f4i h PRO 300 Ca -0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3f4i h PRO 300 Cb 0.33 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3f4i h PRO 300 CO 0.05 0.75 0.15 0.00 -0.21 0.00 0.00 178.00 178.75 3f4i h ALA 301 N 1.46 0.42 -0.28 -0.75 0.00 -1.36 0.20 119.26 118.95 3f4i h ALA 301 Ca 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3f4i h ALA 301 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3f4i h ALA 301 CO -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.13 3f4i h ALA 302 N 1.01 0.38 -0.66 0.00 0.00 -0.89 -2.66 119.26 116.45 3f4i h ALA 302 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3f4i h ALA 302 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3f4i h ALA 302 CO -0.01 0.16 0.16 0.28 0.00 0.00 0.00 179.25 179.84 3f4i h VAL 303 N 0.29 1.26 -0.69 0.00 2.07 -0.86 0.15 116.25 118.46 3f4i h VAL 303 Ca 0.07 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3f4i h VAL 303 Cb 0.50 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3f4i h VAL 303 CO 0.02 0.36 0.37 0.00 0.02 0.00 0.00 177.57 178.34 3f4i h ALA 304 N 1.06 0.94 0.00 1.67 0.00 -0.88 0.55 119.26 122.61 3f4i h ALA 304 Ca 0.21 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 3f4i h ALA 304 Cb 0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3f4i h ALA 304 CO 0.00 0.02 -1.40 0.74 0.00 0.00 0.00 179.25 178.62 3f4i h PHE 305 N 0.67 0.00 0.00 0.00 -1.00 -1.23 -3.02 116.94 112.35 3f4i h PHE 305 Ca 0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 3f4i h PHE 305 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 3f4i h PHE 305 CO -0.09 0.93 -0.32 1.19 -1.61 0.00 0.00 178.31 178.41 3f4i n PHE 306 N -3.13 0.00 0.00 -0.55 3.72 0.52 -4.74 117.46 113.28 3f4i n PHE 306 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3f4i n PHE 306 Cb 0.98 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3f4i n PHE 306 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f4i n GLY 307 N 1.42 -1.77 0.29 1.37 0.00 0.19 -4.25 105.19 102.44 3f4i n GLY 307 Ca 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3f4i n GLY 307 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f4i h VAL 308 N 0.00 0.49 -0.73 1.61 2.07 -1.90 -1.95 116.25 115.85 3f4i h VAL 308 Ca 0.00 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.53 3f4i h VAL 308 Cb 0.00 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 3f4i h VAL 308 CO 0.00 0.02 0.30 0.00 0.02 0.00 0.00 177.57 177.91 3f4i h ALA 309 N -0.28 1.01 -0.26 1.67 0.00 -1.98 0.72 119.26 120.14 3f4i h ALA 309 Ca -0.07 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3f4i h ALA 309 Cb 0.55 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3f4i h ALA 309 CO 0.11 -0.18 -0.51 -0.91 0.00 0.00 0.00 179.25 177.76 3f4i h ASN 310 N 0.46 0.80 -0.27 0.00 2.35 -1.73 -2.34 115.58 114.86 3f4i h ASN 310 Ca 0.39 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3f4i h ASN 310 Cb 0.55 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3f4i h ASN 310 CO -0.37 1.16 0.15 0.00 -1.65 0.00 0.00 177.43 176.72 3f4i h ALA 311 N 0.86 0.34 -0.81 -0.83 0.00 -0.38 0.06 119.26 118.49 3f4i h ALA 311 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3f4i h ALA 311 Cb 1.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3f4i h ALA 311 CO 0.11 -0.14 0.53 0.28 0.00 0.00 0.00 179.25 180.03 3f4i h VAL 312 N 0.32 1.16 -0.81 0.00 2.07 -0.89 -0.25 116.25 117.86 3f4i h VAL 312 Ca 0.09 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3f4i h VAL 312 Cb 0.05 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 3f4i h VAL 312 CO -0.02 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.10 3f4i h ALA 313 N 1.32 1.06 -0.62 1.67 0.00 -1.03 -1.06 119.26 120.59 3f4i h ALA 313 Ca 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3f4i h ALA 313 Cb -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3f4i h ALA 313 CO -0.09 0.67 0.34 0.82 0.00 0.00 0.00 179.25 180.99 3f4i h ILE 314 N 1.18 1.20 -0.85 0.00 2.04 -0.35 -1.88 117.51 118.84 3f4i h ILE 314 Ca 0.27 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3f4i h ILE 314 Cb 0.21 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3f4i h ILE 314 CO -0.02 0.22 0.48 0.00 0.00 0.00 0.00 178.15 178.82 3f4i h ALA 315 N 1.16 1.09 0.00 1.87 0.00 -0.38 -1.54 119.26 121.46 3f4i h ALA 315 Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3f4i h ALA 315 Cb 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3f4i h ALA 315 CO -0.04 0.58 -0.00 0.87 0.00 0.00 0.00 179.25 180.67 3f4i h LYS 316 N 1.18 0.00 -0.60 0.00 1.57 -1.06 -3.31 116.57 114.36 3f4i h LYS 316 Ca 0.30 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3f4i h LYS 316 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 3f4i h LYS 316 CO -0.05 0.00 0.32 0.00 -0.57 0.00 0.00 179.45 179.15 3f4i h ALA 317 N 2.00 0.78 -2.48 3.86 0.00 -0.43 -3.46 119.26 119.52 3f4i h ALA 317 Ca -0.00 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3f4i h ALA 317 Cb 0.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3f4i h ALA 317 CO 0.00 -0.01 0.55 0.41 0.00 0.00 0.00 179.25 180.20 3f4i n GLY 318 N -1.27 0.64 0.12 0.00 0.00 -1.25 -5.01 105.19 98.43 3f4i n GLY 318 Ca 0.07 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 45.03 3f4i n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4i h ALA 319 N 2.00 0.60 -0.00 4.61 0.00 -1.90 -3.38 119.26 121.19 3f4i h ALA 319 Ca -0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3f4i h ALA 319 Cb 1.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3f4i h ALA 319 CO 0.34 0.28 -0.36 1.19 0.00 0.00 0.00 179.25 180.70 3f4i n PHE 320 N -2.81 0.00 -0.13 0.00 3.01 -1.26 -4.66 117.46 111.61 3f4i n PHE 320 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.38 3f4i n PHE 320 Cb 0.63 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.13 3f4i n PHE 320 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3f4i h ASN 321 N 0.24 0.27 -0.20 4.37 -0.26 -1.90 -0.58 115.58 117.52 3f4i h ASN 321 Ca 0.00 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 3f4i h ASN 321 Cb 0.23 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 3f4i h ASN 321 CO 0.00 0.20 0.01 0.25 -1.06 0.00 0.00 177.43 176.83 3f4i h LEU 322 N 0.40 0.34 0.09 1.61 5.85 -1.83 0.17 115.31 121.94 3f4i h LEU 322 Ca 0.18 -0.29 -0.26 0.00 0.84 0.00 0.00 57.88 58.35 3f4i h LEU 322 Cb 0.10 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3f4i h LEU 322 CO -0.14 0.54 -1.22 1.23 -0.34 0.00 0.00 178.44 178.52 3f4i h GLY 323 N 0.12 0.23 0.00 3.75 0.00 -1.82 -0.55 103.07 104.80 3f4i h GLY 323 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3f4i h GLY 323 CO 0.01 0.51 -1.38 0.69 0.00 0.00 0.00 176.54 176.36 3f4i n PHE 324 N -3.47 0.00 0.04 5.60 3.72 -0.24 -4.57 117.46 118.54 3f4i n PHE 324 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 3f4i n PHE 324 Cb 1.01 -0.24 -0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3f4i n PHE 324 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3f4i n ILE 325 N -1.82 1.24 0.09 4.37 5.41 -0.77 -4.74 119.36 123.14 3f4i n ILE 325 Ca -0.01 0.38 -0.13 0.00 1.00 0.00 0.00 62.75 63.99 3f4i n ILE 325 Cb 0.35 -1.66 -0.08 0.00 -0.71 0.00 0.00 39.64 37.54 3f4i n ILE 325 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3f4i h THR 326 N -0.09 0.94 -0.31 1.39 2.02 -0.70 -2.10 112.91 114.05 3f4i h THR 326 Ca -0.00 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.49 3f4i h THR 326 Cb 0.11 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3f4i h THR 326 CO -0.00 0.16 0.18 0.25 0.37 0.00 0.00 175.52 176.47 3f4i h LEU 327 N -0.59 0.29 -1.17 2.58 5.85 -1.33 0.34 115.31 121.28 3f4i h LEU 327 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3f4i h LEU 327 Cb 0.44 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3f4i h LEU 327 CO 0.04 0.21 0.02 1.55 -0.34 0.00 0.00 178.44 179.92 3f4i h PRO 328 N 0.37 0.60 -0.47 5.25 0.13 -1.80 -0.76 132.00 135.32 3f4i h PRO 328 Ca 0.12 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3f4i h PRO 328 Cb 0.01 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.03 3f4i h PRO 328 CO -0.06 0.60 0.16 0.00 -0.23 0.00 0.00 178.00 178.47 3f4i h ALA 329 N 1.46 0.61 -0.21 -0.56 0.00 -0.72 -1.27 119.26 118.57 3f4i h ALA 329 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3f4i h ALA 329 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3f4i h ALA 329 CO 0.01 0.25 0.14 0.82 0.00 0.00 0.00 179.25 180.46 3f4i h ILE 330 N 0.62 1.06 -0.65 0.00 2.04 -0.66 -2.77 117.51 117.14 3f4i h ILE 330 Ca 0.15 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3f4i h ILE 330 Cb 0.24 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3f4i h ILE 330 CO -0.01 0.06 0.43 -0.26 0.00 0.00 0.00 178.15 178.37 3f4i h PHE 331 N 0.28 0.69 0.00 1.37 0.04 -0.95 -1.99 116.94 116.39 3f4i h PHE 331 Ca 0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3f4i h PHE 331 Cb -0.02 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 37.90 3f4i h PHE 331 CO -0.06 0.39 0.00 -1.13 -0.60 0.00 0.00 178.31 176.91 3f4i n SER 332 N -4.47 0.26 -0.65 2.17 3.41 -0.49 -1.20 113.62 112.64 3f4i n SER 332 Ca 0.09 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 3f4i n SER 332 Cb 0.19 -0.64 0.38 0.00 -0.26 0.00 0.00 64.21 63.88 3f4i n SER 332 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f4i n GLN 333 N -1.83 1.88 -4.40 4.33 1.13 -0.75 -4.89 117.38 112.86 3f4i n GLN 333 Ca 0.01 -1.30 -0.28 0.00 -1.94 0.00 0.00 57.00 53.49 3f4i n GLN 333 Cb 0.09 -1.45 -0.13 0.00 0.11 0.00 0.00 30.24 28.86 3f4i n GLN 333 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3f4i s THR 334 N -1.88 2.29 0.20 5.09 -4.23 -0.34 -5.07 115.64 111.70 3f4i s THR 334 Ca 0.35 -1.82 -0.32 0.00 -1.18 0.00 0.00 61.69 58.72 3f4i s THR 334 Cb 0.20 -2.03 -0.11 0.00 1.34 0.00 0.00 72.50 71.89 3f4i s THR 334 CO 0.30 0.04 1.64 0.00 -0.54 0.00 0.00 174.62 176.06 3f4i s ALA 335 N -1.21 3.85 -0.57 3.99 0.00 -1.26 -1.20 121.76 125.36 3f4i s ALA 335 Ca 0.16 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3f4i s ALA 335 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3f4i s ALA 335 CO 0.07 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3f4i n GLY 336 N 3.71 0.78 0.21 0.00 0.00 -1.26 -4.92 105.19 103.72 3f4i n GLY 336 Ca 0.14 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.68 3f4i n GLY 336 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f4i h GLY 337 N 0.00 0.00 1.06 -0.02 0.00 -1.29 -1.62 103.07 101.21 3f4i h GLY 337 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3f4i h GLY 337 CO 0.16 0.00 -0.28 -0.84 0.00 0.00 0.00 176.54 175.58 3f4i h THR 338 N 0.00 1.28 -0.17 4.70 2.02 -1.82 -1.02 112.91 117.89 3f4i h THR 338 Ca -0.00 -1.44 -0.12 0.00 0.77 0.00 0.00 66.41 65.62 3f4i h THR 338 Cb 0.61 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3f4i h THR 338 CO 0.04 0.48 -0.40 0.15 0.37 0.00 0.00 175.52 176.16 3f4i h PHE 339 N 0.68 0.46 -0.44 3.16 3.57 -1.75 -1.68 116.94 120.96 3f4i h PHE 339 Ca 0.08 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3f4i h PHE 339 Cb 0.86 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3f4i h PHE 339 CO 0.06 0.74 0.06 1.25 -2.23 0.00 0.00 178.31 178.19 3f4i h LEU 340 N 0.33 0.64 -0.57 0.59 5.85 -1.15 -1.07 115.31 119.93 3f4i h LEU 340 Ca 0.03 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3f4i h LEU 340 Cb 0.85 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3f4i h LEU 340 CO 0.07 0.67 0.25 1.23 -0.34 0.00 0.00 178.44 180.32 3f4i h GLY 341 N 0.90 0.89 0.81 3.75 0.00 -0.73 -1.60 103.07 107.09 3f4i h GLY 341 Ca 0.14 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.05 3f4i h GLY 341 CO 0.01 0.43 0.36 -2.75 0.00 0.00 0.00 176.54 174.59 3f4i h PHE 342 N 0.77 0.66 -0.80 5.60 3.57 -0.76 -1.59 116.94 124.40 3f4i h PHE 342 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3f4i h PHE 342 Cb 0.15 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3f4i h PHE 342 CO 0.00 0.36 0.32 -0.07 -2.23 0.00 0.00 178.31 176.69 3f4i h LEU 343 N 0.69 1.11 -0.02 0.59 3.38 -0.92 0.11 115.31 120.24 3f4i h LEU 343 Ca 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3f4i h LEU 343 Cb 0.07 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3f4i h LEU 343 CO -0.13 0.98 0.01 -0.25 0.09 0.00 0.00 178.44 179.14 3f4i h TRP 344 N 1.17 0.03 0.00 1.13 2.91 -0.97 -0.20 115.95 120.00 3f4i h TRP 344 Ca 0.27 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.17 3f4i h TRP 344 Cb 0.22 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 3f4i h TRP 344 CO 0.02 0.09 -0.55 0.74 -1.03 0.00 0.00 178.44 177.70 3f4i h PHE 345 N -0.04 0.00 -0.39 2.65 0.04 -1.10 -1.16 116.94 116.94 3f4i h PHE 345 Ca 0.01 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3f4i h PHE 345 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3f4i h PHE 345 CO -0.05 0.55 -0.07 0.35 -0.60 0.00 0.00 178.31 178.49 3f4i h PHE 346 N 0.00 0.82 -0.26 -0.55 3.57 -0.67 -0.51 116.94 119.34 3f4i h PHE 346 Ca -0.01 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.36 3f4i h PHE 346 Cb 1.01 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 3f4i h PHE 346 CO 0.00 0.86 0.04 1.25 -2.23 0.00 0.00 178.31 178.23 3f4i h LEU 347 N 0.54 -0.02 -0.92 0.59 5.85 -0.80 -1.90 115.31 118.65 3f4i h LEU 347 Ca 0.10 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3f4i h LEU 347 Cb 0.58 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3f4i h LEU 347 CO 0.03 0.02 0.61 -0.07 -0.34 0.00 0.00 178.44 178.70 3f4i h LEU 348 N 0.13 1.04 -0.13 2.25 3.38 -1.06 -0.96 115.31 119.97 3f4i h LEU 348 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3f4i h LEU 348 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3f4i h LEU 348 CO -0.17 0.75 0.05 0.15 0.09 0.00 0.00 178.44 179.31 3f4i h PHE 349 N 1.23 0.19 -0.65 1.13 3.57 -0.74 0.52 116.94 122.19 3f4i h PHE 349 Ca 0.35 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3f4i h PHE 349 Cb -0.10 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3f4i h PHE 349 CO -0.01 0.28 0.20 0.74 -2.23 0.00 0.00 178.31 177.29 3f4i h PHE 350 N 0.06 1.01 -0.10 0.41 -1.00 -1.19 0.45 116.94 116.58 3f4i h PHE 350 Ca 0.04 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 3f4i h PHE 350 Cb 0.16 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 3f4i h PHE 350 CO -0.02 0.81 0.06 0.00 -1.61 0.00 0.00 178.31 177.55 3f4i h ALA 351 N 1.26 0.12 -0.25 2.45 0.00 -0.94 -2.24 119.26 119.67 3f4i h ALA 351 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3f4i h ALA 351 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3f4i h ALA 351 CO -0.01 -0.37 0.13 0.78 0.00 0.00 0.00 179.25 179.78 3f4i h GLY 352 N 0.10 0.37 1.00 0.00 0.00 0.59 -3.15 103.07 101.99 3f4i h GLY 352 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3f4i h GLY 352 CO -0.01 0.16 0.36 -2.00 0.00 0.00 0.00 176.54 175.06 3f4i h LEU 353 N 0.28 0.63 -1.13 3.11 5.85 -0.05 0.48 115.31 124.49 3f4i h LEU 353 Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3f4i h LEU 353 Cb 0.08 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3f4i h LEU 353 CO -0.01 0.47 0.00 0.71 -0.34 0.00 0.00 178.44 179.26 3f4i h THR 354 N 0.74 0.00 0.08 1.05 1.35 -1.45 -2.43 112.91 112.25 3f4i h THR 354 Ca 0.20 -0.34 -0.33 0.00 -0.55 0.00 0.00 66.41 65.38 3f4i h THR 354 Cb -0.08 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.51 3f4i h THR 354 CO -0.04 0.00 -1.85 0.28 -0.25 0.00 0.00 175.52 173.65 3f4i h SER 355 N 0.00 0.26 0.57 5.36 0.02 -1.23 -3.33 113.55 115.20 3f4i h SER 355 Ca 0.00 -0.57 -0.15 0.00 -0.84 0.00 0.00 61.79 60.23 3f4i h SER 355 Cb 0.41 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3f4i h SER 355 CO 0.00 1.51 -0.69 0.77 -1.14 0.00 0.00 176.83 177.28 3f4i h SER 356 N 0.05 0.12 0.02 3.07 4.64 -0.71 -1.80 113.55 118.94 3f4i h SER 356 Ca -0.36 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3f4i h SER 356 Cb 2.03 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 64.07 3f4i h SER 356 CO 0.09 0.77 -0.23 0.16 -0.87 0.00 0.00 176.83 176.76 3f4i h ILE 357 N 0.07 1.24 -0.53 0.95 3.07 -1.62 -2.40 117.51 118.29 3f4i h ILE 357 Ca -0.01 -1.13 -0.11 0.00 1.55 0.00 0.00 64.86 65.16 3f4i h ILE 357 Cb 1.22 1.35 -0.02 0.00 -0.27 0.00 0.00 36.82 39.10 3f4i h ILE 357 CO 0.10 0.35 -0.10 0.00 -1.05 0.00 0.00 178.15 177.45 3f4i h ALA 358 N 1.45 0.72 0.00 0.16 0.00 -1.56 -2.86 119.26 117.17 3f4i h ALA 358 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3f4i h ALA 358 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3f4i h ALA 358 CO 0.04 0.63 0.00 -0.84 0.00 0.00 0.00 179.25 179.08 3f4i h ILE 359 N 0.87 0.00 0.00 0.00 3.07 -1.12 -3.13 117.51 117.20 3f4i h ILE 359 Ca 0.14 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.89 3f4i h ILE 359 Cb 0.66 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 3f4i h ILE 359 CO 0.05 0.00 -1.01 0.23 -1.05 0.00 0.00 178.15 176.37 3f4i n MET 360 N -2.69 0.33 0.16 0.16 2.81 -0.92 -4.33 117.12 112.65 3f4i n MET 360 Ca 0.04 0.01 0.03 0.00 -1.81 0.00 0.00 57.70 55.97 3f4i n MET 360 Cb 0.43 -1.62 0.40 0.00 -0.71 0.00 0.00 33.22 31.71 3f4i n MET 360 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3f4i h GLN 361 N 0.00 0.11 -0.50 0.03 5.75 -1.44 -2.70 115.11 116.37 3f4i h GLN 361 Ca 0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3f4i h GLN 361 Cb 0.77 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 3f4i h GLN 361 CO 0.00 0.34 0.29 -1.35 -2.65 0.00 0.00 178.83 175.46 3f4i h PRO 362 N 0.11 0.68 -0.85 -2.39 0.11 -1.75 0.44 132.00 128.35 3f4i h PRO 362 Ca 0.02 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3f4i h PRO 362 Cb 0.47 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3f4i h PRO 362 CO 0.03 0.51 0.40 1.98 -0.21 0.00 0.00 178.00 180.72 3f4i h MET 363 N 0.66 1.23 -0.26 1.05 1.85 -1.80 -0.72 114.93 116.94 3f4i h MET 363 Ca 0.18 -0.19 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 3f4i h MET 363 Cb 0.02 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 31.82 3f4i h MET 363 CO -0.03 0.95 0.07 0.82 -0.40 0.00 0.00 176.91 178.32 3f4i h ILE 364 N 1.21 1.21 -0.81 1.77 2.04 -1.12 -2.06 117.51 119.76 3f4i h ILE 364 Ca 0.29 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3f4i h ILE 364 Cb 0.13 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3f4i h ILE 364 CO -0.04 0.22 0.45 0.00 0.00 0.00 0.00 178.15 178.79 3f4i h ALA 365 N 0.90 1.03 -0.46 1.87 0.00 0.08 -1.31 119.26 121.38 3f4i h ALA 365 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3f4i h ALA 365 Cb 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3f4i h ALA 365 CO -0.00 0.53 0.21 0.35 0.00 0.00 0.00 179.25 180.33 3f4i h PHE 366 N 1.11 0.67 -0.56 0.00 3.57 -1.02 0.57 116.94 121.29 3f4i h PHE 366 Ca 0.28 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3f4i h PHE 366 Cb 0.01 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3f4i h PHE 366 CO 0.00 0.55 0.08 -0.07 -2.23 0.00 0.00 178.31 176.64 3f4i h LEU 367 N 0.59 0.85 0.10 0.59 3.38 -1.10 0.15 115.31 119.87 3f4i h LEU 367 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3f4i h LEU 367 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3f4i h LEU 367 CO -0.02 0.87 -0.05 -0.33 0.09 0.00 0.00 178.44 179.01 3f4i h GLU 368 N 0.85 -0.13 -0.23 1.13 5.08 -1.03 -0.35 114.58 119.91 3f4i h GLU 368 Ca 0.17 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3f4i h GLU 368 Cb 0.39 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3f4i h GLU 368 CO 0.01 0.37 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.75 3f4i h ASP 369 N -0.72 0.56 0.00 1.42 3.32 0.20 -2.74 116.42 118.46 3f4i h ASP 369 Ca -0.01 -0.46 -0.34 0.00 0.02 0.00 0.00 57.03 56.24 3f4i h ASP 369 Cb 0.55 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3f4i h ASP 369 CO 0.02 0.91 -2.27 -0.62 -1.72 0.00 0.00 179.24 175.56 3f4i n GLU 370 N -4.42 0.85 -0.02 3.56 -0.58 0.52 -4.40 120.64 116.15 3f4i n GLU 370 Ca -0.05 0.05 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3f4i n GLU 370 Cb 0.40 -1.46 0.09 0.00 -0.57 0.00 0.00 31.44 29.90 3f4i n GLU 370 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3f4i n LEU 371 N -2.88 2.68 -2.72 -4.62 4.77 -1.06 -4.74 117.00 108.43 3f4i n LEU 371 Ca -0.34 -1.06 -0.22 0.00 -0.03 0.00 0.00 56.01 54.36 3f4i n LEU 371 Cb 1.02 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 42.10 3f4i n LEU 371 CO 0.32 0.48 -0.13 0.29 -1.33 0.00 0.00 177.39 177.02 3f4i n LYS 372 N 1.10 -3.29 -2.49 3.23 4.76 -0.61 -4.94 118.16 115.92 3f4i n LYS 372 Ca 0.12 0.95 -0.34 0.00 -2.87 0.00 0.00 58.31 56.17 3f4i n LYS 372 Cb 0.49 -5.72 -0.03 0.00 -1.84 0.00 0.00 35.03 27.93 3f4i n LYS 372 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f4i s LEU 373 N -6.36 3.81 0.79 -0.35 1.02 -0.24 -4.96 118.68 112.38 3f4i s LEU 373 Ca 0.15 1.92 -0.12 0.00 0.02 0.00 0.00 54.13 56.11 3f4i s LEU 373 Cb -0.07 -4.56 0.07 0.00 0.02 0.00 0.00 46.19 41.65 3f4i s LEU 373 CO 0.19 -0.83 1.13 -0.94 0.02 0.00 0.00 176.35 175.92 3f4i s SER 374 N -2.07 4.13 0.24 2.29 1.04 -1.26 -4.26 113.70 113.82 3f4i s SER 374 Ca 0.67 2.03 -0.06 0.00 0.48 0.00 0.00 55.95 59.07 3f4i s SER 374 Cb -0.16 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.70 3f4i s SER 374 CO 0.22 -2.29 1.89 -0.09 0.98 0.00 0.00 173.24 173.95 3f4i h ARG 375 N -1.02 1.11 0.18 4.02 2.43 -1.96 -0.33 114.38 118.81 3f4i h ARG 375 Ca -0.44 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3f4i h ARG 375 Cb 1.25 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3f4i h ARG 375 CO 0.49 0.74 -0.23 -0.22 -1.51 0.00 0.00 179.97 179.23 3f4i h LYS 376 N 1.15 -0.45 -0.74 0.20 3.64 -1.91 -0.16 116.57 118.30 3f4i h LYS 376 Ca 0.37 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 3f4i h LYS 376 Cb 0.02 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3f4i h LYS 376 CO -0.12 -0.30 0.29 0.45 -2.27 0.00 0.00 179.45 177.50 3f4i h HIS 377 N -0.46 1.11 -0.46 1.91 3.86 -1.86 -1.73 115.15 117.52 3f4i h HIS 377 Ca 0.01 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 3f4i h HIS 377 Cb 0.46 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 3f4i h HIS 377 CO -0.19 0.84 0.08 0.00 0.86 0.00 0.00 177.93 179.53 3f4i h ALA 378 N 1.25 0.61 -0.41 2.45 0.00 -0.77 -1.01 119.26 121.38 3f4i h ALA 378 Ca 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3f4i h ALA 378 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f4i h ALA 378 CO -0.02 0.32 -0.02 0.28 0.00 0.00 0.00 179.25 179.82 3f4i h VAL 379 N 0.62 1.26 -0.35 0.00 2.07 -0.88 -2.12 116.25 116.86 3f4i h VAL 379 Ca 0.14 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 3f4i h VAL 379 Cb 0.37 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3f4i h VAL 379 CO 0.01 0.36 -0.23 -0.07 0.02 0.00 0.00 177.57 177.65 3f4i h LEU 380 N 0.57 0.81 -0.70 2.57 3.38 -1.16 -0.79 115.31 119.99 3f4i h LEU 380 Ca 0.11 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 3f4i h LEU 380 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3f4i h LEU 380 CO 0.02 1.07 -0.08 -0.50 0.09 0.00 0.00 178.44 179.04 3f4i h TRP 381 N 0.55 1.02 -0.23 1.13 4.06 -1.23 -0.75 115.95 120.50 3f4i h TRP 381 Ca 0.07 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.83 3f4i h TRP 381 Cb 0.79 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 3f4i h TRP 381 CO 0.06 0.95 0.15 1.15 -3.56 0.00 0.00 178.44 177.19 3f4i h THR 382 N 0.83 1.08 -0.91 1.49 2.02 -1.25 -1.48 112.91 114.69 3f4i h THR 382 Ca 0.14 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3f4i h THR 382 Cb 0.61 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 3f4i h THR 382 CO 0.04 0.07 0.60 0.00 0.37 0.00 0.00 175.52 176.60 3f4i h ALA 383 N 1.06 1.16 -0.59 6.16 0.00 -0.95 -1.62 119.26 124.48 3f4i h ALA 383 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3f4i h ALA 383 Cb -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3f4i h ALA 383 CO -0.02 0.52 0.31 0.00 0.00 0.00 0.00 179.25 180.06 3f4i h ALA 384 N 1.35 0.76 -0.35 0.00 0.00 -0.81 0.23 119.26 120.44 3f4i h ALA 384 Ca 0.34 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3f4i h ALA 384 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3f4i h ALA 384 CO -0.09 0.29 -0.19 0.82 0.00 0.00 0.00 179.25 180.08 3f4i h ILE 385 N 0.80 1.29 -0.27 0.00 2.04 -0.95 -0.68 117.51 119.74 3f4i h ILE 385 Ca 0.21 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 3f4i h ILE 385 Cb 0.07 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3f4i h ILE 385 CO -0.03 0.43 0.04 0.58 0.00 0.00 0.00 178.15 179.18 3f4i h VAL 386 N 0.52 1.23 0.10 1.67 2.07 -1.16 -1.56 116.25 119.13 3f4i h VAL 386 Ca 0.07 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3f4i h VAL 386 Cb 0.74 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3f4i h VAL 386 CO 0.06 0.25 -0.05 0.15 0.02 0.00 0.00 177.57 178.00 3f4i h PHE 387 N 0.25 -0.13 -0.02 1.57 3.57 -0.46 -1.08 116.94 120.64 3f4i h PHE 387 Ca 0.08 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3f4i h PHE 387 Cb 0.33 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3f4i h PHE 387 CO 0.02 -0.07 -0.09 0.35 -2.23 0.00 0.00 178.31 176.29 3f4i h PHE 388 N -0.14 -0.22 -0.07 0.41 3.57 -1.13 -2.91 116.94 116.45 3f4i h PHE 388 Ca -0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3f4i h PHE 388 Cb 0.11 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3f4i h PHE 388 CO -0.07 -0.13 -0.09 0.77 -2.23 0.00 0.00 178.31 176.55 3f4i h SER 389 N -0.14 0.09 0.46 0.41 0.02 -1.15 -2.49 113.55 110.75 3f4i h SER 389 Ca 0.04 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3f4i h SER 389 Cb 0.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3f4i h SER 389 CO -0.11 0.20 -0.01 0.00 -1.14 0.00 0.00 176.83 175.77 3f4i h ALA 390 N 1.81 1.03 -0.10 3.77 0.00 -0.99 -1.73 119.26 123.06 3f4i h ALA 390 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3f4i h ALA 390 Cb 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3f4i h ALA 390 CO 0.01 0.01 0.09 0.45 0.00 0.00 0.00 179.25 179.81 3f4i h HIS 391 N 0.00 0.00 -0.39 0.00 -0.00 -1.51 0.11 115.15 113.35 3f4i h HIS 391 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 3f4i h HIS 391 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3f4i h HIS 391 CO 0.00 0.00 0.02 1.25 -0.00 0.00 0.00 177.93 179.20 3f4i h LEU 392 N 0.00 0.66 -0.63 2.43 5.85 -1.52 -2.37 115.31 119.74 3f4i h LEU 392 Ca 0.05 -0.29 -0.15 0.00 0.84 0.00 0.00 57.88 58.33 3f4i h LEU 392 Cb 0.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3f4i h LEU 392 CO -0.00 0.80 -0.68 0.58 -0.34 0.00 0.00 178.44 178.79 3f4i h VAL 393 N 0.51 1.48 0.00 1.05 2.07 -1.25 -1.78 116.25 118.33 3f4i h VAL 393 Ca 0.11 -2.32 -0.12 0.00 0.82 0.00 0.00 66.70 65.20 3f4i h VAL 393 Cb 0.44 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3f4i h VAL 393 CO 0.02 0.66 -0.56 0.24 0.02 0.00 0.00 177.57 177.95 3f4i h MET 394 N 0.02 0.00 0.00 1.57 2.86 -0.79 -3.39 114.93 115.20 3f4i h MET 394 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3f4i h MET 394 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3f4i h MET 394 CO 0.09 0.56 -1.08 1.19 1.06 0.00 0.00 176.91 178.74 3f4i n PHE 395 N -3.75 0.00 -3.70 -0.22 3.72 -0.90 -4.51 117.46 108.10 3f4i n PHE 395 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 3f4i n PHE 395 Cb 0.59 -0.04 -0.12 0.00 -0.94 0.00 0.00 39.48 38.96 3f4i n PHE 395 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3f4i s LEU 396 N -3.12 4.02 0.20 4.37 2.96 -0.68 -0.06 118.68 126.37 3f4i s LEU 396 Ca -0.01 -0.64 -0.33 0.00 -0.22 0.00 0.00 54.13 52.94 3f4i s LEU 396 Cb 0.01 -1.95 -0.13 0.00 0.50 0.00 0.00 46.19 44.63 3f4i s LEU 396 CO 0.08 -0.20 1.59 -3.20 -1.32 0.00 0.00 176.35 173.30 3f4i n ASN 397 N 4.93 3.35 0.00 3.68 5.15 -0.03 -1.98 115.26 130.35 3f4i n ASN 397 Ca -0.14 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 3f4i n ASN 397 Cb 0.48 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 3f4i n ASN 397 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3f4i n LYS 398 N 3.21 -0.18 -0.20 1.20 4.76 -1.26 -4.87 118.16 120.81 3f4i n LYS 398 Ca 0.15 0.04 -0.05 0.00 -2.87 0.00 0.00 58.31 55.58 3f4i n LYS 398 Cb 0.32 -3.16 0.11 0.00 -1.84 0.00 0.00 35.03 30.45 3f4i n LYS 398 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3f4i h SER 399 N 0.00 0.95 -0.35 4.39 0.87 -1.70 -2.26 113.55 115.45 3f4i h SER 399 Ca 0.00 -0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 3f4i h SER 399 Cb 0.09 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 3f4i h SER 399 CO 0.00 0.92 0.09 0.25 -0.53 0.00 0.00 176.83 177.56 3f4i h LEU 400 N 0.97 0.07 -0.90 2.23 6.46 -1.83 -1.63 115.31 120.68 3f4i h LEU 400 Ca 0.21 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.06 3f4i h LEU 400 Cb 0.34 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 3f4i h LEU 400 CO -0.00 0.07 0.58 0.44 -0.62 0.00 0.00 178.44 178.91 3f4i h ASP 401 N 0.23 0.95 -0.32 1.25 5.19 -1.91 -1.07 116.42 120.73 3f4i h ASP 401 Ca 0.16 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 3f4i h ASP 401 Cb 0.16 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3f4i h ASP 401 CO -0.19 0.64 0.02 -0.08 -3.12 0.00 0.00 179.24 176.51 3f4i h GLU 402 N 1.10 0.55 -0.44 3.56 4.57 -0.82 -1.45 114.58 121.66 3f4i h GLU 402 Ca 0.36 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 3f4i h GLU 402 Cb 0.04 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3f4i h GLU 402 CO -0.13 0.67 0.09 0.52 -1.18 0.00 0.00 179.01 178.97 3f4i h MET 403 N 0.37 0.72 -0.08 1.92 2.86 -1.11 -2.20 114.93 117.41 3f4i h MET 403 Ca 0.09 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3f4i h MET 403 Cb 0.41 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3f4i h MET 403 CO 0.01 0.74 -0.08 0.22 1.06 0.00 0.00 176.91 178.86 3f4i h ASP 404 N 0.59 0.10 0.44 1.22 3.58 -1.13 -1.20 116.42 120.01 3f4i h ASP 404 Ca 0.14 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 3f4i h ASP 404 Cb 0.36 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3f4i h ASP 404 CO 0.01 0.21 -0.21 0.15 -2.88 0.00 0.00 179.24 176.51 3f4i h PHE 405 N 0.11 -0.54 -0.41 0.28 3.57 -0.95 -0.75 116.94 118.25 3f4i h PHE 405 Ca 0.02 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3f4i h PHE 405 Cb 0.22 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3f4i h PHE 405 CO 0.00 -0.27 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.26 3f4i h TRP 406 N -1.10 0.85 0.00 0.41 4.06 -1.29 -0.47 115.95 118.41 3f4i h TRP 406 Ca -0.06 -0.17 -0.18 0.00 2.06 0.00 0.00 58.89 60.54 3f4i h TRP 406 Cb 0.52 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 3f4i h TRP 406 CO 0.01 0.87 -1.21 0.00 -3.56 0.00 0.00 178.44 174.55 3f4i n ALA 407 N -2.43 0.75 0.79 1.49 0.00 -0.46 -0.89 120.51 119.75 3f4i n ALA 407 Ca -0.01 -0.58 0.13 0.00 0.00 0.00 0.00 53.44 52.99 3f4i n ALA 407 Cb 0.33 -0.25 0.51 0.00 0.00 0.00 0.00 19.45 20.04 3f4i n ALA 407 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f4i n GLY 408 N 1.46 -1.57 0.60 0.00 0.00 -0.84 -2.38 105.19 102.46 3f4i n GLY 408 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3f4i n GLY 408 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3f4i n THR 409 N -1.88 0.00 -0.01 2.61 -1.04 -0.34 -4.70 114.28 108.91 3f4i n THR 409 Ca 0.06 0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 62.00 3f4i n THR 409 Cb 0.37 -0.90 -0.06 0.00 -1.82 0.00 0.00 70.33 67.92 3f4i n THR 409 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3f4i h ILE 410 N 0.00 1.16 -0.36 12.58 1.08 -1.26 -3.26 117.51 127.46 3f4i h ILE 410 Ca 0.00 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 3f4i h ILE 410 Cb 0.00 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 3f4i h ILE 410 CO 0.00 0.14 0.06 1.23 -0.69 0.00 0.00 178.15 178.89 3f4i h GLY 411 N -0.03 0.41 1.39 5.37 0.00 -1.03 -1.76 103.07 107.42 3f4i h GLY 411 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 3f4i h GLY 411 CO -0.00 -0.04 -0.07 -0.39 0.00 0.00 0.00 176.54 176.04 3f4i h VAL 412 N 0.17 1.25 -0.16 4.60 -1.51 -1.54 0.12 116.25 119.19 3f4i h VAL 412 Ca 0.17 -1.07 -0.09 0.00 -1.23 0.00 0.00 66.70 64.48 3f4i h VAL 412 Cb 0.21 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 3f4i h VAL 412 CO -0.24 0.37 -0.26 0.58 -1.23 0.00 0.00 177.57 176.79 3f4i h VAL 413 N 0.68 1.36 -0.65 7.19 2.07 -1.55 -0.41 116.25 124.94 3f4i h VAL 413 Ca 0.12 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.20 3f4i h VAL 413 Cb 0.52 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3f4i h VAL 413 CO 0.03 0.45 0.38 0.15 0.02 0.00 0.00 177.57 178.59 3f4i h PHE 414 N 0.07 0.69 -0.08 1.57 3.57 -1.14 -2.01 116.94 119.62 3f4i h PHE 414 Ca 0.01 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3f4i h PHE 414 Cb 0.84 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3f4i h PHE 414 CO 0.09 0.36 -0.57 0.35 -2.23 0.00 0.00 178.31 176.31 3f4i h PHE 415 N 0.71 0.31 -0.43 0.41 3.57 -0.67 -1.68 116.94 119.16 3f4i h PHE 415 Ca 0.28 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3f4i h PHE 415 Cb 0.12 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3f4i h PHE 415 CO -0.07 0.76 0.20 0.78 -2.23 0.00 0.00 178.31 177.75 3f4i h GLY 416 N 1.42 0.67 1.05 2.40 0.00 -0.78 0.46 103.07 108.30 3f4i h GLY 416 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3f4i h GLY 416 CO 0.09 0.33 0.28 -2.00 0.00 0.00 0.00 176.54 175.24 3f4i h LEU 417 N 0.55 1.10 0.02 3.11 5.85 -1.24 -2.31 115.31 122.40 3f4i h LEU 417 Ca 0.15 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3f4i h LEU 417 Cb 0.14 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3f4i h LEU 417 CO -0.02 0.99 -0.01 0.74 -0.34 0.00 0.00 178.44 179.81 3f4i h THR 418 N 1.14 1.04 -0.37 1.05 2.02 -0.97 -1.17 112.91 115.66 3f4i h THR 418 Ca 0.26 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 3f4i h THR 418 Cb 0.26 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3f4i h THR 418 CO -0.02 0.05 0.03 1.05 0.37 0.00 0.00 175.52 177.00 3f4i h GLU 419 N -0.11 0.56 -0.25 6.66 4.11 -0.85 -0.61 114.58 124.08 3f4i h GLU 419 Ca -0.00 -0.11 -0.10 0.00 0.07 0.00 0.00 59.36 59.21 3f4i h GLU 419 Cb 0.11 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3f4i h GLU 419 CO 0.01 0.57 -0.23 1.25 0.07 0.00 0.00 179.01 180.67 3f4i h LEU 420 N 0.54 0.64 -0.53 3.06 6.46 -1.28 -1.39 115.31 122.81 3f4i h LEU 420 Ca 0.12 -0.47 -0.00 0.00 -0.12 0.00 0.00 57.88 57.41 3f4i h LEU 420 Cb 0.30 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3f4i h LEU 420 CO 0.01 0.98 0.32 0.40 -0.62 0.00 0.00 178.44 179.53 3f4i h ILE 421 N 0.32 1.16 -0.48 4.05 2.04 -0.83 0.18 117.51 123.96 3f4i h ILE 421 Ca 0.04 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3f4i h ILE 421 Cb 0.79 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3f4i h ILE 421 CO 0.06 0.16 0.06 0.40 0.00 0.00 0.00 178.15 178.83 3f4i h ILE 422 N 0.72 1.25 0.03 -0.67 2.04 -1.09 -0.66 117.51 119.13 3f4i h ILE 422 Ca 0.19 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 3f4i h ILE 422 Cb -0.02 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3f4i h ILE 422 CO -0.04 0.34 -0.34 0.15 0.00 0.00 0.00 178.15 178.26 3f4i h PHE 423 N 0.67 0.29 0.00 1.37 3.57 -1.09 0.56 116.94 122.32 3f4i h PHE 423 Ca 0.14 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3f4i h PHE 423 Cb 0.42 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3f4i h PHE 423 CO 0.03 1.04 -1.04 1.19 -2.23 0.00 0.00 178.31 177.30 3f4i n PHE 424 N -4.43 0.25 -0.04 0.41 3.01 0.62 -3.20 117.46 114.08 3f4i n PHE 424 Ca -0.11 0.07 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 3f4i n PHE 424 Cb 0.57 -0.43 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 3f4i n PHE 424 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3f4i n TRP 425 N -1.95 0.00 -0.07 1.38 7.02 -0.33 -2.06 117.44 121.42 3f4i n TRP 425 Ca 0.02 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.39 3f4i n TRP 425 Cb 0.44 -0.34 -0.10 0.00 -2.42 0.00 0.00 31.31 28.89 3f4i n TRP 425 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3f4i h ILE 426 N -0.36 1.36 -0.60 -0.99 2.04 -1.31 -3.35 117.51 114.29 3f4i h ILE 426 Ca -0.22 -2.02 -0.06 0.00 1.00 0.00 0.00 64.86 63.56 3f4i h ILE 426 Cb 1.09 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.71 3f4i h ILE 426 CO -0.13 0.46 0.13 0.15 0.00 0.00 0.00 178.15 178.75 3f4i h PHE 427 N -1.00 0.99 0.00 1.37 3.57 -1.01 -3.48 116.94 117.38 3f4i h PHE 427 Ca -0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3f4i h PHE 427 Cb 0.76 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3f4i h PHE 427 CO 0.21 0.83 0.00 0.41 -2.23 0.00 0.00 178.31 177.53 3f4i n GLY 428 N -0.75 3.39 0.22 2.40 0.00 -1.19 -4.82 105.19 104.44 3f4i n GLY 428 Ca 0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 3f4i n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4i h ALA 429 N 0.00 0.68 -0.34 4.61 0.00 -1.64 0.27 119.26 122.84 3f4i h ALA 429 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3f4i h ALA 429 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3f4i h ALA 429 CO 0.00 -0.23 -0.35 -0.44 0.00 0.00 0.00 179.25 178.23 3f4i h ASP 430 N 0.34 0.83 -0.55 0.00 3.32 -1.94 0.17 116.42 118.59 3f4i h ASP 430 Ca 0.27 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 3f4i h ASP 430 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3f4i h ASP 430 CO -0.30 1.09 -0.10 0.11 -1.72 0.00 0.00 179.24 178.33 3f4i h LYS 431 N 0.65 1.04 -0.06 3.56 1.57 -1.74 -0.76 116.57 120.83 3f4i h LYS 431 Ca 0.06 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3f4i h LYS 431 Cb 0.90 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3f4i h LYS 431 CO 0.08 1.07 0.01 0.00 -0.57 0.00 0.00 179.45 180.05 3f4i h ALA 432 N 0.93 0.07 -0.62 3.86 0.00 -0.28 -0.79 119.26 122.44 3f4i h ALA 432 Ca 0.14 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3f4i h ALA 432 Cb 0.67 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3f4i h ALA 432 CO 0.05 -0.30 0.29 2.35 0.00 0.00 0.00 179.25 181.63 3f4i h TRP 433 N -0.13 0.51 -0.60 0.00 2.91 -0.60 -0.27 115.95 117.77 3f4i h TRP 433 Ca 0.02 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.98 3f4i h TRP 433 Cb 0.24 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.73 3f4i h TRP 433 CO 0.00 0.19 0.03 1.49 -1.03 0.00 0.00 178.44 179.12 3f4i h GLU 434 N 0.51 1.03 -0.57 2.65 4.57 -1.03 -2.58 114.58 119.17 3f4i h GLU 434 Ca 0.30 -0.31 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 3f4i h GLU 434 Cb 0.30 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3f4i h GLU 434 CO -0.25 1.00 -0.06 1.49 -1.18 0.00 0.00 179.01 180.01 3f4i h GLU 435 N 0.95 1.04 -0.07 1.92 4.57 -0.31 -1.01 114.58 121.67 3f4i h GLU 435 Ca 0.18 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3f4i h GLU 435 Cb 0.51 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3f4i h GLU 435 CO 0.02 1.05 0.04 0.82 -1.18 0.00 0.00 179.01 179.76 3f4i h ILE 436 N 0.94 1.09 0.00 2.32 2.04 -0.99 -3.23 117.51 119.69 3f4i h ILE 436 Ca 0.16 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3f4i h ILE 436 Cb 0.62 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3f4i h ILE 436 CO 0.04 0.08 -0.24 0.78 0.00 0.00 0.00 178.15 178.81 3f4i h ASN 437 N 0.01 0.00 -1.92 1.72 2.35 -1.36 -3.42 115.58 112.96 3f4i h ASN 437 Ca 0.02 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.13 3f4i h ASN 437 Cb 0.10 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.49 3f4i h ASN 437 CO -0.00 0.24 1.00 -1.14 -1.65 0.00 0.00 177.43 175.88 3f4i n ARG 438 N -3.24 1.88 -0.98 0.81 0.63 -0.39 -0.33 116.66 115.04 3f4i n ARG 438 Ca 0.02 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 3f4i n ARG 438 Cb 0.55 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.98 3f4i n ARG 438 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f4i n GLY 439 N 4.19 0.89 3.72 5.14 0.00 -1.26 -4.75 105.19 113.11 3f4i n GLY 439 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3f4i n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f4i s GLY 440 N -1.98 1.30 0.34 -0.02 0.00 0.55 -3.42 107.32 104.09 3f4i s GLY 440 Ca 0.00 1.52 0.06 0.00 0.00 0.00 0.00 44.72 46.30 3f4i s GLY 440 CO 0.00 2.87 1.86 -2.22 0.00 0.00 0.00 173.10 175.61 3f4i h ILE 441 N 3.99 1.20 -2.93 0.90 2.04 -1.94 -3.43 117.51 117.35 3f4i h ILE 441 Ca -0.43 -0.88 -0.44 0.00 1.00 0.00 0.00 64.86 64.11 3f4i h ILE 441 Cb 1.20 1.10 -0.14 0.00 -0.74 0.00 0.00 36.82 38.24 3f4i h ILE 441 CO 0.95 0.29 -0.71 0.27 0.00 0.00 0.00 178.15 178.94 3f4i s ILE 442 N -4.81 1.58 0.13 -0.67 -4.36 -1.26 -5.06 121.20 106.76 3f4i s ILE 442 Ca -0.07 -2.16 -0.02 0.00 -0.26 0.00 0.00 60.65 58.14 3f4i s ILE 442 Cb 0.15 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 3f4i s ILE 442 CO 0.76 -0.52 0.32 -0.54 0.24 0.00 0.00 174.94 175.20 3f4i s LYS 443 N -3.70 3.53 0.11 0.37 1.02 -1.26 -4.70 119.74 115.11 3f4i s LYS 443 Ca 0.24 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.64 3f4i s LYS 443 Cb 0.01 -2.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 3f4i s LYS 443 CO 0.07 0.50 1.33 0.08 -0.92 0.00 0.00 175.35 176.42 3f4i s VAL 444 N -1.65 3.47 0.18 3.17 1.01 -1.26 -4.95 120.40 120.37 3f4i s VAL 444 Ca 0.38 1.08 -0.32 0.00 0.00 0.00 0.00 61.98 63.11 3f4i s VAL 444 Cb -0.12 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 3f4i s VAL 444 CO 0.27 0.09 1.12 -2.65 0.00 0.00 0.00 175.10 173.93 3f4i n PRO 445 N 3.78 1.08 -0.30 2.72 -0.02 -1.26 -4.84 135.00 136.16 3f4i n PRO 445 Ca 0.10 0.38 0.18 0.00 -2.02 0.00 0.00 63.50 62.14 3f4i n PRO 445 Cb 0.43 -1.85 0.44 0.00 -0.02 0.00 0.00 33.50 32.51 3f4i n PRO 445 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3f4i h ARG 446 N 3.13 0.52 -0.44 -0.52 2.43 -2.04 -0.81 114.38 116.66 3f4i h ARG 446 Ca -0.42 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3f4i h ARG 446 Cb 1.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3f4i h ARG 446 CO 0.68 0.34 0.29 0.97 -1.51 0.00 0.00 179.97 180.75 3f4i h ILE 447 N 0.53 0.95 0.00 1.20 6.09 -2.03 -1.72 117.51 122.54 3f4i h ILE 447 Ca 0.53 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.91 3f4i h ILE 447 Cb 1.13 0.59 0.00 0.00 0.47 0.00 0.00 36.82 39.01 3f4i h ILE 447 CO -0.26 0.06 0.00 -1.22 -3.07 0.00 0.00 178.15 173.66 3f4i n TYR 448 N -4.47 0.32 -0.15 2.19 4.02 -0.31 -1.91 117.16 116.85 3f4i n TYR 448 Ca 0.06 0.13 -0.11 0.00 -0.01 0.00 0.00 57.90 57.96 3f4i n TYR 448 Cb 0.27 -0.71 -0.01 0.00 -0.02 0.00 0.00 39.34 38.86 3f4i n TYR 448 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3f4i h TYR 449 N 0.00 1.00 0.00 -0.72 3.20 -1.46 -1.35 116.97 117.64 3f4i h TYR 449 Ca 0.00 -0.23 -0.16 0.00 3.14 0.00 0.00 58.73 61.47 3f4i h TYR 449 Cb 0.25 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3f4i h TYR 449 CO 0.00 1.01 -0.78 1.88 -1.64 0.00 0.00 178.16 178.62 3f4i h TYR 450 N 0.70 0.00 0.13 -3.82 0.05 -1.55 -2.01 116.97 110.47 3f4i h TYR 450 Ca 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3f4i h TYR 450 Cb 0.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 3f4i h TYR 450 CO 0.05 0.78 -0.06 0.28 -1.05 0.00 0.00 178.16 178.16 3f4i h VAL 451 N 0.00 0.99 -0.64 -2.88 2.07 -1.46 -1.01 116.25 113.32 3f4i h VAL 451 Ca -0.01 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3f4i h VAL 451 Cb 1.59 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3f4i h VAL 451 CO 0.10 0.11 0.35 0.24 0.02 0.00 0.00 177.57 178.39 3f4i h MET 452 N -0.39 0.89 0.09 1.57 2.86 -1.24 0.46 114.93 119.16 3f4i h MET 452 Ca -0.02 -0.10 -0.25 0.00 -2.06 0.00 0.00 59.70 57.27 3f4i h MET 452 Cb 0.31 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3f4i h MET 452 CO 0.03 0.67 -1.14 -0.09 1.06 0.00 0.00 176.91 177.44 3f4i h ARG 453 N 0.87 0.27 0.00 1.72 2.43 -1.40 -3.40 114.38 114.87 3f4i h ARG 453 Ca 0.22 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3f4i h ARG 453 Cb 0.04 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3f4i h ARG 453 CO -0.04 1.16 -1.00 0.66 -1.51 0.00 0.00 179.97 179.24 3f4i n TYR 454 N -3.57 0.00 0.03 2.20 4.01 -0.41 -4.78 117.16 114.64 3f4i n TYR 454 Ca -0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.57 3f4i n TYR 454 Cb 0.96 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.92 3f4i n TYR 454 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3f4i h ILE 455 N -0.00 0.86 -0.04 -0.72 1.08 -0.84 -2.99 117.51 114.87 3f4i h ILE 455 Ca -0.00 -1.24 0.03 0.00 -0.39 0.00 0.00 64.86 63.26 3f4i h ILE 455 Cb 1.00 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 3f4i h ILE 455 CO -0.00 0.24 -0.14 0.74 -0.69 0.00 0.00 178.15 178.30 3f4i h THR 456 N -0.89 0.65 -0.76 -0.27 2.02 -0.38 0.13 112.91 113.42 3f4i h THR 456 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 3f4i h THR 456 Cb 0.53 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3f4i h THR 456 CO 0.03 0.00 0.50 1.55 0.37 0.00 0.00 175.52 177.97 3f4i h PRO 457 N -0.21 0.97 -0.45 6.66 0.13 -1.76 -1.19 132.00 136.15 3f4i h PRO 457 Ca 0.06 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 3f4i h PRO 457 Cb 0.29 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 3f4i h PRO 457 CO -0.16 0.64 -0.20 0.00 -0.23 0.00 0.00 178.00 178.05 3f4i h ALA 458 N 1.29 0.79 -0.04 -0.56 0.00 -1.32 0.48 119.26 119.91 3f4i h ALA 458 Ca 0.28 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3f4i h ALA 458 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3f4i h ALA 458 CO -0.07 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 180.13 3f4i h PHE 459 N 0.78 -0.12 -0.45 0.00 3.57 -0.43 -1.66 116.94 118.64 3f4i h PHE 459 Ca 0.11 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 3f4i h PHE 459 Cb 0.75 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3f4i h PHE 459 CO 0.04 -0.08 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.90 3f4i h LEU 460 N -0.07 0.85 -0.23 0.59 3.38 -1.04 -1.81 115.31 116.98 3f4i h LEU 460 Ca 0.04 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3f4i h LEU 460 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3f4i h LEU 460 CO -0.08 1.00 0.13 0.00 0.09 0.00 0.00 178.44 179.58 3f4i h ALA 461 N 0.88 0.29 -0.41 1.53 0.00 -0.80 0.63 119.26 121.37 3f4i h ALA 461 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3f4i h ALA 461 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3f4i h ALA 461 CO 0.04 -0.20 0.20 0.28 0.00 0.00 0.00 179.25 179.57 3f4i h VAL 462 N 0.27 1.17 -0.30 0.00 2.07 -1.30 -1.82 116.25 116.34 3f4i h VAL 462 Ca 0.08 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3f4i h VAL 462 Cb 0.03 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3f4i h VAL 462 CO -0.01 0.18 -0.04 0.25 0.02 0.00 0.00 177.57 177.97 3f4i h LEU 463 N 0.52 -0.21 -0.76 2.57 5.85 -0.97 -0.94 115.31 121.38 3f4i h LEU 463 Ca 0.14 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3f4i h LEU 463 Cb 0.11 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3f4i h LEU 463 CO -0.02 -0.07 0.15 -0.07 -0.34 0.00 0.00 178.44 178.10 3f4i h LEU 464 N 0.04 1.04 -0.16 2.25 3.38 -0.71 -0.02 115.31 121.14 3f4i h LEU 464 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3f4i h LEU 464 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3f4i h LEU 464 CO -0.28 1.00 0.01 0.58 0.09 0.00 0.00 178.44 179.84 3f4i h VAL 465 N 1.04 1.24 -0.75 1.22 2.07 -0.95 0.16 116.25 120.28 3f4i h VAL 465 Ca 0.21 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3f4i h VAL 465 Cb 0.38 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3f4i h VAL 465 CO 0.00 0.24 0.36 0.58 0.02 0.00 0.00 177.57 178.77 3f4i h VAL 466 N 0.03 1.24 -0.15 2.57 2.07 -1.10 0.10 116.25 121.02 3f4i h VAL 466 Ca 0.05 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3f4i h VAL 466 Cb 0.35 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3f4i h VAL 466 CO 0.01 0.29 -0.03 -0.25 0.02 0.00 0.00 177.57 177.61 3f4i h TRP 467 N 1.06 -0.06 -0.42 1.57 2.91 -0.85 -2.68 115.95 117.49 3f4i h TRP 467 Ca 0.26 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.18 3f4i h TRP 467 Cb 0.13 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 3f4i h TRP 467 CO 0.01 -0.05 -0.19 0.00 -1.03 0.00 0.00 178.44 177.18 3f4i h ALA 468 N 1.14 0.87 -0.27 2.65 0.00 -0.15 -2.15 119.26 121.36 3f4i h ALA 468 Ca 0.07 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3f4i h ALA 468 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3f4i h ALA 468 CO -0.14 0.63 -0.40 0.00 0.00 0.00 0.00 179.25 179.35 3f4i h ARG 469 N 0.72 0.74 -0.09 0.00 3.08 -0.74 -3.34 114.38 114.74 3f4i h ARG 469 Ca 0.10 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3f4i h ARG 469 Cb 0.71 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3f4i h ARG 469 CO 0.05 1.06 0.00 0.39 -1.07 0.00 0.00 179.97 180.41 3f4i n GLU 470 N -4.18 1.85 0.00 0.04 -0.58 -1.02 -4.78 120.64 111.97 3f4i n GLU 470 Ca -0.05 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 3f4i n GLU 470 Cb 0.54 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 3f4i n GLU 470 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3f4i n TYR 471 N 0.00 0.00 -0.26 -0.32 4.01 -0.82 -4.92 117.16 114.86 3f4i n TYR 471 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 3f4i n TYR 471 Cb 0.25 0.19 0.08 0.00 -0.31 0.00 0.00 39.34 39.54 3f4i n TYR 471 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 3f4i h ILE 472 N 0.00 1.26 -0.86 -0.72 3.07 -1.65 -3.23 117.51 115.37 3f4i h ILE 472 Ca 0.00 -0.89 0.01 0.00 1.55 0.00 0.00 64.86 65.53 3f4i h ILE 472 Cb 0.31 0.44 -0.04 0.00 -0.27 0.00 0.00 36.82 37.26 3f4i h ILE 472 CO 0.00 0.35 0.56 -0.65 -1.05 0.00 0.00 178.15 177.36 3f4i h PRO 473 N 1.09 1.14 -0.81 0.16 0.11 -1.87 -0.70 132.00 131.12 3f4i h PRO 473 Ca 0.24 -0.07 0.12 0.00 0.11 0.00 0.00 66.00 66.39 3f4i h PRO 473 Cb 0.29 -0.25 -0.08 0.00 0.11 0.00 0.00 31.00 31.06 3f4i h PRO 473 CO -0.01 0.76 0.42 0.87 -0.21 0.00 0.00 178.00 179.84 3f4i h LYS 474 N 1.17 0.65 -0.36 1.05 1.57 -1.92 -1.82 116.57 116.90 3f4i h LYS 474 Ca 0.31 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 3f4i h LYS 474 Cb -0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3f4i h LYS 474 CO -0.07 0.43 -0.10 0.82 -0.57 0.00 0.00 179.45 179.97 3f4i h ILE 475 N 0.67 1.28 -0.48 1.86 2.04 -1.25 0.36 117.51 121.98 3f4i h ILE 475 Ca 0.41 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3f4i h ILE 475 Cb 0.49 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3f4i h ILE 475 CO -0.30 0.39 -0.00 0.24 0.00 0.00 0.00 178.15 178.47 3f4i h MET 476 N 0.49 0.79 0.06 2.37 2.86 -1.13 -3.28 114.93 117.10 3f4i h MET 476 Ca 0.09 -0.21 -0.31 0.00 -2.06 0.00 0.00 59.70 57.21 3f4i h MET 476 Cb 0.61 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 3f4i h MET 476 CO 0.04 0.80 -1.71 1.49 1.06 0.00 0.00 176.91 178.58 3f4i h GLU 477 N 0.74 0.13 -0.89 1.72 4.81 -1.22 -3.40 114.58 116.48 3f4i h GLU 477 Ca 0.14 -0.22 -0.54 0.00 -0.13 0.00 0.00 59.36 58.61 3f4i h GLU 477 Cb 0.45 0.08 -0.29 0.00 0.63 0.00 0.00 28.75 29.63 3f4i h GLU 477 CO 0.02 0.86 0.51 0.39 -0.73 0.00 0.00 179.01 180.06 3f4i n GLU 478 N -3.27 2.50 -4.33 1.92 -0.58 0.12 -4.98 120.64 112.02 3f4i n GLU 478 Ca -0.20 -3.26 -0.26 0.00 -0.42 0.00 0.00 57.16 53.02 3f4i n GLU 478 Cb 1.04 -2.19 -0.09 0.00 -0.57 0.00 0.00 31.44 29.63 3f4i n GLU 478 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3f4i s THR 479 N -4.05 3.04 0.54 2.62 -4.23 -1.24 -4.93 115.64 107.39 3f4i s THR 479 Ca 0.58 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.06 3f4i s THR 479 Cb 0.48 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 3f4i s THR 479 CO 0.04 -0.18 1.25 -2.28 -0.54 0.00 0.00 174.62 172.91 3f4i s HIS 480 N -1.87 2.47 0.62 3.99 2.46 -1.26 -4.90 115.29 116.80 3f4i s HIS 480 Ca 0.26 1.47 0.34 0.00 0.47 0.00 0.00 55.06 57.60 3f4i s HIS 480 Cb -0.08 -3.57 2.00 0.00 -0.13 0.00 0.00 32.58 30.80 3f4i s HIS 480 CO 0.15 -2.29 2.28 0.11 -2.47 0.00 0.00 174.74 172.52 3f4i h TRP 481 N 1.39 0.00 0.00 3.88 5.08 -2.01 -2.17 115.95 122.12 3f4i h TRP 481 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.47 3f4i h TRP 481 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3f4i h TRP 481 CO 0.48 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 177.89 3f4i n THR 482 N -3.59 0.89 0.27 0.12 -2.24 -1.26 -2.02 114.28 106.45 3f4i n THR 482 Ca -0.03 0.38 0.10 0.00 -2.27 0.00 0.00 64.05 62.24 3f4i n THR 482 Cb 0.10 -1.33 0.73 0.00 -2.10 0.00 0.00 70.33 67.74 3f4i n THR 482 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3f4i h VAL 483 N 0.00 0.83 0.00 2.28 -1.51 -1.76 -1.87 116.25 114.22 3f4i h VAL 483 Ca 0.00 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 3f4i h VAL 483 Cb 0.26 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3f4i h VAL 483 CO 0.00 0.02 -0.13 -0.50 -1.23 0.00 0.00 177.57 175.73 3f4i h TRP 484 N 0.00 0.00 -0.17 5.19 4.06 -1.64 -1.41 115.95 121.97 3f4i h TRP 484 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3f4i h TRP 484 Cb 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 3f4i h TRP 484 CO 0.00 0.13 0.04 0.82 -3.56 0.00 0.00 178.44 175.86 3f4i h ILE 485 N 0.00 1.21 -0.35 1.49 2.04 -1.52 0.21 117.51 120.59 3f4i h ILE 485 Ca -0.00 -0.67 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 3f4i h ILE 485 Cb 0.54 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3f4i h ILE 485 CO 0.02 0.20 -0.32 0.74 0.00 0.00 0.00 178.15 178.79 3f4i h THR 486 N 0.08 1.28 -0.18 -0.27 2.02 -1.59 -1.88 112.91 112.38 3f4i h THR 486 Ca 0.05 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.76 3f4i h THR 486 Cb 0.28 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3f4i h THR 486 CO 0.00 0.49 0.09 0.03 0.37 0.00 0.00 175.52 176.50 3f4i h ARG 487 N 0.62 0.19 -0.32 6.66 3.08 -1.25 -0.98 114.38 122.38 3f4i h ARG 487 Ca 0.06 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3f4i h ARG 487 Cb 0.90 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 3f4i h ARG 487 CO 0.08 0.13 -0.02 0.35 -1.07 0.00 0.00 179.97 179.43 3f4i h PHE 488 N 0.20 -0.06 -0.34 3.04 3.57 -0.89 -1.04 116.94 121.42 3f4i h PHE 488 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3f4i h PHE 488 Cb 0.00 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3f4i h PHE 488 CO -0.09 -0.08 0.11 -0.92 -2.23 0.00 0.00 178.31 175.11 3f4i h TYR 489 N 0.06 0.54 0.00 0.41 3.20 -0.99 -1.35 116.97 118.85 3f4i h TYR 489 Ca 0.16 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3f4i h TYR 489 Cb 0.22 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3f4i h TYR 489 CO -0.25 0.53 -0.33 -0.84 -1.64 0.00 0.00 178.16 175.62 3f4i h ILE 490 N 0.40 0.70 -0.52 1.81 3.07 -1.05 -0.41 117.51 121.50 3f4i h ILE 490 Ca 0.11 -1.54 -0.10 0.00 1.55 0.00 0.00 64.86 64.88 3f4i h ILE 490 Cb 0.23 2.01 -0.02 0.00 -0.27 0.00 0.00 36.82 38.78 3f4i h ILE 490 CO -0.00 0.33 -0.07 0.40 -1.05 0.00 0.00 178.15 177.76 3f4i h ILE 491 N 0.00 1.27 -0.92 0.16 2.04 -1.04 -2.04 117.51 116.98 3f4i h ILE 491 Ca -0.00 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.68 3f4i h ILE 491 Cb 0.98 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3f4i h ILE 491 CO 0.04 0.42 0.60 1.23 0.00 0.00 0.00 178.15 180.45 3f4i h GLY 492 N 0.83 1.32 0.93 5.37 0.00 -0.62 -1.70 103.07 109.21 3f4i h GLY 492 Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.04 3f4i h GLY 492 CO 0.04 0.43 0.63 1.41 0.00 0.00 0.00 176.54 179.04 3f4i h LEU 493 N 1.20 1.04 -0.63 3.11 3.38 -0.81 0.33 115.31 122.93 3f4i h LEU 493 Ca 0.35 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 3f4i h LEU 493 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3f4i h LEU 493 CO -0.10 0.71 0.10 0.15 0.09 0.00 0.00 178.44 179.39 3f4i h PHE 494 N 1.20 1.11 -0.59 1.13 3.57 -0.64 -1.33 116.94 121.39 3f4i h PHE 494 Ca 0.38 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3f4i h PHE 494 Cb 0.01 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3f4i h PHE 494 CO -0.00 0.95 0.11 -0.07 -2.23 0.00 0.00 178.31 177.07 3f4i h LEU 495 N 0.95 0.93 -0.28 0.59 3.38 -0.83 -0.05 115.31 120.01 3f4i h LEU 495 Ca 0.19 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3f4i h LEU 495 Cb 0.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3f4i h LEU 495 CO 0.01 0.95 0.10 0.15 0.09 0.00 0.00 178.44 179.73 3f4i h PHE 496 N 0.88 0.17 -0.25 1.13 3.57 -0.75 -0.89 116.94 120.80 3f4i h PHE 496 Ca 0.18 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 3f4i h PHE 496 Cb 0.40 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3f4i h PHE 496 CO 0.03 0.08 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.79 3f4i h LEU 497 N 0.22 0.55 -0.94 0.59 3.38 -1.01 -1.74 115.31 116.35 3f4i h LEU 497 Ca 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3f4i h LEU 497 Cb 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3f4i h LEU 497 CO -0.13 0.84 0.47 0.74 0.09 0.00 0.00 178.44 180.46 3f4i h THR 498 N 0.45 1.25 -0.58 0.22 2.02 -0.79 -1.26 112.91 114.23 3f4i h THR 498 Ca 0.05 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 3f4i h THR 498 Cb 0.79 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3f4i h THR 498 CO 0.06 0.29 0.09 0.15 0.37 0.00 0.00 175.52 176.48 3f4i h PHE 499 N 1.22 0.99 -0.54 3.16 3.57 -0.70 -1.57 116.94 123.07 3f4i h PHE 499 Ca 0.31 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 3f4i h PHE 499 Cb 0.03 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3f4i h PHE 499 CO 0.01 0.85 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.86 3f4i h LEU 500 N 0.89 0.91 -0.64 0.59 3.38 -0.87 -0.47 115.31 119.09 3f4i h LEU 500 Ca 0.18 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3f4i h LEU 500 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3f4i h LEU 500 CO 0.01 0.97 0.11 0.58 0.09 0.00 0.00 178.44 180.20 3f4i h VAL 501 N 0.86 1.26 -0.51 1.22 2.07 -1.02 -0.41 116.25 119.72 3f4i h VAL 501 Ca 0.16 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3f4i h VAL 501 Cb 0.52 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3f4i h VAL 501 CO 0.03 0.38 0.32 0.15 0.02 0.00 0.00 177.57 178.47 3f4i h PHE 502 N 0.97 0.61 -0.34 1.57 3.57 -0.95 -1.61 116.94 120.77 3f4i h PHE 502 Ca 0.20 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3f4i h PHE 502 Cb 0.43 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3f4i h PHE 502 CO 0.03 0.37 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.35 3f4i h LEU 503 N 0.65 0.52 -0.78 0.59 3.38 -0.77 -2.15 115.31 116.75 3f4i h LEU 503 Ca 0.20 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3f4i h LEU 503 Cb -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3f4i h LEU 503 CO -0.07 0.63 0.04 0.00 0.09 0.00 0.00 178.44 179.13 3f4i h ALA 504 N 1.43 0.98 -0.49 1.53 0.00 -0.62 -1.29 119.26 120.79 3f4i h ALA 504 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3f4i h ALA 504 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3f4i h ALA 504 CO 0.02 0.63 0.18 0.93 0.00 0.00 0.00 179.25 181.00 3f4i h GLU 505 N 0.89 0.75 -0.35 0.00 5.08 -0.85 -2.01 114.58 118.09 3f4i h GLU 505 Ca 0.17 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3f4i h GLU 505 Cb 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3f4i h GLU 505 CO 0.02 0.69 -0.15 0.00 -1.00 0.00 0.00 179.01 178.56 3f4i h ARG 506 N 0.66 0.63 -0.42 2.33 2.47 -1.13 -0.30 114.38 118.62 3f4i h ARG 506 Ca 0.16 -0.21 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 3f4i h ARG 506 Cb 0.23 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3f4i h ARG 506 CO -0.01 0.76 -0.22 -0.09 0.56 0.00 0.00 179.97 180.97 3f4i h ARG 507 N 0.57 0.84 -0.31 0.04 2.43 -1.13 -1.84 114.38 114.98 3f4i h ARG 507 Ca 0.10 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 3f4i h ARG 507 Cb 0.59 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3f4i h ARG 507 CO 0.04 0.98 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.37 3f4i h ARG 508 N 0.73 0.56 -0.29 0.20 2.43 -0.95 -0.76 114.38 116.30 3f4i h ARG 508 Ca 0.10 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3f4i h ARG 508 Cb 0.75 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3f4i h ARG 508 CO 0.06 0.71 0.18 -0.91 -1.51 0.00 0.00 179.97 178.51 3f4i h ASN 509 N 0.35 0.35 0.04 -3.80 -0.26 -0.98 -0.19 115.58 111.09 3f4i h ASN 509 Ca 0.09 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.74 3f4i h ASN 509 Cb 0.47 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3f4i h ASN 509 CO 0.02 0.28 -0.16 -0.74 -1.06 0.00 0.00 177.43 175.76 3f4i h HIS 510 N 0.38 0.27 -0.15 1.19 2.76 -1.30 -2.07 115.15 116.23 3f4i h HIS 510 Ca 0.11 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 3f4i h HIS 510 Cb -0.01 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 3f4i h HIS 510 CO -0.05 0.41 -0.13 1.49 -1.30 0.00 0.00 177.93 178.36 3f4i h GLU 511 N 0.24 0.35 -0.31 5.26 4.57 -0.62 -3.01 114.58 121.07 3f4i h GLU 511 Ca 0.05 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 3f4i h GLU 511 Cb 0.44 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3f4i h GLU 511 CO 0.03 0.72 -0.07 0.77 -1.18 0.00 0.00 179.01 179.27 3f4i h SER 512 N -0.00 0.47 0.52 1.04 0.02 -0.91 -1.75 113.55 112.93 3f4i h SER 512 Ca 0.03 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3f4i h SER 512 Cb 0.64 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 3f4i h SER 512 CO 0.03 0.60 -0.04 0.00 -1.14 0.00 0.00 176.83 176.27 3f4i h ALA 513 N 1.46 1.08 0.02 3.77 0.00 -1.32 -2.76 119.26 121.52 3f4i h ALA 513 Ca 0.09 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 3f4i h ALA 513 Cb 0.42 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3f4i h ALA 513 CO 0.02 0.05 -1.80 0.41 0.00 0.00 0.00 179.25 177.93 3f4i n GLY 514 N -0.51 -0.93 0.29 0.00 0.00 -0.72 -5.10 105.19 98.22 3f4i n GLY 514 Ca -0.01 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.06 3f4i n GLY 514 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02