#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg0 h TYR -5 N 0.00 -0.06 0.00 -1.77 0.05 -1.99 -1.28 116.97 111.92 3fg0 h TYR -5 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3fg0 h TYR -5 Cb 0.00 0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3fg0 h TYR -5 CO 0.00 -0.14 0.00 0.74 -1.05 0.00 0.00 178.16 177.71 3fg0 h PHE -4 N 0.11 0.00 0.21 4.88 0.04 -1.97 0.10 116.94 120.31 3fg0 h PHE -4 Ca 0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 3fg0 h PHE -4 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 3fg0 h PHE -4 CO -0.35 0.00 -0.10 0.37 -0.60 0.00 0.00 178.31 177.63 3fg0 h GLN -3 N 0.00 -0.27 0.00 1.51 4.15 -1.65 0.16 115.11 119.00 3fg0 h GLN -3 Ca 0.00 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 3fg0 h GLN -3 Cb 0.94 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 3fg0 h GLN -3 CO 0.00 0.10 -0.16 0.66 -1.93 0.00 0.00 178.83 177.50 3fg0 h SER -2 N -0.89 0.00 -0.31 -0.69 4.64 -1.30 -2.20 113.55 112.79 3fg0 h SER -2 Ca -0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 3fg0 h SER -2 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3fg0 h SER -2 CO 0.05 0.16 -0.42 -1.13 -0.87 0.00 0.00 176.83 174.62 3fg0 h ASN -1 N 0.00 0.92 -0.85 4.97 -1.24 -0.74 -2.21 115.58 116.43 3fg0 h ASN -1 Ca -0.00 -0.50 0.00 0.00 0.71 0.00 0.00 56.30 56.51 3fg0 h ASN -1 Cb 0.31 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 3fg0 h ASN -1 CO 0.02 1.24 0.54 0.00 -1.29 0.00 0.00 177.43 177.94 3fg0 h ALA 0 N 0.71 1.36 0.00 1.57 0.00 -0.52 -1.25 119.26 121.13 3fg0 h ALA 0 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3fg0 h ALA 0 Cb 1.02 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fg0 h ALA 0 CO 0.10 0.58 -0.15 0.52 0.00 0.00 0.00 179.25 180.30 3fg0 h MET 1 N 1.16 0.00 -0.25 0.00 2.86 -1.24 -2.30 114.93 115.17 3fg0 h MET 1 Ca 0.31 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.79 3fg0 h MET 1 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3fg0 h MET 1 CO -0.06 0.15 -0.45 0.93 1.06 0.00 0.00 176.91 178.54 3fg0 h GLU 2 N 0.00 0.74 -0.66 1.72 5.08 -0.62 -3.03 114.58 117.81 3fg0 h GLU 2 Ca -0.00 -0.47 0.13 0.00 -1.00 0.00 0.00 59.36 58.02 3fg0 h GLU 2 Cb 0.60 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3fg0 h GLU 2 CO 0.02 1.09 0.45 -0.07 -1.00 0.00 0.00 179.01 179.50 3fg0 h LEU 3 N 0.48 0.33 -1.71 1.33 3.38 -0.80 -2.05 115.31 116.26 3fg0 h LEU 3 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fg0 h LEU 3 Cb 1.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3fg0 h LEU 3 CO 0.10 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.74 3fg0 h LEU 4 N 0.35 0.00 -2.15 1.67 3.38 -1.37 -1.98 115.31 115.21 3fg0 h LEU 4 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3fg0 h LEU 4 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3fg0 h LEU 4 CO -0.09 0.00 -0.06 0.11 0.09 0.00 0.00 178.44 178.49 3fg0 h LYS 5 N 0.00 0.00 -0.03 1.13 1.57 -1.48 -2.93 116.57 114.82 3fg0 h LYS 5 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fg0 h LYS 5 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3fg0 h LYS 5 CO 0.00 0.06 0.00 0.72 -0.57 0.00 0.00 179.45 179.66 3fg0 n HIS 6 N -3.46 0.03 -3.06 -1.35 8.25 -0.75 -5.00 115.22 109.88 3fg0 n HIS 6 Ca -0.02 -0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 3fg0 n HIS 6 Cb 0.19 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 3fg0 n HIS 6 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fg0 s LEU 7 N -0.94 4.51 0.57 2.41 2.96 -1.11 -5.03 118.68 122.05 3fg0 s LEU 7 Ca 0.14 1.45 -0.21 0.00 -0.22 0.00 0.00 54.13 55.29 3fg0 s LEU 7 Cb 0.10 -3.16 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 3fg0 s LEU 7 CO 0.14 0.14 1.23 -0.24 -1.32 0.00 0.00 176.35 176.31 3fg0 n SER 8 N 2.17 2.05 -0.53 3.68 2.88 -1.26 -4.94 113.62 117.67 3fg0 n SER 8 Ca -0.06 0.92 0.06 0.00 -1.33 0.00 0.00 58.87 58.46 3fg0 n SER 8 Cb 0.50 -1.51 0.08 0.00 -0.75 0.00 0.00 64.21 62.52 3fg0 n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fg0 n GLN 9 N -1.08 1.27 -4.23 -1.46 6.02 -1.26 -4.99 117.38 111.64 3fg0 n GLN 9 Ca 0.12 -1.45 -0.27 0.00 -0.01 0.00 0.00 57.00 55.39 3fg0 n GLN 9 Cb 0.45 -1.24 -0.07 0.00 1.02 0.00 0.00 30.24 30.40 3fg0 n GLN 9 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fg0 s ARG 10 N -0.99 2.20 0.67 -1.09 0.52 -1.26 -0.58 118.95 118.42 3fg0 s ARG 10 Ca 0.17 -1.99 -0.09 0.00 -0.52 0.00 0.00 55.73 53.29 3fg0 s ARG 10 Cb 0.11 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.69 3fg0 s ARG 10 CO 0.15 -0.24 1.03 -0.65 0.02 0.00 0.00 175.30 175.62 3fg0 s GLN 11 N -3.95 2.85 -0.25 3.54 -0.21 0.00 -4.82 119.66 116.82 3fg0 s GLN 11 Ca 0.33 0.28 0.00 0.00 0.02 0.00 0.00 55.36 56.00 3fg0 s GLN 11 Cb 0.03 -2.11 0.07 0.00 1.00 0.00 0.00 33.01 32.00 3fg0 s GLN 11 CO 0.19 -0.94 -0.01 -0.47 -2.12 0.00 0.00 175.29 171.94 3fg0 s TYR 12 N -3.24 2.29 -0.06 0.91 5.04 -0.57 0.01 117.35 121.72 3fg0 s TYR 12 Ca 0.57 -1.78 -0.00 0.00 -2.44 0.00 0.00 57.07 53.42 3fg0 s TYR 12 Cb -0.11 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.55 3fg0 s TYR 12 CO 0.49 -0.79 -0.03 0.42 -1.34 0.00 0.00 175.55 174.30 3fg0 s ILE 13 N 1.43 0.54 -1.34 3.14 1.01 0.12 0.09 121.20 126.19 3fg0 s ILE 13 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 3fg0 s ILE 13 Cb -0.18 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 3fg0 s ILE 13 CO -0.09 0.26 0.56 -0.67 0.00 0.00 0.00 174.94 174.99 3fg0 n ASP 14 N 4.56 -1.11 0.00 3.58 2.03 -1.26 -2.15 116.55 122.20 3fg0 n ASP 14 Ca -0.17 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3fg0 n ASP 14 Cb 0.50 -3.46 0.00 0.00 -0.72 0.00 0.00 41.12 37.44 3fg0 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fg0 n GLY 15 N -1.80 0.65 3.07 0.27 0.00 -1.26 -4.62 105.19 101.50 3fg0 n GLY 15 Ca -0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3fg0 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg0 s GLU 16 N -0.09 1.01 -0.07 1.61 2.02 -0.91 -5.07 118.70 117.20 3fg0 s GLU 16 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3fg0 s GLU 16 Cb 0.00 -0.97 -0.02 0.00 0.10 0.00 0.00 34.13 33.24 3fg0 s GLU 16 CO 0.00 0.25 0.99 -1.58 0.02 0.00 0.00 175.26 174.94 3fg0 s TRP 17 N -0.24 3.56 -0.00 1.61 0.52 -1.26 -0.70 118.94 122.43 3fg0 s TRP 17 Ca 0.04 1.61 -0.05 0.00 0.02 0.00 0.00 56.10 57.72 3fg0 s TRP 17 Cb -0.05 -3.15 -0.00 0.00 -1.15 0.00 0.00 33.47 29.12 3fg0 s TRP 17 CO -0.00 -0.14 0.10 0.14 0.02 0.00 0.00 176.95 177.06 3fg0 s VAL 18 N 1.65 0.08 0.97 4.03 -7.23 0.10 -4.95 120.40 115.05 3fg0 s VAL 18 Ca 0.49 -0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 3fg0 s VAL 18 Cb -0.19 -0.35 0.17 0.00 0.56 0.00 0.00 36.38 36.57 3fg0 s VAL 18 CO 0.21 -0.34 1.13 -1.61 -0.31 0.00 0.00 175.10 174.17 3fg0 s GLU 19 N -1.16 0.64 0.52 4.82 2.02 -1.26 -0.82 118.70 123.46 3fg0 s GLU 19 Ca -0.13 0.30 -0.22 0.00 0.02 0.00 0.00 54.97 54.94 3fg0 s GLU 19 Cb -0.07 -1.78 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 3fg0 s GLU 19 CO 0.01 -2.54 1.30 0.45 0.02 0.00 0.00 175.26 174.50 3fg0 s SER 20 N -3.85 5.55 0.53 -0.19 0.15 -1.26 -4.83 113.70 109.79 3fg0 s SER 20 Ca 0.65 2.63 0.22 0.00 0.70 0.00 0.00 55.95 60.14 3fg0 s SER 20 Cb -0.15 -2.63 1.34 0.00 -1.71 0.00 0.00 66.02 62.88 3fg0 s SER 20 CO 0.55 -1.36 2.06 0.00 1.20 0.00 0.00 173.24 175.68 3fg0 h ALA 21 N 1.65 2.30 -0.60 5.45 0.00 -1.95 -1.01 119.26 125.11 3fg0 h ALA 21 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3fg0 h ALA 21 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3fg0 h ALA 21 CO 0.58 -0.40 0.00 0.27 0.00 0.00 0.00 179.25 179.70 3fg0 n ASN 22 N -4.44 3.96 -0.78 0.00 0.23 -1.26 -4.96 115.26 108.01 3fg0 n ASN 22 Ca 0.05 -2.17 -0.10 0.00 -0.53 0.00 0.00 54.58 51.83 3fg0 n ASN 22 Cb 0.40 -0.46 -0.04 0.00 -2.08 0.00 0.00 39.78 37.60 3fg0 n ASN 22 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3fg0 n LYS 23 N 1.15 -1.73 -1.87 -3.83 5.02 -0.38 -4.97 118.16 111.56 3fg0 n LYS 23 Ca 0.22 0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 56.99 3fg0 n LYS 23 Cb 0.67 -5.22 0.04 0.00 -0.02 0.00 0.00 35.03 30.50 3fg0 n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fg0 s ASN 24 N -2.30 5.11 0.19 4.39 2.47 -1.26 -4.92 114.94 118.62 3fg0 s ASN 24 Ca 0.00 2.17 -0.03 0.00 0.42 0.00 0.00 52.86 55.42 3fg0 s ASN 24 Cb 0.00 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 3fg0 s ASN 24 CO 0.00 -1.63 0.18 0.42 -3.72 0.00 0.00 177.10 172.34 3fg0 s THR 25 N -2.00 0.03 0.01 -5.21 -4.23 -1.26 -1.29 115.64 101.68 3fg0 s THR 25 Ca 0.72 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3fg0 s THR 25 Cb -0.25 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 3fg0 s THR 25 CO 0.37 -0.12 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.71 3fg0 s ARG 26 N -4.10 0.14 -0.12 3.99 3.52 0.13 -4.69 118.95 117.82 3fg0 s ARG 26 Ca 0.32 -0.25 -0.15 0.00 -0.13 0.00 0.00 55.73 55.52 3fg0 s ARG 26 Cb 0.06 0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 33.42 3fg0 s ARG 26 CO 0.08 -0.01 0.36 -0.51 -0.81 0.00 0.00 175.30 174.41 3fg0 s ASP 27 N -0.57 6.57 -0.09 -2.12 1.01 -1.26 -0.59 116.67 119.62 3fg0 s ASP 27 Ca -0.06 0.68 -0.07 0.00 0.71 0.00 0.00 52.55 53.80 3fg0 s ASP 27 Cb -0.04 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 3fg0 s ASP 27 CO -0.00 0.12 0.19 -0.63 0.21 0.00 0.00 175.17 175.05 3fg0 s ILE 28 N 0.19 5.43 0.05 0.77 -1.09 0.16 -4.99 121.20 121.72 3fg0 s ILE 28 Ca 0.21 0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.94 3fg0 s ILE 28 Cb -0.14 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 3fg0 s ILE 28 CO 0.07 0.57 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.56 3fg0 s ILE 29 N -1.09 2.92 -0.34 2.92 -1.09 -1.26 -0.20 121.20 123.06 3fg0 s ILE 29 Ca 0.18 -1.20 -0.21 0.00 -2.23 0.00 0.00 60.65 57.19 3fg0 s ILE 29 Cb -0.13 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 3fg0 s ILE 29 CO 0.07 0.29 0.67 0.21 -1.23 0.00 0.00 174.94 174.96 3fg0 s ASN 30 N -1.59 6.48 0.36 3.58 3.84 -0.38 -4.76 114.94 122.47 3fg0 s ASN 30 Ca 0.16 0.28 0.26 0.00 0.21 0.00 0.00 52.86 53.77 3fg0 s ASN 30 Cb -0.11 -2.35 1.26 0.00 -0.55 0.00 0.00 41.25 39.51 3fg0 s ASN 30 CO 0.07 -0.60 1.80 1.55 -2.79 0.00 0.00 177.10 177.13 3fg0 h PRO 31 N 8.39 0.00 -0.26 0.43 0.13 -1.79 0.37 132.00 139.26 3fg0 h PRO 31 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 3fg0 h PRO 31 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3fg0 h PRO 31 CO 0.85 0.00 -0.30 -0.92 -0.23 0.00 0.00 178.00 177.39 3fg0 h TYR 32 N 0.00 0.62 0.00 1.56 3.20 -1.90 -1.66 116.97 118.79 3fg0 h TYR 32 Ca 0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3fg0 h TYR 32 Cb 0.21 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3fg0 h TYR 32 CO 0.00 0.78 0.00 0.27 -1.64 0.00 0.00 178.16 177.57 3fg0 n ASN 33 N -4.08 0.43 -1.97 -2.11 0.23 -1.07 -2.94 115.26 103.75 3fg0 n ASN 33 Ca -0.01 -1.10 -0.17 0.00 -0.53 0.00 0.00 54.58 52.77 3fg0 n ASN 33 Cb 0.45 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 3fg0 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fg0 n GLN 34 N -0.05 -1.65 -3.10 -3.83 6.02 0.13 -4.74 117.38 110.16 3fg0 n GLN 34 Ca 0.00 0.92 -0.34 0.00 -0.01 0.00 0.00 57.00 57.57 3fg0 n GLN 34 Cb 0.24 -5.41 -0.06 0.00 1.02 0.00 0.00 30.24 26.03 3fg0 n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3fg0 s GLU 35 N -4.26 4.12 -0.08 -1.09 0.41 -1.24 -4.80 118.70 111.77 3fg0 s GLU 35 Ca 0.00 0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 55.05 3fg0 s GLU 35 Cb 0.00 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.72 3fg0 s GLU 35 CO 0.00 0.24 1.20 0.08 -0.49 0.00 0.00 175.26 176.29 3fg0 s VAL 36 N -1.81 4.29 -0.25 2.63 1.01 -1.26 -1.25 120.40 123.76 3fg0 s VAL 36 Ca 0.50 1.61 0.08 0.00 0.00 0.00 0.00 61.98 64.16 3fg0 s VAL 36 Cb -0.13 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 3fg0 s VAL 36 CO 0.19 -0.03 0.28 2.30 0.00 0.00 0.00 175.10 177.84 3fg0 n ILE 37 N 4.75 0.00 -3.54 2.22 -5.35 0.73 -4.95 119.36 113.21 3fg0 n ILE 37 Ca 0.11 -0.27 -0.08 0.00 -0.27 0.00 0.00 62.75 62.24 3fg0 n ILE 37 Cb 0.46 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 39.11 3fg0 n ILE 37 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3fg0 s PHE 38 N -2.00 -0.31 -0.08 4.28 5.36 -1.20 -5.00 117.98 119.03 3fg0 s PHE 38 Ca 0.01 0.30 0.01 0.00 -0.96 0.00 0.00 56.93 56.29 3fg0 s PHE 38 Cb 0.06 0.51 0.02 0.00 -0.34 0.00 0.00 43.02 43.26 3fg0 s PHE 38 CO 0.33 -0.43 -0.10 0.99 -1.46 0.00 0.00 175.22 174.55 3fg0 s THR 39 N -2.45 1.05 0.26 0.12 2.01 -1.26 0.37 115.64 115.74 3fg0 s THR 39 Ca 0.04 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.72 3fg0 s THR 39 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 3fg0 s THR 39 CO -0.05 0.35 -0.10 0.68 -0.69 0.00 0.00 174.62 174.81 3fg0 s VAL 40 N 0.98 1.75 0.43 3.82 -7.23 0.24 -4.82 120.40 115.57 3fg0 s VAL 40 Ca -0.09 -2.17 -0.26 0.00 -1.81 0.00 0.00 61.98 57.65 3fg0 s VAL 40 Cb -0.15 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 3fg0 s VAL 40 CO 0.00 -0.39 1.44 -1.20 -0.31 0.00 0.00 175.10 174.64 3fg0 n SER 41 N -0.53 3.43 -4.05 4.85 7.64 0.25 0.19 113.62 125.39 3fg0 n SER 41 Ca -0.06 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.64 3fg0 n SER 41 Cb 0.62 -1.60 -0.14 0.00 -1.01 0.00 0.00 64.21 62.08 3fg0 n SER 41 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fg0 s GLU 42 N -2.35 1.71 0.81 1.43 2.56 -0.41 -4.56 118.70 117.89 3fg0 s GLU 42 Ca 0.59 -1.95 -0.11 0.00 0.00 0.00 0.00 54.97 53.50 3fg0 s GLU 42 Cb -0.46 -3.35 0.08 0.00 2.00 0.00 0.00 34.13 32.41 3fg0 s GLU 42 CO 0.59 -1.00 1.10 0.20 -0.56 0.00 0.00 175.26 175.59 3fg0 s GLY 43 N 1.05 1.67 0.34 -1.50 0.00 0.25 -4.43 107.32 104.70 3fg0 s GLY 43 Ca 0.11 0.29 0.07 0.00 0.00 0.00 0.00 44.72 45.19 3fg0 s GLY 43 CO -0.06 0.66 0.30 -0.51 0.00 0.00 0.00 173.10 173.49 3fg0 s THR 44 N -2.86 3.45 0.53 0.90 -4.23 -1.26 -4.75 115.64 107.42 3fg0 s THR 44 Ca 0.62 -1.38 0.19 0.00 -1.18 0.00 0.00 61.69 59.95 3fg0 s THR 44 Cb -0.18 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.78 3fg0 s THR 44 CO 0.56 -0.16 2.17 0.07 -0.54 0.00 0.00 174.62 176.72 3fg0 h LYS 45 N 1.24 0.00 -0.06 3.99 2.10 -1.94 -1.60 116.57 120.30 3fg0 h LYS 45 Ca -0.44 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.05 3fg0 h LYS 45 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3fg0 h LYS 45 CO 0.58 0.01 -0.65 0.93 -2.00 0.00 0.00 179.45 178.32 3fg0 h GLU 46 N 0.00 0.23 -0.51 0.07 3.07 -1.95 -1.43 114.58 114.06 3fg0 h GLU 46 Ca -0.00 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 3fg0 h GLU 46 Cb 0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3fg0 h GLU 46 CO 0.00 0.80 0.23 -0.44 -1.40 0.00 0.00 179.01 178.20 3fg0 h ASP 47 N 0.16 0.68 -0.56 1.42 3.32 -1.71 -0.88 116.42 118.85 3fg0 h ASP 47 Ca -0.01 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3fg0 h ASP 47 Cb 1.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3fg0 h ASP 47 CO 0.10 0.64 0.30 0.00 -1.72 0.00 0.00 179.24 178.56 3fg0 h ALA 48 N 1.07 0.72 -0.65 3.45 0.00 -1.20 -0.80 119.26 121.85 3fg0 h ALA 48 Ca 0.17 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 48 Cb 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3fg0 h ALA 48 CO -0.02 0.25 0.18 1.49 0.00 0.00 0.00 179.25 181.16 3fg0 h GLU 49 N 0.76 1.03 -0.78 0.00 4.81 -1.13 -1.68 114.58 117.60 3fg0 h GLU 49 Ca 0.20 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3fg0 h GLU 49 Cb 0.06 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3fg0 h GLU 49 CO -0.03 0.92 0.51 -0.09 -0.73 0.00 0.00 179.01 179.58 3fg0 h ARG 50 N 0.96 1.04 -0.57 1.92 2.43 -0.81 -0.59 114.38 118.76 3fg0 h ARG 50 Ca 0.21 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3fg0 h ARG 50 Cb 0.33 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3fg0 h ARG 50 CO -0.00 0.70 0.32 0.00 -1.51 0.00 0.00 179.97 179.48 3fg0 h ALA 51 N 1.28 0.73 -0.63 2.80 0.00 -0.89 -0.54 119.26 122.00 3fg0 h ALA 51 Ca 0.28 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3fg0 h ALA 51 Cb -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3fg0 h ALA 51 CO -0.06 0.23 0.14 0.82 0.00 0.00 0.00 179.25 180.38 3fg0 h ILE 52 N 0.76 1.26 -0.25 0.00 2.04 -0.83 -0.08 117.51 120.41 3fg0 h ILE 52 Ca 0.20 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 3fg0 h ILE 52 Cb 0.02 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3fg0 h ILE 52 CO -0.03 0.36 -0.29 -0.07 0.00 0.00 0.00 178.15 178.12 3fg0 h LEU 53 N 0.94 0.52 -0.39 1.44 3.38 -0.90 -0.37 115.31 119.92 3fg0 h LEU 53 Ca 0.20 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3fg0 h LEU 53 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3fg0 h LEU 53 CO 0.00 0.79 -0.08 0.00 0.09 0.00 0.00 178.44 179.24 3fg0 h ALA 54 N 1.25 0.54 -0.76 1.53 0.00 -0.82 -0.20 119.26 120.80 3fg0 h ALA 54 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3fg0 h ALA 54 Cb 0.73 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3fg0 h ALA 54 CO 0.06 0.39 0.50 0.00 0.00 0.00 0.00 179.25 180.20 3fg0 h ALA 55 N 0.84 0.96 -0.31 0.00 0.00 -0.71 -0.50 119.26 119.54 3fg0 h ALA 55 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 55 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3fg0 h ALA 55 CO 0.04 0.38 0.10 -0.09 0.00 0.00 0.00 179.25 179.67 3fg0 h ARG 56 N 1.03 0.48 -0.61 0.00 9.65 -0.84 -0.69 114.38 123.39 3fg0 h ARG 56 Ca 0.28 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 59.02 3fg0 h ARG 56 Cb -0.12 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 3fg0 h ARG 56 CO -0.06 0.52 0.22 -0.09 2.80 0.00 0.00 179.97 183.36 3fg0 h ARG 57 N 0.34 0.91 -0.42 0.20 2.43 -0.77 -0.31 114.38 116.75 3fg0 h ARG 57 Ca 0.10 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3fg0 h ARG 57 Cb 0.24 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3fg0 h ARG 57 CO -0.00 0.76 -0.12 0.00 -1.51 0.00 0.00 179.97 179.10 3fg0 h ALA 58 N 1.36 0.58 -0.30 2.80 0.00 -0.99 -1.68 119.26 121.02 3fg0 h ALA 58 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fg0 h ALA 58 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fg0 h ALA 58 CO -0.01 0.48 0.12 0.35 0.00 0.00 0.00 179.25 180.18 3fg0 h PHE 59 N 0.65 0.45 0.00 0.00 3.57 -0.37 -2.69 116.94 118.54 3fg0 h PHE 59 Ca 0.10 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 3fg0 h PHE 59 Cb 0.66 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3fg0 h PHE 59 CO 0.05 0.44 -0.42 0.93 -2.23 0.00 0.00 178.31 177.08 3fg0 h GLU 60 N 0.33 0.00 -0.69 1.11 4.39 -1.09 -2.40 114.58 116.24 3fg0 h GLU 60 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 3fg0 h GLU 60 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3fg0 h GLU 60 CO -0.01 0.42 0.43 0.66 -1.16 0.00 0.00 179.01 179.35 3fg0 h SER 61 N 0.00 0.82 0.00 1.42 4.64 -0.99 -3.47 113.55 115.97 3fg0 h SER 61 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3fg0 h SER 61 Cb 0.75 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3fg0 h SER 61 CO 0.06 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 3fg0 n GLY 62 N -1.35 0.82 0.35 -0.77 0.00 -0.90 -4.94 105.19 98.41 3fg0 n GLY 62 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3fg0 n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg0 h GLU 63 N 3.20 0.73 0.00 1.61 5.08 -1.85 0.90 114.58 124.25 3fg0 h GLU 63 Ca 0.00 -0.04 -0.43 0.00 -1.00 0.00 0.00 59.36 57.89 3fg0 h GLU 63 Cb 0.00 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 3fg0 h GLU 63 CO 0.00 0.48 -2.47 1.87 -1.00 0.00 0.00 179.01 177.89 3fg0 n TRP 64 N -4.47 0.07 0.25 4.33 -0.00 -1.26 -3.85 117.44 112.51 3fg0 n TRP 64 Ca 0.10 0.02 0.13 0.00 -0.00 0.00 0.00 57.50 57.75 3fg0 n TRP 64 Cb 0.20 -1.01 0.66 0.00 -0.00 0.00 0.00 31.31 31.16 3fg0 n TRP 64 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3fg0 h SER 65 N -0.62 0.00 -0.25 5.87 4.64 -1.60 -2.22 113.55 119.37 3fg0 h SER 65 Ca -0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3fg0 h SER 65 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3fg0 h SER 65 CO -0.29 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 175.81 3fg0 n GLN 66 N -3.49 1.99 -1.60 4.77 1.13 0.31 -4.88 117.38 115.60 3fg0 n GLN 66 Ca -0.01 -1.87 -0.34 0.00 -1.94 0.00 0.00 57.00 52.84 3fg0 n GLN 66 Cb 0.30 -1.36 0.07 0.00 0.11 0.00 0.00 30.24 29.36 3fg0 n GLN 66 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fg0 s GLU 67 N -1.22 2.46 0.54 -1.09 2.56 -0.84 -4.95 118.70 116.17 3fg0 s GLU 67 Ca 0.26 1.59 -0.20 0.00 0.00 0.00 0.00 54.97 56.62 3fg0 s GLU 67 Cb 0.16 -1.89 -0.05 0.00 2.00 0.00 0.00 34.13 34.34 3fg0 s GLU 67 CO 0.22 -1.55 1.18 0.95 -0.56 0.00 0.00 175.26 175.51 3fg0 s THR 68 N -2.14 2.88 0.24 -1.70 -4.23 -1.26 -4.86 115.64 104.56 3fg0 s THR 68 Ca 0.71 0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 61.73 3fg0 s THR 68 Cb -0.25 -3.26 0.21 0.00 1.34 0.00 0.00 72.50 70.55 3fg0 s THR 68 CO 0.43 -0.08 1.88 0.00 -0.54 0.00 0.00 174.62 176.30 3fg0 h ALA 69 N 1.32 1.16 -0.30 3.99 0.00 -1.92 -0.86 119.26 122.64 3fg0 h ALA 69 Ca -0.50 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.42 3fg0 h ALA 69 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3fg0 h ALA 69 CO 0.57 0.40 0.03 1.49 0.00 0.00 0.00 179.25 181.74 3fg0 h GLU 70 N 1.09 0.12 -0.39 0.00 4.81 -1.91 0.19 114.58 118.48 3fg0 h GLU 70 Ca 0.35 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3fg0 h GLU 70 Cb 0.02 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3fg0 h GLU 70 CO -0.12 0.08 -0.16 1.15 -0.73 0.00 0.00 179.01 179.23 3fg0 h THR 71 N 0.12 1.26 -0.69 0.32 2.02 -1.81 -1.57 112.91 112.56 3fg0 h THR 71 Ca 0.14 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 3fg0 h THR 71 Cb 0.17 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3fg0 h THR 71 CO -0.21 0.41 0.36 0.03 0.37 0.00 0.00 175.52 176.48 3fg0 h ARG 72 N 0.65 0.98 -0.95 6.66 3.08 -0.70 -1.80 114.38 122.31 3fg0 h ARG 72 Ca 0.10 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3fg0 h ARG 72 Cb 0.63 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 3fg0 h ARG 72 CO 0.04 0.75 0.61 0.78 -1.07 0.00 0.00 179.97 181.09 3fg0 h GLY 73 N 0.95 1.39 1.11 0.04 0.00 -0.62 -0.88 103.07 105.07 3fg0 h GLY 73 Ca 0.24 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3fg0 h GLY 73 CO -0.04 0.38 0.28 0.50 0.00 0.00 0.00 176.54 177.66 3fg0 h LYS 74 N 1.17 1.12 -0.22 4.80 1.57 -0.52 -0.65 116.57 123.85 3fg0 h LYS 74 Ca 0.38 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 3fg0 h LYS 74 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3fg0 h LYS 74 CO -0.13 0.92 -0.46 0.87 -0.57 0.00 0.00 179.45 180.08 3fg0 h LYS 75 N 1.09 0.55 -0.22 3.15 1.57 -0.78 -1.18 116.57 120.76 3fg0 h LYS 75 Ca 0.25 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3fg0 h LYS 75 Cb 0.23 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3fg0 h LYS 75 CO -0.02 0.90 -0.30 0.28 -0.57 0.00 0.00 179.45 179.74 3fg0 h VAL 76 N 0.45 1.28 -0.53 0.50 2.07 -0.82 -2.07 116.25 117.13 3fg0 h VAL 76 Ca 0.03 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 3fg0 h VAL 76 Cb 0.97 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3fg0 h VAL 76 CO 0.09 0.42 0.01 -0.09 0.02 0.00 0.00 177.57 178.01 3fg0 h ARG 77 N 0.38 0.89 -0.56 1.57 2.43 -0.88 -1.52 114.38 116.68 3fg0 h ARG 77 Ca 0.05 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3fg0 h ARG 77 Cb 0.72 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 3fg0 h ARG 77 CO 0.06 0.88 0.20 0.00 -1.51 0.00 0.00 179.97 179.59 3fg0 h ALA 78 N 1.18 1.29 -0.26 2.80 0.00 -0.57 0.15 119.26 123.86 3fg0 h ALA 78 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 78 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fg0 h ALA 78 CO 0.02 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.62 3fg0 h ILE 79 N 0.81 1.25 -0.70 0.00 2.04 -0.84 -1.77 117.51 118.29 3fg0 h ILE 79 Ca 0.19 -0.87 0.12 0.00 1.00 0.00 0.00 64.86 65.29 3fg0 h ILE 79 Cb 0.20 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 3fg0 h ILE 79 CO -0.01 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.70 3fg0 h ALA 80 N 0.83 0.96 -0.48 1.87 0.00 -0.57 -1.56 119.26 120.30 3fg0 h ALA 80 Ca 0.07 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3fg0 h ALA 80 Cb 0.39 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3fg0 h ALA 80 CO 0.01 -0.17 -0.03 -0.44 0.00 0.00 0.00 179.25 178.62 3fg0 h ASP 81 N 0.47 0.80 -0.89 0.00 3.32 -0.75 -2.43 116.42 116.94 3fg0 h ASP 81 Ca 0.37 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3fg0 h ASP 81 Cb 0.49 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3fg0 h ASP 81 CO -0.35 0.89 0.58 0.11 -1.72 0.00 0.00 179.24 178.75 3fg0 h LYS 82 N 0.76 1.11 -0.58 3.56 1.79 -0.44 -0.59 116.57 122.19 3fg0 h LYS 82 Ca 0.14 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3fg0 h LYS 82 Cb 0.50 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3fg0 h LYS 82 CO 0.03 0.74 0.38 0.82 -1.08 0.00 0.00 179.45 180.34 3fg0 h ILE 83 N 1.15 1.14 -0.45 1.86 1.08 -0.90 -1.08 117.51 120.30 3fg0 h ILE 83 Ca 0.35 -0.27 -0.12 0.00 -0.39 0.00 0.00 64.86 64.43 3fg0 h ILE 83 Cb -0.04 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 3fg0 h ILE 83 CO -0.10 0.14 -0.19 0.50 -0.69 0.00 0.00 178.15 177.81 3fg0 h LYS 84 N 0.78 0.90 -0.44 2.37 3.64 -1.11 -1.34 116.57 121.37 3fg0 h LYS 84 Ca 0.21 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 3fg0 h LYS 84 Cb -0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3fg0 h LYS 84 CO -0.05 1.01 0.18 1.49 -2.27 0.00 0.00 179.45 179.81 3fg0 h GLU 85 N 0.79 0.62 -0.45 1.90 4.81 -0.70 -2.54 114.58 118.99 3fg0 h GLU 85 Ca 0.11 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 3fg0 h GLU 85 Cb 0.74 -0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 3fg0 h GLU 85 CO 0.06 0.51 0.07 0.72 -0.73 0.00 0.00 179.01 179.64 3fg0 n HIS 86 N -4.37 1.45 -0.06 0.92 8.25 -0.45 -4.77 115.22 116.19 3fg0 n HIS 86 Ca 0.03 -1.42 -0.08 0.00 -0.26 0.00 0.00 57.72 56.00 3fg0 n HIS 86 Cb 0.14 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 3fg0 n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3fg0 h ARG 87 N 1.35 0.08 -0.30 -0.41 2.43 -0.80 -0.61 114.38 116.13 3fg0 h ARG 87 Ca 0.23 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3fg0 h ARG 87 Cb 1.84 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.35 3fg0 h ARG 87 CO 0.48 0.06 0.07 0.93 -1.51 0.00 0.00 179.97 180.00 3fg0 h GLU 88 N 0.09 0.48 -0.44 0.20 3.07 -1.86 -0.23 114.58 115.89 3fg0 h GLU 88 Ca 0.12 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3fg0 h GLU 88 Cb 0.15 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3fg0 h GLU 88 CO -0.20 0.56 0.25 0.00 -1.40 0.00 0.00 179.01 178.22 3fg0 h ALA 89 N 0.90 0.56 -0.78 3.43 0.00 -1.85 -2.33 119.26 119.19 3fg0 h ALA 89 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fg0 h ALA 89 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3fg0 h ALA 89 CO 0.00 0.08 0.31 -0.07 0.00 0.00 0.00 179.25 179.57 3fg0 h LEU 90 N 0.58 1.08 -0.42 0.00 3.38 -1.00 -1.44 115.31 117.49 3fg0 h LEU 90 Ca 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fg0 h LEU 90 Cb 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3fg0 h LEU 90 CO -0.03 0.96 0.14 0.00 0.09 0.00 0.00 178.44 179.60 3fg0 h ALA 91 N 1.17 0.55 -0.54 1.53 0.00 -0.90 -0.74 119.26 120.32 3fg0 h ALA 91 Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 91 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 91 CO -0.02 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.44 3fg0 h ARG 92 N 0.54 0.91 -0.66 0.00 3.08 -1.27 -1.09 114.38 115.89 3fg0 h ARG 92 Ca 0.14 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3fg0 h ARG 92 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3fg0 h ARG 92 CO -0.01 0.89 0.20 1.25 -1.07 0.00 0.00 179.97 181.23 3fg0 h LEU 93 N 0.84 0.97 -0.50 3.04 5.85 -1.02 -1.08 115.31 123.41 3fg0 h LEU 93 Ca 0.16 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 3fg0 h LEU 93 Cb 0.47 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3fg0 h LEU 93 CO 0.02 0.92 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.91 3fg0 h GLU 94 N 0.96 0.92 -0.78 1.25 4.57 -0.69 -1.28 114.58 119.53 3fg0 h GLU 94 Ca 0.21 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3fg0 h GLU 94 Cb 0.31 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 3fg0 h GLU 94 CO -0.01 0.97 0.31 1.15 -1.18 0.00 0.00 179.01 180.26 3fg0 h THR 95 N 0.78 1.26 -0.58 0.32 2.02 -1.10 -0.33 112.91 115.28 3fg0 h THR 95 Ca 0.13 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3fg0 h THR 95 Cb 0.59 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3fg0 h THR 95 CO 0.04 0.33 0.29 0.25 0.37 0.00 0.00 175.52 176.80 3fg0 h LEU 96 N 1.12 0.75 0.12 2.58 5.85 -0.92 -0.25 115.31 124.56 3fg0 h LEU 96 Ca 0.26 -0.12 -0.29 0.00 0.84 0.00 0.00 57.88 58.57 3fg0 h LEU 96 Cb 0.21 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.07 3fg0 h LEU 96 CO -0.02 0.66 -1.27 -0.78 -0.34 0.00 0.00 178.44 176.68 3fg0 h ASP 97 N 0.79 0.65 0.00 1.25 3.58 -1.10 -3.39 116.42 118.21 3fg0 h ASP 97 Ca 0.20 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3fg0 h ASP 97 Cb 0.09 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3fg0 h ASP 97 CO -0.03 1.49 -0.57 0.35 -2.88 0.00 0.00 179.24 177.60 3fg0 n THR 98 N -3.67 0.00 0.00 2.25 -2.24 -0.15 -4.51 114.28 105.97 3fg0 n THR 98 Ca -0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3fg0 n THR 98 Cb 1.01 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 3fg0 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg0 n GLY 99 N 1.30 2.88 3.69 3.38 0.00 -0.11 -4.75 105.19 111.58 3fg0 n GLY 99 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3fg0 n GLY 99 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fg0 n LYS 100 N -2.00 0.07 -1.77 1.61 2.85 -1.26 -4.18 118.16 113.49 3fg0 n LYS 100 Ca 0.00 0.10 -0.36 0.00 -1.05 0.00 0.00 58.31 57.00 3fg0 n LYS 100 Cb 0.00 -2.42 0.06 0.00 -0.65 0.00 0.00 35.03 32.02 3fg0 n LYS 100 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3fg0 s THR 101 N -2.21 2.25 0.27 0.58 -4.23 -1.26 -4.53 115.64 106.51 3fg0 s THR 101 Ca 0.72 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 61.35 3fg0 s THR 101 Cb -0.28 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.74 3fg0 s THR 101 CO 0.52 -0.04 1.85 0.25 -0.54 0.00 0.00 174.62 176.67 3fg0 h LEU 102 N 0.50 0.90 -0.87 4.79 5.85 -1.64 -1.38 115.31 123.45 3fg0 h LEU 102 Ca -0.50 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.16 3fg0 h LEU 102 Cb 1.32 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3fg0 h LEU 102 CO 0.53 0.79 0.55 -0.08 -0.34 0.00 0.00 178.44 179.89 3fg0 h GLU 103 N 0.97 0.98 -0.84 1.25 4.81 -1.91 -0.45 114.58 119.39 3fg0 h GLU 103 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3fg0 h GLU 103 Cb 0.16 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3fg0 h GLU 103 CO -0.02 0.65 0.38 0.93 -0.73 0.00 0.00 179.01 180.21 3fg0 h GLU 104 N 1.01 1.22 -0.31 1.92 5.08 -1.69 -1.72 114.58 120.09 3fg0 h GLU 104 Ca 0.37 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 3fg0 h GLU 104 Cb 0.14 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3fg0 h GLU 104 CO -0.16 0.95 -0.41 0.77 -1.00 0.00 0.00 179.01 179.16 3fg0 h SER 105 N 1.20 0.80 -0.73 1.42 0.02 -0.60 -1.04 113.55 114.61 3fg0 h SER 105 Ca 0.28 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3fg0 h SER 105 Cb 0.15 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3fg0 h SER 105 CO -0.03 1.10 0.36 1.88 -1.14 0.00 0.00 176.83 179.01 3fg0 h TYR 106 N 0.61 1.03 -1.01 3.45 0.05 -0.87 -0.95 116.97 119.28 3fg0 h TYR 106 Ca 0.05 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3fg0 h TYR 106 Cb 0.96 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 3fg0 h TYR 106 CO 0.05 0.75 0.67 0.00 -1.05 0.00 0.00 178.16 178.58 3fg0 h ALA 107 N 1.18 1.30 -0.58 3.88 0.00 -1.09 -0.97 119.26 122.97 3fg0 h ALA 107 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3fg0 h ALA 107 Cb 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3fg0 h ALA 107 CO -0.03 0.64 0.26 0.22 0.00 0.00 0.00 179.25 180.34 3fg0 h ASP 108 N 1.35 0.78 -0.01 0.00 3.58 -0.58 -1.56 116.42 119.98 3fg0 h ASP 108 Ca 0.38 -0.15 -0.13 0.00 0.42 0.00 0.00 57.03 57.55 3fg0 h ASP 108 Cb -0.12 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 3fg0 h ASP 108 CO -0.09 0.71 -0.41 0.24 -2.88 0.00 0.00 179.24 176.81 3fg0 h MET 109 N 0.80 0.53 -0.49 0.28 2.86 -0.72 0.36 114.93 118.54 3fg0 h MET 109 Ca 0.20 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3fg0 h MET 109 Cb 0.16 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3fg0 h MET 109 CO -0.02 0.85 0.21 -0.44 1.06 0.00 0.00 176.91 178.56 3fg0 h ASP 110 N 0.43 0.67 -0.58 1.22 3.32 -1.02 -1.67 116.42 118.78 3fg0 h ASP 110 Ca 0.04 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fg0 h ASP 110 Cb 0.90 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3fg0 h ASP 110 CO 0.08 0.65 0.34 0.44 -1.72 0.00 0.00 179.24 179.03 3fg0 h ASP 111 N 0.66 0.71 -0.63 6.45 3.32 -0.91 -2.53 116.42 123.50 3fg0 h ASP 111 Ca 0.17 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3fg0 h ASP 111 Cb 0.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3fg0 h ASP 111 CO -0.02 0.58 0.21 0.40 -1.72 0.00 0.00 179.24 178.69 3fg0 h ILE 112 N 0.79 1.24 -0.48 0.35 2.04 -0.79 0.56 117.51 121.22 3fg0 h ILE 112 Ca 0.21 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.31 3fg0 h ILE 112 Cb 0.01 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3fg0 h ILE 112 CO -0.04 0.32 0.18 -0.74 0.00 0.00 0.00 178.15 177.87 3fg0 h HIS 113 N 0.89 0.31 0.00 1.37 2.76 -1.20 -1.88 115.15 117.41 3fg0 h HIS 113 Ca 0.20 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 3fg0 h HIS 113 Cb 0.28 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3fg0 h HIS 113 CO 0.02 0.11 -0.42 -0.91 -1.30 0.00 0.00 177.93 175.43 3fg0 h ASN 114 N 0.36 0.00 0.18 3.26 2.35 -0.92 -0.76 115.58 120.05 3fg0 h ASN 114 Ca 0.23 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3fg0 h ASN 114 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3fg0 h ASN 114 CO -0.23 0.42 -0.09 0.58 -1.65 0.00 0.00 177.43 176.46 3fg0 h VAL 115 N 0.00 0.93 -0.94 2.81 2.07 -0.44 0.31 116.25 120.99 3fg0 h VAL 115 Ca -0.00 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3fg0 h VAL 115 Cb 0.83 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3fg0 h VAL 115 CO 0.05 0.18 0.61 -0.26 0.02 0.00 0.00 177.57 178.17 3fg0 h PHE 116 N -0.65 1.15 -0.55 1.57 0.04 -1.24 -2.25 116.94 115.01 3fg0 h PHE 116 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3fg0 h PHE 116 Cb 0.47 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3fg0 h PHE 116 CO 0.05 0.67 0.20 0.52 -0.60 0.00 0.00 178.31 179.14 3fg0 h MET 117 N 1.19 0.84 -0.04 1.51 2.86 -1.03 -0.70 114.93 119.57 3fg0 h MET 117 Ca 0.37 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 3fg0 h MET 117 Cb -0.00 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3fg0 h MET 117 CO -0.12 0.74 -0.06 -0.92 1.06 0.00 0.00 176.91 177.62 3fg0 h TYR 118 N 0.76 -0.14 0.00 -0.22 3.20 -0.63 -1.18 116.97 118.75 3fg0 h TYR 118 Ca 0.18 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 3fg0 h TYR 118 Cb 0.24 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3fg0 h TYR 118 CO 0.01 -0.09 -0.66 0.74 -1.64 0.00 0.00 178.16 176.52 3fg0 h PHE 119 N -0.08 0.00 -0.60 -3.82 0.04 -1.33 -1.30 116.94 109.85 3fg0 h PHE 119 Ca 0.04 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3fg0 h PHE 119 Cb 0.14 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3fg0 h PHE 119 CO -0.15 0.66 0.38 0.00 -0.60 0.00 0.00 178.31 178.60 3fg0 h ALA 120 N 1.34 0.77 0.00 2.45 0.00 -0.86 -2.00 119.26 120.96 3fg0 h ALA 120 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3fg0 h ALA 120 Cb 1.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3fg0 h ALA 120 CO 0.09 0.13 -0.36 0.78 0.00 0.00 0.00 179.25 179.89 3fg0 h GLY 121 N 0.75 0.00 1.64 0.00 0.00 -0.59 -3.15 103.07 101.73 3fg0 h GLY 121 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3fg0 h GLY 121 CO -0.08 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 174.15 3fg0 h LEU 122 N 0.00 0.00 -0.83 3.11 5.85 -0.85 -3.40 115.31 119.18 3fg0 h LEU 122 Ca -0.00 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.82 3fg0 h LEU 122 Cb 0.75 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 3fg0 h LEU 122 CO 0.05 0.02 0.40 0.00 -0.34 0.00 0.00 178.44 178.57 3fg0 h ALA 123 N 2.25 1.24 -0.44 1.25 0.00 -1.33 -2.21 119.26 120.02 3fg0 h ALA 123 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 123 Cb 0.88 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3fg0 h ALA 123 CO 0.00 -0.14 0.07 -0.40 0.00 0.00 0.00 179.25 178.78 3fg0 n ASP 124 N -4.92 3.94 -0.55 0.00 5.75 -1.26 -4.62 116.55 114.89 3fg0 n ASP 124 Ca 0.17 -3.24 0.12 0.00 -0.01 0.00 0.00 54.79 51.82 3fg0 n ASP 124 Cb 0.45 -0.63 0.07 0.00 -1.03 0.00 0.00 41.12 39.98 3fg0 n ASP 124 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fg0 n LYS 125 N -0.50 1.38 -3.15 0.11 4.76 -0.83 -4.86 118.16 115.06 3fg0 n LYS 125 Ca 0.30 -1.11 0.03 0.00 -2.87 0.00 0.00 58.31 54.67 3fg0 n LYS 125 Cb 1.09 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.80 3fg0 n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3fg0 s ASP 126 N -2.38 -1.50 0.00 4.39 2.15 -1.26 -5.02 116.67 113.04 3fg0 s ASP 126 Ca 0.21 -0.03 0.23 0.00 0.43 0.00 0.00 52.55 53.40 3fg0 s ASP 126 Cb 0.19 1.93 0.70 0.00 -0.30 0.00 0.00 42.92 45.44 3fg0 s ASP 126 CO 0.51 -0.25 1.53 0.61 -0.17 0.00 0.00 175.17 177.40 3fg0 n GLY 127 N 5.16 0.55 0.00 2.66 0.00 -1.26 -4.89 105.19 107.42 3fg0 n GLY 127 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3fg0 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg0 n GLY 128 N 1.23 0.74 3.14 -0.02 0.00 -1.26 -1.77 105.19 107.26 3fg0 n GLY 128 Ca 0.17 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 3fg0 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fg0 s GLU 129 N -0.93 0.70 -0.10 1.61 -1.05 0.01 -4.98 118.70 113.97 3fg0 s GLU 129 Ca 0.00 -1.01 -0.09 0.00 -0.15 0.00 0.00 54.97 53.72 3fg0 s GLU 129 Cb 0.00 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.92 3fg0 s GLU 129 CO 0.00 -0.18 0.19 -1.64 0.95 0.00 0.00 175.26 174.58 3fg0 s MET 130 N -3.61 3.57 -0.03 -4.83 -1.94 -1.26 -0.34 119.30 110.85 3fg0 s MET 130 Ca 0.04 -0.03 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 3fg0 s MET 130 Cb 0.05 -3.21 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 3fg0 s MET 130 CO -0.09 0.74 -0.12 0.42 -0.01 0.00 0.00 175.02 175.95 3fg0 s ILE 131 N -0.96 3.24 -0.83 2.53 -1.09 -0.06 -4.96 121.20 119.08 3fg0 s ILE 131 Ca 0.16 -0.75 -0.26 0.00 -2.23 0.00 0.00 60.65 57.58 3fg0 s ILE 131 Cb -0.13 -2.32 0.04 0.00 -1.58 0.00 0.00 42.46 38.47 3fg0 s ILE 131 CO 0.06 0.52 1.33 -1.81 -1.23 0.00 0.00 174.94 173.81 3fg0 s ASP 132 N -0.97 6.28 0.29 3.58 1.01 -1.26 -4.16 116.67 121.44 3fg0 s ASP 132 Ca 0.13 -0.80 -0.29 0.00 0.71 0.00 0.00 52.55 52.30 3fg0 s ASP 132 Cb -0.11 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 3fg0 s ASP 132 CO 0.03 -1.72 1.31 -0.55 0.21 0.00 0.00 175.17 174.45 3fg0 s SER 133 N 4.14 6.81 0.00 0.27 0.15 -1.26 -4.92 113.70 118.90 3fg0 s SER 133 Ca 0.38 2.60 0.31 0.00 0.70 0.00 0.00 55.95 59.94 3fg0 s SER 133 Cb -0.06 -2.64 1.67 0.00 -1.71 0.00 0.00 66.02 63.29 3fg0 s SER 133 CO 0.06 -0.53 2.10 -0.81 1.20 0.00 0.00 173.24 175.26 3fg0 n PRO 134 N 1.39 1.17 -3.75 5.44 -0.04 -1.26 -4.74 135.00 133.22 3fg0 n PRO 134 Ca 0.02 -0.25 -0.37 0.00 -0.04 0.00 0.00 63.50 62.86 3fg0 n PRO 134 Cb 0.42 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3fg0 n PRO 134 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg0 s ILE 135 N -2.00 4.76 0.57 0.52 1.01 -1.26 -5.08 121.20 119.72 3fg0 s ILE 135 Ca 0.45 -0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 3fg0 s ILE 135 Cb 0.22 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3fg0 s ILE 135 CO 0.36 0.33 1.23 -2.65 0.00 0.00 0.00 174.94 174.21 3fg0 n PRO 136 N 4.68 1.36 -3.58 2.79 -0.02 -1.26 -3.30 135.00 135.66 3fg0 n PRO 136 Ca -0.16 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.63 3fg0 n PRO 136 Cb 0.52 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 3fg0 n PRO 136 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fg0 n ASP 137 N -1.04 -2.58 -3.96 2.55 8.00 -1.26 -4.96 116.55 113.31 3fg0 n ASP 137 Ca 0.12 -0.69 -0.09 0.00 0.71 0.00 0.00 54.79 54.84 3fg0 n ASP 137 Cb 0.46 -4.66 -0.10 0.00 -0.02 0.00 0.00 41.12 36.79 3fg0 n ASP 137 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fg0 s THR 138 N -3.45 0.12 -0.08 -3.53 -4.23 -1.21 -1.24 115.64 102.02 3fg0 s THR 138 Ca 0.14 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 3fg0 s THR 138 Cb -0.06 -0.53 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 3fg0 s THR 138 CO 0.77 -0.55 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.41 3fg0 s GLU 139 N -1.89 2.81 -0.08 3.99 2.12 0.18 -4.81 118.70 121.01 3fg0 s GLU 139 Ca -0.12 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.45 3fg0 s GLU 139 Cb -0.06 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 31.98 3fg0 s GLU 139 CO -0.02 0.38 -0.13 0.45 -0.54 0.00 0.00 175.26 175.41 3fg0 s SER 140 N -0.13 1.96 0.03 -1.70 0.15 -1.26 -0.81 113.70 111.94 3fg0 s SER 140 Ca -0.03 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.30 3fg0 s SER 140 Cb -0.14 -0.89 -0.02 0.00 -1.71 0.00 0.00 66.02 63.26 3fg0 s SER 140 CO 0.04 0.02 -0.05 -1.59 1.20 0.00 0.00 173.24 172.86 3fg0 s LYS 141 N 0.80 0.41 -0.23 5.44 -2.85 -0.66 -0.88 119.74 121.78 3fg0 s LYS 141 Ca -0.12 -0.69 -0.04 0.00 -1.00 0.00 0.00 55.97 54.12 3fg0 s LYS 141 Cb -0.15 -0.05 -0.01 0.00 -2.06 0.00 0.00 37.83 35.56 3fg0 s LYS 141 CO 0.02 -0.01 -0.03 0.42 0.10 0.00 0.00 175.35 175.85 3fg0 s ILE 142 N -1.52 3.45 -0.15 3.79 -1.09 0.53 -0.44 121.20 125.77 3fg0 s ILE 142 Ca -0.13 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 57.75 3fg0 s ILE 142 Cb -0.09 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 3fg0 s ILE 142 CO -0.01 0.39 0.00 -0.69 -1.23 0.00 0.00 174.94 173.41 3fg0 s VAL 143 N 1.48 4.29 -0.19 2.92 1.01 -0.10 -0.81 120.40 129.01 3fg0 s VAL 143 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 3fg0 s VAL 143 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3fg0 s VAL 143 CO -0.03 0.51 0.45 -0.54 0.00 0.00 0.00 175.10 175.49 3fg0 s LYS 144 N 0.03 4.20 0.31 2.72 -0.14 -0.73 -1.20 119.74 124.93 3fg0 s LYS 144 Ca 0.03 0.30 0.10 0.00 -1.36 0.00 0.00 55.97 55.04 3fg0 s LYS 144 Cb -0.13 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.44 3fg0 s LYS 144 CO 0.02 -0.04 -0.10 -1.21 -0.76 0.00 0.00 175.35 173.26 3fg0 s GLU 145 N 1.30 1.89 0.40 1.68 2.02 -0.13 -4.87 118.70 120.99 3fg0 s GLU 145 Ca 0.22 -1.75 -0.26 0.00 0.02 0.00 0.00 54.97 53.19 3fg0 s GLU 145 Cb -0.15 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 32.14 3fg0 s GLU 145 CO 0.09 0.25 1.35 -1.25 0.02 0.00 0.00 175.26 175.72 3fg0 s PRO 146 N -3.60 3.98 0.47 0.39 0.04 -1.26 -0.30 135.00 134.73 3fg0 s PRO 146 Ca 0.32 2.27 0.17 0.00 0.04 0.00 0.00 61.00 63.80 3fg0 s PRO 146 Cb -0.02 -2.80 1.13 0.00 0.04 0.00 0.00 34.50 32.84 3fg0 s PRO 146 CO 0.17 -0.53 2.04 -0.24 0.04 0.00 0.00 177.00 178.49 3fg0 h VAL 147 N 2.57 1.03 0.00 -0.36 3.04 -1.11 -3.42 116.25 118.01 3fg0 h VAL 147 Ca -0.50 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3fg0 h VAL 147 Cb 1.25 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3fg0 h VAL 147 CO 0.63 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.93 3fg0 n GLY 148 N -1.10 0.42 3.69 3.17 0.00 -1.26 -4.84 105.19 105.27 3fg0 n GLY 148 Ca -0.03 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 3fg0 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg0 s VAL 149 N 0.00 5.13 -0.04 1.61 1.01 -1.26 -2.49 120.40 124.36 3fg0 s VAL 149 Ca 0.00 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.05 3fg0 s VAL 149 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3fg0 s VAL 149 CO 0.00 0.24 -0.20 0.68 0.00 0.00 0.00 175.10 175.82 3fg0 s VAL 150 N 1.18 1.64 -0.02 2.92 -7.23 -0.50 -0.04 120.40 118.36 3fg0 s VAL 150 Ca 0.26 -0.85 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 3fg0 s VAL 150 Cb -0.15 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 3fg0 s VAL 150 CO 0.11 0.47 -0.02 0.42 -0.31 0.00 0.00 175.10 175.76 3fg0 s THR 151 N -0.16 4.02 -0.05 5.32 -4.23 -0.23 -1.45 115.64 118.86 3fg0 s THR 151 Ca -0.00 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3fg0 s THR 151 Cb -0.11 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.00 3fg0 s THR 151 CO 0.02 0.43 0.00 -1.10 -0.54 0.00 0.00 174.62 173.42 3fg0 s GLN 152 N -1.39 0.48 -0.09 3.99 -0.21 0.22 -0.89 119.66 121.78 3fg0 s GLN 152 Ca 0.18 0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.68 3fg0 s GLN 152 Cb -0.11 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.12 3fg0 s GLN 152 CO 0.08 -0.24 -0.13 0.42 -2.12 0.00 0.00 175.29 173.30 3fg0 s ILE 153 N 1.65 1.26 0.27 1.08 1.01 -0.35 -0.78 121.20 125.34 3fg0 s ILE 153 Ca -0.00 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.25 3fg0 s ILE 153 Cb -0.13 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3fg0 s ILE 153 CO -0.03 0.39 -0.18 0.42 0.00 0.00 0.00 174.94 175.53 3fg0 s THR 154 N 0.99 2.35 0.61 2.92 -4.23 -1.07 -1.92 115.64 115.29 3fg0 s THR 154 Ca -0.08 -2.37 0.08 0.00 -1.18 0.00 0.00 61.69 58.15 3fg0 s THR 154 Cb -0.15 -2.29 0.10 0.00 1.34 0.00 0.00 72.50 71.50 3fg0 s THR 154 CO -0.01 -0.41 0.84 -2.16 -0.54 0.00 0.00 174.62 172.34 3fg0 s PRO 155 N -3.54 2.16 0.00 3.99 0.04 -1.20 -2.30 135.00 134.16 3fg0 s PRO 155 Ca 0.29 -1.59 0.26 0.00 0.04 0.00 0.00 61.00 60.01 3fg0 s PRO 155 Cb -0.04 -2.59 0.74 0.00 0.04 0.00 0.00 34.50 32.65 3fg0 s PRO 155 CO 0.14 -1.00 1.56 -2.67 0.04 0.00 0.00 177.00 175.07 3fg0 n TRP 156 N -2.37 0.00 0.03 0.56 4.27 -1.26 -4.00 117.44 114.67 3fg0 n TRP 156 Ca 0.16 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.56 3fg0 n TRP 156 Cb 0.62 -0.12 -0.14 0.00 -1.36 0.00 0.00 31.31 30.30 3fg0 n TRP 156 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3fg0 h ASN 157 N 1.22 0.43 -2.10 -0.67 -0.00 -1.96 -3.39 115.58 109.11 3fg0 h ASN 157 Ca 0.00 -0.89 -0.58 0.00 -0.00 0.00 0.00 56.30 54.83 3fg0 h ASN 157 Cb 0.51 -0.14 -0.40 0.00 -0.00 0.00 0.00 38.32 38.29 3fg0 h ASN 157 CO 0.00 1.55 -0.89 -1.22 -0.00 0.00 0.00 177.43 176.87 3fg0 n TYR 158 N -3.98 1.28 0.09 4.14 4.02 -1.26 -5.02 117.16 116.44 3fg0 n TYR 158 Ca -0.21 -3.81 -0.12 0.00 -0.01 0.00 0.00 57.90 53.75 3fg0 n TYR 158 Cb 0.89 -0.42 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 3fg0 n TYR 158 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3fg0 h PRO 159 N 4.13 -0.46 0.01 -0.72 0.11 -1.77 -0.46 132.00 132.84 3fg0 h PRO 159 Ca 0.13 0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.07 3fg0 h PRO 159 Cb 0.79 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3fg0 h PRO 159 CO 0.61 -0.31 -0.91 1.25 -0.21 0.00 0.00 178.00 178.44 3fg0 h LEU 160 N -0.48 0.27 0.26 2.35 5.85 -1.92 -1.44 115.31 120.21 3fg0 h LEU 160 Ca 0.04 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3fg0 h LEU 160 Cb 0.53 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3fg0 h LEU 160 CO -0.20 1.04 -0.18 0.25 -0.34 0.00 0.00 178.44 179.01 3fg0 h LEU 161 N 0.11 -0.46 -1.54 2.25 5.85 -1.86 0.34 115.31 120.00 3fg0 h LEU 161 Ca -0.05 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3fg0 h LEU 161 Cb 1.55 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3fg0 h LEU 161 CO 0.14 -0.29 -0.16 1.56 -0.34 0.00 0.00 178.44 179.36 3fg0 h GLN 162 N -0.44 0.10 -0.33 1.25 4.20 -1.03 -1.70 115.11 117.15 3fg0 h GLN 162 Ca -0.02 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3fg0 h GLN 162 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3fg0 h GLN 162 CO 0.01 0.26 -0.12 0.00 -0.67 0.00 0.00 178.83 178.31 3fg0 h ALA 163 N 1.75 0.46 -0.61 3.87 0.00 -1.05 -3.22 119.26 120.46 3fg0 h ALA 163 Ca 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3fg0 h ALA 163 Cb 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3fg0 h ALA 163 CO 0.02 0.34 0.26 0.66 0.00 0.00 0.00 179.25 180.53 3fg0 h SER 164 N 0.45 0.80 0.02 0.00 4.64 -0.04 0.75 113.55 120.16 3fg0 h SER 164 Ca 0.08 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3fg0 h SER 164 Cb 0.64 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3fg0 h SER 164 CO 0.04 0.71 -0.01 -0.50 -0.87 0.00 0.00 176.83 176.20 3fg0 h TRP 165 N 0.87 0.00 0.01 4.77 4.06 -1.42 -1.83 115.95 122.41 3fg0 h TRP 165 Ca 0.21 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.75 3fg0 h TRP 165 Cb 0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.24 3fg0 h TRP 165 CO 0.01 0.01 -2.31 1.63 -3.56 0.00 0.00 178.44 174.22 3fg0 n LYS 166 N -4.08 0.62 -0.14 0.49 5.02 -0.86 -4.46 118.16 114.76 3fg0 n LYS 166 Ca -0.03 0.27 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 3fg0 n LYS 166 Cb 0.09 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 3fg0 n LYS 166 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fg0 h ILE 167 N -0.64 1.19 0.03 -0.18 2.04 -0.86 -2.95 117.51 116.14 3fg0 h ILE 167 Ca -0.60 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 64.69 3fg0 h ILE 167 Cb 1.69 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3fg0 h ILE 167 CO -0.26 0.21 -0.05 0.00 0.00 0.00 0.00 178.15 178.04 3fg0 h ALA 168 N 1.02 -0.08 -0.11 1.87 0.00 -1.56 -1.01 119.26 119.39 3fg0 h ALA 168 Ca 0.14 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3fg0 h ALA 168 Cb 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fg0 h ALA 168 CO -0.01 -0.56 -0.50 -1.00 0.00 0.00 0.00 179.25 177.17 3fg0 h PRO 169 N -0.11 0.29 -0.24 0.00 0.13 -1.78 -0.88 132.00 129.40 3fg0 h PRO 169 Ca 0.01 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3fg0 h PRO 169 Cb 0.12 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 3fg0 h PRO 169 CO -0.03 0.73 0.15 0.00 -0.23 0.00 0.00 178.00 178.62 3fg0 h ALA 170 N 1.25 0.31 -0.36 -0.56 0.00 -1.30 -1.30 119.26 117.30 3fg0 h ALA 170 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3fg0 h ALA 170 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3fg0 h ALA 170 CO 0.08 -0.20 -0.35 -0.07 0.00 0.00 0.00 179.25 178.71 3fg0 h LEU 171 N 0.31 0.94 -1.49 0.00 3.38 -1.14 -1.27 115.31 116.04 3fg0 h LEU 171 Ca 0.09 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3fg0 h LEU 171 Cb -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3fg0 h LEU 171 CO -0.02 1.21 0.39 0.00 0.09 0.00 0.00 178.44 180.11 3fg0 h ALA 172 N 0.76 1.72 0.00 1.53 0.00 -0.88 -2.57 119.26 119.82 3fg0 h ALA 172 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fg0 h ALA 172 Cb 0.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3fg0 h ALA 172 CO 0.09 0.21 -0.43 0.25 0.00 0.00 0.00 179.25 179.36 3fg0 n THR 173 N -4.47 0.16 -0.20 0.00 -2.24 -0.51 -4.74 114.28 102.28 3fg0 n THR 173 Ca 0.07 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3fg0 n THR 173 Cb 0.16 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3fg0 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg0 n GLY 174 N 1.43 0.90 3.76 3.38 0.00 -0.97 -3.98 105.19 109.71 3fg0 n GLY 174 Ca 0.05 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3fg0 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s SER 176 N -3.54 5.68 0.08 0.00 0.01 -1.04 -4.64 113.70 110.25 3fg0 s SER 176 Ca 0.62 0.19 0.04 0.00 1.31 0.00 0.00 55.95 58.10 3fg0 s SER 176 Cb -0.17 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 3fg0 s SER 176 CO 0.56 0.31 -0.10 -1.48 0.41 0.00 0.00 173.24 172.94 3fg0 s LEU 177 N -1.47 2.35 -0.16 2.44 0.05 0.38 -1.41 118.68 120.86 3fg0 s LEU 177 Ca 0.20 -0.73 -0.00 0.00 0.05 0.00 0.00 54.13 53.65 3fg0 s LEU 177 Cb -0.12 -0.30 0.04 0.00 -2.05 0.00 0.00 46.19 43.76 3fg0 s LEU 177 CO 0.10 -0.23 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.91 3fg0 s VAL 178 N -2.05 1.26 -0.12 1.48 1.01 -0.53 -1.52 120.40 119.94 3fg0 s VAL 178 Ca 0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3fg0 s VAL 178 Cb -0.05 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3fg0 s VAL 178 CO 0.00 0.23 -0.01 -0.32 0.00 0.00 0.00 175.10 175.00 3fg0 s MET 179 N 1.58 3.29 -0.26 2.72 0.00 0.40 -0.61 119.30 126.43 3fg0 s MET 179 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 55.69 55.25 3fg0 s MET 179 Cb -0.15 -2.86 0.08 0.00 0.00 0.00 0.00 34.83 31.90 3fg0 s MET 179 CO -0.08 0.51 0.06 0.21 0.00 0.00 0.00 175.02 175.71 3fg0 s LYS 180 N -0.35 0.79 1.00 4.11 2.20 0.04 -0.51 119.74 127.03 3fg0 s LYS 180 Ca 0.07 -0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 54.73 3fg0 s LYS 180 Cb -0.12 -2.10 0.19 0.00 -1.51 0.00 0.00 37.83 34.29 3fg0 s LYS 180 CO 0.02 -0.81 1.15 -1.25 -0.36 0.00 0.00 175.35 174.11 3fg0 s PRO 181 N 1.69 0.43 0.31 4.03 0.04 -1.26 -2.58 135.00 137.66 3fg0 s PRO 181 Ca 0.04 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 3fg0 s PRO 181 Cb -0.17 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 3fg0 s PRO 181 CO -0.16 -2.65 1.50 0.45 0.04 0.00 0.00 177.00 176.18 3fg0 n SER 182 N -4.05 3.52 0.30 6.66 2.88 -0.97 -4.72 113.62 117.24 3fg0 n SER 182 Ca 0.09 1.17 0.15 0.00 -1.33 0.00 0.00 58.87 58.95 3fg0 n SER 182 Cb 0.59 -1.56 0.90 0.00 -0.75 0.00 0.00 64.21 63.40 3fg0 n SER 182 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3fg0 h GLU 183 N 3.93 0.00 -0.00 -1.46 9.09 -1.90 -2.07 114.58 122.17 3fg0 h GLU 183 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3fg0 h GLU 183 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3fg0 h GLU 183 CO 0.73 0.01 -0.47 0.44 0.05 0.00 0.00 179.01 179.76 3fg0 n ILE 184 N -3.86 0.00 -3.17 -1.06 -5.35 -1.26 -4.51 119.36 100.15 3fg0 n ILE 184 Ca -0.03 -0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.24 3fg0 n ILE 184 Cb 0.09 0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.16 3fg0 n ILE 184 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fg0 n THR 185 N -1.49 -0.40 1.34 7.28 -2.24 -0.78 -4.61 114.28 113.38 3fg0 n THR 185 Ca 0.06 -4.20 0.13 0.00 -2.27 0.00 0.00 64.05 57.77 3fg0 n THR 185 Cb 0.34 -0.97 0.43 0.00 -2.10 0.00 0.00 70.33 68.03 3fg0 n THR 185 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fg0 n PRO 186 N 0.82 1.23 0.08 -0.78 -0.04 -1.22 -4.53 135.00 130.56 3fg0 n PRO 186 Ca 0.22 -0.74 -0.13 0.00 -0.04 0.00 0.00 63.50 62.82 3fg0 n PRO 186 Cb 0.60 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 3fg0 n PRO 186 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3fg0 h LEU 187 N 1.80 -0.13 -1.23 1.53 3.38 -1.92 -1.02 115.31 117.72 3fg0 h LEU 187 Ca 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3fg0 h LEU 187 Cb 0.52 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3fg0 h LEU 187 CO 0.00 0.05 -0.18 0.71 0.09 0.00 0.00 178.44 179.10 3fg0 h THR 188 N -0.30 0.47 -0.09 0.22 1.35 -1.88 -2.05 112.91 110.63 3fg0 h THR 188 Ca -0.02 -0.98 -0.22 0.00 -0.55 0.00 0.00 66.41 64.64 3fg0 h THR 188 Cb 0.25 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3fg0 h THR 188 CO 0.03 0.18 -0.80 0.74 -0.25 0.00 0.00 175.52 175.42 3fg0 h THR 189 N 0.00 1.31 -0.56 6.82 2.02 -1.78 0.32 112.91 121.03 3fg0 h THR 189 Ca -0.00 -2.04 0.02 0.00 0.77 0.00 0.00 66.41 65.16 3fg0 h THR 189 Cb 0.68 2.19 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 3fg0 h THR 189 CO 0.02 0.63 0.34 0.40 0.37 0.00 0.00 175.52 177.29 3fg0 h ILE 190 N 0.37 1.07 -0.65 3.11 2.04 -1.01 -1.65 117.51 120.78 3fg0 h ILE 190 Ca -0.08 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3fg0 h ILE 190 Cb 1.44 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3fg0 h ILE 190 CO 0.16 0.12 0.25 -0.09 0.00 0.00 0.00 178.15 178.60 3fg0 h ARG 191 N 0.68 0.98 -0.10 2.37 9.65 -1.12 -1.97 114.38 124.88 3fg0 h ARG 191 Ca 0.22 -0.18 -0.08 0.00 -1.10 0.00 0.00 59.98 58.84 3fg0 h ARG 191 Cb 0.01 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 3fg0 h ARG 191 CO -0.09 0.82 -0.31 -0.24 2.80 0.00 0.00 179.97 182.95 3fg0 h VAL 192 N 0.92 1.26 -0.43 0.20 3.04 -0.65 -1.57 116.25 119.02 3fg0 h VAL 192 Ca 0.22 -1.22 -0.08 0.00 -1.01 0.00 0.00 66.70 64.61 3fg0 h VAL 192 Cb 0.22 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 3fg0 h VAL 192 CO -0.02 0.36 -0.06 -0.26 -1.01 0.00 0.00 177.57 176.58 3fg0 h PHE 193 N 0.16 0.80 -0.78 3.17 -1.00 -0.89 0.72 116.94 119.11 3fg0 h PHE 193 Ca 0.02 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 3fg0 h PHE 193 Cb 0.63 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 3fg0 h PHE 193 CO 0.01 0.78 0.43 0.93 -1.61 0.00 0.00 178.31 178.85 3fg0 h GLU 194 N 0.68 1.09 -0.36 1.51 5.08 -0.59 -0.22 114.58 121.78 3fg0 h GLU 194 Ca 0.13 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3fg0 h GLU 194 Cb 0.51 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fg0 h GLU 194 CO 0.03 0.80 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.63 3fg0 h LEU 195 N 1.09 0.74 -0.92 1.33 3.38 -0.85 -2.39 115.31 117.68 3fg0 h LEU 195 Ca 0.28 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3fg0 h LEU 195 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3fg0 h LEU 195 CO -0.05 0.97 0.10 0.24 0.09 0.00 0.00 178.44 179.79 3fg0 h MET 196 N 0.51 0.90 -1.00 1.13 2.86 -0.67 -2.09 114.93 116.56 3fg0 h MET 196 Ca 0.08 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3fg0 h MET 196 Cb 0.67 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 3fg0 h MET 196 CO 0.05 0.82 0.66 1.49 1.06 0.00 0.00 176.91 180.99 3fg0 h GLU 197 N 0.85 1.32 -0.89 1.72 4.81 -0.88 -1.83 114.58 119.67 3fg0 h GLU 197 Ca 0.18 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3fg0 h GLU 197 Cb 0.36 -0.30 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3fg0 h GLU 197 CO 0.01 0.88 0.50 0.93 -0.73 0.00 0.00 179.01 180.59 3fg0 h GLU 198 N 1.36 1.24 -0.43 1.92 5.08 -0.89 -2.76 114.58 120.10 3fg0 h GLU 198 Ca 0.37 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3fg0 h GLU 198 Cb -0.16 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.83 3fg0 h GLU 198 CO -0.08 0.89 0.21 0.28 -1.00 0.00 0.00 179.01 179.31 3fg0 h VAL 199 N 1.25 1.18 0.00 3.13 2.07 -0.71 -3.49 116.25 119.67 3fg0 h VAL 199 Ca 0.32 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fg0 h VAL 199 Cb 0.01 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3fg0 h VAL 199 CO -0.05 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.34 3fg0 n GLY 200 N -0.89 0.90 3.10 2.17 0.00 -0.77 -5.12 105.19 104.57 3fg0 n GLY 200 Ca 0.01 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3fg0 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fg0 s PHE 201 N 0.00 0.85 0.51 1.61 0.08 -1.26 -5.06 117.98 114.71 3fg0 s PHE 201 Ca 0.00 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 3fg0 s PHE 201 Cb 0.00 -0.49 -0.07 0.00 -0.57 0.00 0.00 43.02 41.89 3fg0 s PHE 201 CO 0.00 -0.04 1.18 -2.30 -0.10 0.00 0.00 175.22 173.96 3fg0 n PRO 202 N 1.45 1.49 -1.71 0.24 -0.02 -1.26 -4.86 135.00 130.33 3fg0 n PRO 202 Ca -0.22 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 3fg0 n PRO 202 Cb 0.55 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3fg0 n PRO 202 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3fg0 n LYS 203 N -0.58 2.32 0.00 -0.52 2.85 -1.26 -2.00 118.16 118.97 3fg0 n LYS 203 Ca 0.10 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 58.19 3fg0 n LYS 203 Cb 0.43 -2.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.29 3fg0 n LYS 203 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fg0 n GLY 204 N 1.97 3.21 0.33 2.58 0.00 -1.26 -4.64 105.19 107.38 3fg0 n GLY 204 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 3fg0 n GLY 204 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fg0 h THR 205 N 0.00 1.26 -4.27 2.61 2.02 -1.70 -3.29 112.91 109.56 3fg0 h THR 205 Ca 0.00 -0.97 -0.61 0.00 0.77 0.00 0.00 66.41 65.60 3fg0 h THR 205 Cb 0.00 0.52 -0.30 0.00 -1.74 0.00 0.00 68.15 66.63 3fg0 h THR 205 CO 0.00 0.37 -0.86 0.27 0.37 0.00 0.00 175.52 175.68 3fg0 s ILE 206 N -5.32 1.67 -0.06 3.11 -4.36 -1.26 -0.47 121.20 114.51 3fg0 s ILE 206 Ca -0.12 -0.89 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 3fg0 s ILE 206 Cb 0.15 -1.40 0.02 0.00 1.25 0.00 0.00 42.46 42.47 3fg0 s ILE 206 CO 0.85 0.47 0.15 0.20 0.24 0.00 0.00 174.94 176.85 3fg0 s ASN 207 N -0.33 -0.15 -0.20 4.36 0.01 -0.57 -4.57 114.94 113.49 3fg0 s ASN 207 Ca 0.04 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 3fg0 s ASN 207 Cb -0.10 0.29 0.02 0.00 0.41 0.00 0.00 41.25 41.88 3fg0 s ASN 207 CO 0.00 -0.06 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.16 3fg0 s LEU 208 N 0.16 2.48 -0.11 0.60 2.96 0.11 -0.46 118.68 124.44 3fg0 s LEU 208 Ca -0.01 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 3fg0 s LEU 208 Cb -0.02 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3fg0 s LEU 208 CO -0.00 -0.04 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.36 3fg0 s ILE 209 N 1.29 4.25 -0.13 6.68 -1.09 0.33 -1.51 121.20 131.02 3fg0 s ILE 209 Ca 0.03 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.21 3fg0 s ILE 209 Cb -0.14 -2.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 3fg0 s ILE 209 CO -0.10 0.57 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.23 3fg0 s LEU 210 N -0.53 2.29 0.00 2.97 1.43 -1.26 -4.09 118.68 119.49 3fg0 s LEU 210 Ca 0.09 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3fg0 s LEU 210 Cb -0.12 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3fg0 s LEU 210 CO 0.02 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3fg0 n GLY 211 N 3.88 0.75 3.74 -3.19 0.00 -1.26 0.86 105.19 109.96 3fg0 n GLY 211 Ca -0.19 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3fg0 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 212 N -2.00 3.68 0.30 4.61 0.00 -1.26 -4.34 121.76 122.75 3fg0 s ALA 212 Ca 0.00 1.37 0.03 0.00 0.00 0.00 0.00 51.96 53.36 3fg0 s ALA 212 Cb 0.00 -3.59 0.62 0.00 0.00 0.00 0.00 23.12 20.15 3fg0 s ALA 212 CO 0.00 -0.78 1.83 0.78 0.00 0.00 0.00 175.76 177.59 3fg0 h GLY 213 N 5.51 1.62 2.00 0.00 0.00 -1.96 0.79 103.07 111.03 3fg0 h GLY 213 Ca -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3fg0 h GLY 213 CO 0.82 0.11 0.00 1.48 0.00 0.00 0.00 176.54 178.95 3fg0 h SER 214 N 0.92 0.00 0.00 0.19 4.64 -1.99 0.29 113.55 117.60 3fg0 h SER 214 Ca 0.51 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.44 3fg0 h SER 214 Cb 0.59 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 3fg0 h SER 214 CO -0.28 0.00 -2.28 1.21 -0.87 0.00 0.00 176.83 174.61 3fg0 n GLU 215 N -2.38 0.53 -0.00 4.77 4.07 0.14 -4.75 120.64 123.02 3fg0 n GLU 215 Ca 0.01 0.23 0.10 0.00 -0.06 0.00 0.00 57.16 57.44 3fg0 n GLU 215 Cb 0.18 -1.39 -0.13 0.00 -0.06 0.00 0.00 31.44 30.04 3fg0 n GLU 215 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3fg0 n VAL 216 N -4.15 0.00 0.07 6.31 0.24 -0.43 -4.32 118.33 116.04 3fg0 n VAL 216 Ca -0.46 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 61.57 3fg0 n VAL 216 Cb 0.82 0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 3fg0 n VAL 216 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3fg0 h GLY 217 N 4.65 -0.31 1.80 7.63 0.00 -0.57 -2.57 103.07 113.70 3fg0 h GLY 217 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3fg0 h GLY 217 CO 0.00 -0.18 0.02 -0.55 0.00 0.00 0.00 176.54 175.83 3fg0 h ASP 218 N -0.34 0.24 -0.30 0.19 3.32 -1.82 -1.26 116.42 116.44 3fg0 h ASP 218 Ca 0.05 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3fg0 h ASP 218 Cb 0.40 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3fg0 h ASP 218 CO -0.17 0.27 0.10 0.58 -1.72 0.00 0.00 179.24 178.30 3fg0 h VAL 219 N 0.26 1.20 -0.94 -1.35 2.07 -1.77 0.62 116.25 116.34 3fg0 h VAL 219 Ca 0.06 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3fg0 h VAL 219 Cb 0.15 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3fg0 h VAL 219 CO 0.00 0.21 0.62 0.24 0.02 0.00 0.00 177.57 178.66 3fg0 h MET 220 N 0.33 1.15 0.00 1.57 2.86 -0.89 -2.18 114.93 117.77 3fg0 h MET 220 Ca 0.10 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 3fg0 h MET 220 Cb 0.23 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3fg0 h MET 220 CO -0.00 0.76 -1.41 -1.13 1.06 0.00 0.00 176.91 176.19 3fg0 n SER 221 N -4.44 0.78 -0.36 1.22 3.41 -0.58 -4.54 113.62 109.10 3fg0 n SER 221 Ca 0.12 0.33 0.04 0.00 -0.26 0.00 0.00 58.87 59.11 3fg0 n SER 221 Cb 0.10 0.34 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 3fg0 n SER 221 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg0 n GLY 222 N 1.36 0.76 3.76 5.00 0.00 0.20 -3.38 105.19 112.90 3fg0 n GLY 222 Ca -0.09 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 3fg0 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fg0 s HIS 223 N -0.79 3.62 0.34 1.61 2.46 -0.83 -4.83 115.29 116.87 3fg0 s HIS 223 Ca 0.12 1.72 0.34 0.00 0.47 0.00 0.00 55.06 57.71 3fg0 s HIS 223 Cb 0.07 -3.26 1.61 0.00 -0.13 0.00 0.00 32.58 30.88 3fg0 s HIS 223 CO 0.10 -0.45 2.09 1.57 -2.47 0.00 0.00 174.74 175.58 3fg0 h LYS 224 N 3.86 0.00 -0.01 2.88 2.10 -1.95 -2.70 116.57 120.74 3fg0 h LYS 224 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3fg0 h LYS 224 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3fg0 h LYS 224 CO 0.67 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 178.57 3fg0 n GLU 225 N -3.28 1.33 -3.23 0.07 -0.58 -1.26 -4.84 120.64 108.85 3fg0 n GLU 225 Ca -0.01 -0.49 -0.39 0.00 -0.42 0.00 0.00 57.16 55.86 3fg0 n GLU 225 Cb 0.24 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 3fg0 n GLU 225 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg0 s VAL 226 N -1.99 4.81 -0.07 2.62 1.01 -1.02 -4.55 120.40 121.21 3fg0 s VAL 226 Ca 0.42 1.25 0.17 0.00 0.00 0.00 0.00 61.98 63.82 3fg0 s VAL 226 Cb 0.21 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.41 3fg0 s VAL 226 CO 0.35 0.48 0.28 0.47 0.00 0.00 0.00 175.10 176.67 3fg0 n ASP 227 N 2.24 0.90 -3.73 3.32 8.00 0.94 -4.88 116.55 123.35 3fg0 n ASP 227 Ca -0.08 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 3fg0 n ASP 227 Cb 0.51 1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 42.99 3fg0 n ASP 227 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fg0 s LEU 228 N -4.59 0.33 -0.20 0.64 2.96 -1.09 -3.13 118.68 113.61 3fg0 s LEU 228 Ca -0.07 0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 3fg0 s LEU 228 Cb 0.09 1.08 -0.01 0.00 0.50 0.00 0.00 46.19 47.85 3fg0 s LEU 228 CO 0.72 -0.16 -0.06 0.54 -1.32 0.00 0.00 176.35 176.07 3fg0 s VAL 229 N 0.98 3.34 -0.21 1.68 0.11 -0.68 -1.06 120.40 124.55 3fg0 s VAL 229 Ca -0.07 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 3fg0 s VAL 229 Cb -0.07 -2.49 0.02 0.00 -1.53 0.00 0.00 36.38 32.30 3fg0 s VAL 229 CO -0.07 0.45 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.47 3fg0 s SER 230 N 1.15 3.75 -0.03 3.54 0.15 -0.07 -0.84 113.70 121.35 3fg0 s SER 230 Ca 0.02 -0.67 0.04 0.00 0.70 0.00 0.00 55.95 56.03 3fg0 s SER 230 Cb -0.14 -1.59 -0.00 0.00 -1.71 0.00 0.00 66.02 62.57 3fg0 s SER 230 CO -0.01 -0.04 -0.13 0.12 1.20 0.00 0.00 173.24 174.37 3fg0 s PHE 231 N 1.34 1.33 -0.09 3.44 5.36 0.11 -1.21 117.98 128.25 3fg0 s PHE 231 Ca 0.03 -0.34 0.02 0.00 -0.96 0.00 0.00 56.93 55.68 3fg0 s PHE 231 Cb -0.14 -0.90 0.01 0.00 -0.34 0.00 0.00 43.02 41.64 3fg0 s PHE 231 CO -0.08 -0.11 -0.14 0.99 -1.46 0.00 0.00 175.22 174.41 3fg0 s THR 232 N 0.03 1.37 0.00 0.12 2.01 -0.81 -1.60 115.64 116.75 3fg0 s THR 232 Ca -0.02 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3fg0 s THR 232 Cb -0.09 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.17 3fg0 s THR 232 CO 0.01 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 3fg0 n GLY 233 N 4.00 -0.79 3.95 4.40 0.00 -0.61 -3.23 105.19 112.92 3fg0 n GLY 233 Ca -0.20 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3fg0 n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 234 N 0.00 1.40 0.26 -0.02 0.00 -1.26 -3.63 107.32 104.07 3fg0 s GLY 234 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 3fg0 s GLY 234 CO 0.00 -0.97 1.90 1.19 0.00 0.00 0.00 173.10 175.22 3fg0 h ILE 235 N 0.74 1.25 -0.31 0.90 2.10 -1.92 -1.02 117.51 119.24 3fg0 h ILE 235 Ca -0.49 -0.55 -0.17 0.00 1.08 0.00 0.00 64.86 64.73 3fg0 h ILE 235 Cb 1.23 -0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.95 3fg0 h ILE 235 CO 0.59 0.26 -0.48 -0.33 -1.08 0.00 0.00 178.15 177.12 3fg0 h GLU 236 N 1.23 0.86 -0.47 2.19 4.39 -1.96 -1.22 114.58 119.60 3fg0 h GLU 236 Ca 0.32 -0.50 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 3fg0 h GLU 236 Cb -0.04 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3fg0 h GLU 236 CO -0.06 1.14 -0.09 1.15 -1.16 0.00 0.00 179.01 179.99 3fg0 h THR 237 N 0.68 1.27 -0.74 1.13 2.02 -1.96 -2.45 112.91 112.86 3fg0 h THR 237 Ca 0.03 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.04 3fg0 h THR 237 Cb 1.07 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 3fg0 h THR 237 CO 0.11 0.42 0.46 1.23 0.37 0.00 0.00 175.52 178.11 3fg0 h GLY 238 N 0.75 1.08 1.06 2.16 0.00 -0.98 -0.05 103.07 107.10 3fg0 h GLY 238 Ca 0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3fg0 h GLY 238 CO 0.04 0.28 0.12 0.50 0.00 0.00 0.00 176.54 177.48 3fg0 h LYS 239 N 0.89 1.10 -0.42 4.80 1.57 -1.12 -1.08 116.57 122.31 3fg0 h LYS 239 Ca 0.30 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3fg0 h LYS 239 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3fg0 h LYS 239 CO -0.13 1.00 0.17 1.25 -0.57 0.00 0.00 179.45 181.18 3fg0 h HIS 240 N 1.03 0.63 -0.56 -1.35 2.76 -0.94 -1.42 115.15 115.30 3fg0 h HIS 240 Ca 0.21 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3fg0 h HIS 240 Cb 0.42 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3fg0 h HIS 240 CO 0.03 0.55 0.34 0.82 -1.30 0.00 0.00 177.93 178.37 3fg0 h ILE 241 N 0.53 1.08 -0.69 6.26 2.04 -0.83 -2.09 117.51 123.81 3fg0 h ILE 241 Ca 0.14 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3fg0 h ILE 241 Cb 0.18 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3fg0 h ILE 241 CO -0.01 0.12 0.20 -0.03 0.00 0.00 0.00 178.15 178.43 3fg0 h MET 242 N 0.68 1.09 -0.48 2.37 4.05 -0.91 -0.20 114.93 121.53 3fg0 h MET 242 Ca 0.22 -0.25 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 3fg0 h MET 242 Cb 0.00 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3fg0 h MET 242 CO -0.09 0.95 0.11 0.87 0.23 0.00 0.00 176.91 178.99 3fg0 h LYS 243 N 1.02 0.72 -0.03 0.39 1.57 -1.06 -2.15 116.57 117.04 3fg0 h LYS 243 Ca 0.22 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 3fg0 h LYS 243 Cb 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3fg0 h LYS 243 CO -0.00 0.65 -0.89 -0.97 -0.57 0.00 0.00 179.45 177.67 3fg0 h ASN 244 N 0.70 0.59 0.07 0.86 -1.24 -0.89 -3.01 115.58 112.65 3fg0 h ASN 244 Ca 0.16 -0.44 -0.03 0.00 0.71 0.00 0.00 56.30 56.69 3fg0 h ASN 244 Cb 0.26 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 3fg0 h ASN 244 CO -0.00 1.23 -0.11 0.00 -1.29 0.00 0.00 177.43 177.26 3fg0 h ALA 245 N 0.74 1.72 -0.11 1.57 0.00 -0.83 -2.43 119.26 119.92 3fg0 h ALA 245 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3fg0 h ALA 245 Cb 1.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3fg0 h ALA 245 CO 0.16 0.21 0.09 0.00 0.00 0.00 0.00 179.25 179.71 3fg0 h ALA 246 N 1.81 1.95 -0.16 0.00 0.00 -1.25 -1.47 119.26 120.15 3fg0 h ALA 246 Ca 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 246 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fg0 h ALA 246 CO 0.01 -0.15 0.14 -0.91 0.00 0.00 0.00 179.25 178.35 3fg0 h ASN 247 N 0.00 0.00 0.00 0.00 2.35 -1.55 -2.05 115.58 114.33 3fg0 h ASN 247 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3fg0 h ASN 247 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3fg0 h ASN 247 CO -0.00 0.00 -0.02 0.59 -1.65 0.00 0.00 177.43 176.35 3fg0 n ASN 248 N -4.09 2.03 -3.70 5.81 4.13 -1.08 -5.00 115.26 113.37 3fg0 n ASN 248 Ca 0.01 -2.49 -0.24 0.00 1.68 0.00 0.00 54.58 53.54 3fg0 n ASN 248 Cb 0.26 -0.21 0.05 0.00 -1.54 0.00 0.00 39.78 38.34 3fg0 n ASN 248 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3fg0 n VAL 249 N -0.92 -3.78 -3.17 2.41 0.31 -0.77 -4.94 118.33 107.47 3fg0 n VAL 249 Ca 0.08 -0.27 -0.39 0.00 -0.01 0.00 0.00 64.34 63.75 3fg0 n VAL 249 Cb 0.46 -3.76 -0.05 0.00 -0.91 0.00 0.00 33.84 29.58 3fg0 n VAL 249 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fg0 s THR 250 N -3.45 4.97 0.40 2.52 2.01 -0.58 -5.02 115.64 116.50 3fg0 s THR 250 Ca 0.29 1.27 -0.26 0.00 0.31 0.00 0.00 61.69 63.31 3fg0 s THR 250 Cb -0.14 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 3fg0 s THR 250 CO 0.79 0.36 1.24 0.59 -0.69 0.00 0.00 174.62 176.91 3fg0 n ASN 251 N 3.11 2.41 -4.18 3.53 3.02 -1.18 -4.69 115.26 117.28 3fg0 n ASN 251 Ca -0.05 1.12 -0.23 0.00 -0.03 0.00 0.00 54.58 55.39 3fg0 n ASN 251 Cb 0.51 -1.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.06 3fg0 n ASN 251 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3fg0 s ILE 252 N -1.19 1.33 -0.13 2.41 -0.00 -1.26 -1.69 121.20 120.68 3fg0 s ILE 252 Ca 0.60 -0.96 0.01 0.00 -0.00 0.00 0.00 60.65 60.30 3fg0 s ILE 252 Cb -0.53 -1.16 0.02 0.00 -0.00 0.00 0.00 42.46 40.79 3fg0 s ILE 252 CO 0.59 0.18 -0.13 0.00 -0.00 0.00 0.00 174.94 175.57 3fg0 s ALA 253 N -0.68 1.69 -0.01 2.27 0.00 -0.02 -4.76 121.76 120.24 3fg0 s ALA 253 Ca 0.05 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3fg0 s ALA 253 Cb -0.08 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3fg0 s ALA 253 CO 0.01 -0.29 -0.12 -0.51 0.00 0.00 0.00 175.76 174.85 3fg0 s LEU 254 N 1.36 2.01 -0.09 0.00 1.43 -0.00 -0.71 118.68 122.67 3fg0 s LEU 254 Ca 0.01 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3fg0 s LEU 254 Cb -0.13 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.47 3fg0 s LEU 254 CO -0.07 0.15 -0.01 -0.70 0.23 0.00 0.00 176.35 175.95 3fg0 s GLU 255 N -0.25 0.79 -0.14 1.70 -6.30 -0.63 -1.16 118.70 112.70 3fg0 s GLU 255 Ca 0.04 -0.00 0.16 0.00 -2.50 0.00 0.00 54.97 52.67 3fg0 s GLU 255 Cb -0.05 -1.17 0.42 0.00 0.00 0.00 0.00 34.13 33.32 3fg0 s GLU 255 CO -0.00 -0.32 1.20 1.28 0.02 0.00 0.00 175.26 177.44 3fg0 n LEU 256 N 5.10 2.17 0.00 2.70 4.77 0.21 -1.57 117.00 130.38 3fg0 n LEU 256 Ca -0.08 -3.30 0.00 0.00 -0.03 0.00 0.00 56.01 52.60 3fg0 n LEU 256 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3fg0 n LEU 256 CO 0.12 1.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 3fg0 n GLY 257 N -0.62 -1.79 3.87 -0.72 0.00 -1.24 -3.86 105.19 100.83 3fg0 n GLY 257 Ca 0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 3fg0 n GLY 257 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 258 N -0.40 -0.05 -0.57 -0.02 0.00 -1.22 -4.51 107.32 100.56 3fg0 s GLY 258 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.70 3fg0 s GLY 258 CO 0.00 2.98 0.40 1.25 0.00 0.00 0.00 173.10 177.73 3fg0 s LYS 259 N -2.24 1.81 -0.21 2.90 2.47 -1.26 -4.72 119.74 118.49 3fg0 s LYS 259 Ca 0.23 -2.74 -0.22 0.00 -1.56 0.00 0.00 55.97 51.68 3fg0 s LYS 259 Cb -0.01 -2.68 -0.02 0.00 -1.46 0.00 0.00 37.83 33.66 3fg0 s LYS 259 CO 0.02 -1.28 0.69 -0.80 0.16 0.00 0.00 175.35 174.14 3fg0 s ASN 260 N -0.67 6.73 0.28 1.43 0.01 -1.25 -4.89 114.94 116.58 3fg0 s ASN 260 Ca 0.25 0.89 -0.22 0.00 -0.71 0.00 0.00 52.86 53.08 3fg0 s ASN 260 Cb -0.07 -2.38 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 3fg0 s ASN 260 CO -0.14 -0.35 0.82 -2.16 -1.51 0.00 0.00 177.10 173.76 3fg0 s PRO 261 N 2.22 4.34 -0.30 -0.60 0.04 -1.24 -2.91 135.00 136.55 3fg0 s PRO 261 Ca 0.31 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.40 3fg0 s PRO 261 Cb -0.16 -2.75 0.09 0.00 0.04 0.00 0.00 34.50 31.72 3fg0 s PRO 261 CO 0.10 0.30 0.03 1.21 0.04 0.00 0.00 177.00 178.68 3fg0 s ASN 262 N -1.74 4.30 -0.32 6.66 3.84 -0.22 -0.80 114.94 126.67 3fg0 s ASN 262 Ca 0.48 -1.73 -0.12 0.00 0.21 0.00 0.00 52.86 51.70 3fg0 s ASN 262 Cb -0.16 -1.28 -0.02 0.00 -0.55 0.00 0.00 41.25 39.23 3fg0 s ASN 262 CO 0.21 -0.35 0.22 -0.63 -2.79 0.00 0.00 177.10 173.76 3fg0 s ILE 263 N 1.25 5.21 -0.29 -5.21 1.01 -0.16 -0.84 121.20 122.17 3fg0 s ILE 263 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3fg0 s ILE 263 Cb -0.18 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.71 3fg0 s ILE 263 CO -0.13 0.07 -0.02 -0.63 0.00 0.00 0.00 174.94 174.23 3fg0 s ILE 264 N 1.72 2.89 0.61 2.92 1.01 0.64 0.13 121.20 131.11 3fg0 s ILE 264 Ca 0.06 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.27 3fg0 s ILE 264 Cb -0.17 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 3fg0 s ILE 264 CO 0.10 -0.05 0.98 -0.36 0.00 0.00 0.00 174.94 175.62 3fg0 s PHE 265 N 1.25 3.51 0.50 3.97 0.08 -0.63 -1.32 117.98 125.34 3fg0 s PHE 265 Ca -0.05 1.07 0.16 0.00 0.12 0.00 0.00 56.93 58.23 3fg0 s PHE 265 Cb -0.19 -2.72 1.20 0.00 -0.57 0.00 0.00 43.02 40.74 3fg0 s PHE 265 CO -0.02 -0.74 2.10 0.22 -0.10 0.00 0.00 175.22 176.68 3fg0 h ASP 266 N -0.28 0.10 -0.53 1.36 1.82 -1.88 -2.12 116.42 114.89 3fg0 h ASP 266 Ca -0.45 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3fg0 h ASP 266 Cb 1.21 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.20 3fg0 h ASP 266 CO 0.62 0.07 0.00 -0.90 -1.61 0.00 0.00 179.24 177.42 3fg0 n ASP 267 N -4.50 4.85 -4.77 2.28 5.75 -1.26 -4.92 116.55 113.98 3fg0 n ASP 267 Ca 0.01 -2.66 -0.33 0.00 -0.01 0.00 0.00 54.79 51.79 3fg0 n ASP 267 Cb 0.17 -0.62 0.05 0.00 -1.03 0.00 0.00 41.12 39.69 3fg0 n ASP 267 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg0 s ALA 268 N -2.28 2.45 -0.28 2.12 0.00 -0.80 -1.45 121.76 121.52 3fg0 s ALA 268 Ca 0.47 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 3fg0 s ALA 268 Cb 0.34 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3fg0 s ALA 268 CO 0.17 -1.31 1.97 0.34 0.00 0.00 0.00 175.76 176.93 3fg0 s ASP 269 N -2.60 5.72 0.09 0.00 -1.08 -1.26 -4.82 116.67 112.72 3fg0 s ASP 269 Ca 0.67 1.56 -0.23 0.00 -0.52 0.00 0.00 52.55 54.03 3fg0 s ASP 269 Cb -0.21 -2.52 -0.15 0.00 -1.46 0.00 0.00 42.92 38.59 3fg0 s ASP 269 CO 0.42 -1.80 1.73 0.15 0.52 0.00 0.00 175.17 176.19 3fg0 h PHE 270 N 13.75 0.01 0.00 -5.34 3.57 -1.92 -1.28 116.94 125.73 3fg0 h PHE 270 Ca -0.37 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.08 3fg0 h PHE 270 Cb 1.20 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 3fg0 h PHE 270 CO 0.95 0.01 -0.27 0.93 -2.23 0.00 0.00 178.31 177.71 3fg0 h GLU 271 N 0.00 0.00 -0.35 1.11 4.39 -1.99 -1.19 114.58 116.55 3fg0 h GLU 271 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3fg0 h GLU 271 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3fg0 h GLU 271 CO -0.00 0.27 0.02 1.25 -1.16 0.00 0.00 179.01 179.38 3fg0 h LEU 272 N 0.00 0.59 -0.91 1.33 5.85 -1.90 -1.67 115.31 118.59 3fg0 h LEU 272 Ca -0.00 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 3fg0 h LEU 272 Cb 0.86 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3fg0 h LEU 272 CO 0.03 0.74 0.08 0.00 -0.34 0.00 0.00 178.44 178.95 3fg0 h ALA 273 N 0.87 1.10 -0.19 1.25 0.00 -0.82 0.11 119.26 121.58 3fg0 h ALA 273 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3fg0 h ALA 273 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fg0 h ALA 273 CO 0.01 0.58 -0.02 0.28 0.00 0.00 0.00 179.25 180.10 3fg0 h VAL 274 N 0.84 1.27 -0.20 0.00 2.07 -1.20 0.27 116.25 119.30 3fg0 h VAL 274 Ca 0.17 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3fg0 h VAL 274 Cb 0.38 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3fg0 h VAL 274 CO 0.01 0.29 -0.01 -0.78 0.02 0.00 0.00 177.57 177.10 3fg0 h ASP 275 N 0.09 -0.10 1.44 0.57 3.58 -1.09 -2.29 116.42 118.63 3fg0 h ASP 275 Ca 0.05 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 3fg0 h ASP 275 Cb 0.44 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 3fg0 h ASP 275 CO 0.01 -0.02 -0.14 1.56 -2.88 0.00 0.00 179.24 177.77 3fg0 h GLN 276 N 0.05 0.00 -0.43 0.28 1.08 -0.72 -1.68 115.11 113.69 3fg0 h GLN 276 Ca 0.10 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 3fg0 h GLN 276 Cb 0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3fg0 h GLN 276 CO -0.17 0.14 -0.21 0.00 -0.95 0.00 0.00 178.83 177.64 3fg0 h ALA 277 N 1.86 0.61 0.02 3.87 0.00 -0.64 0.27 119.26 125.25 3fg0 h ALA 277 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fg0 h ALA 277 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fg0 h ALA 277 CO 0.02 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 3fg0 h LEU 278 N 0.73 -0.02 -0.70 0.00 3.38 -1.21 -0.60 115.31 116.90 3fg0 h LEU 278 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fg0 h LEU 278 Cb 0.78 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3fg0 h LEU 278 CO 0.06 0.09 0.43 0.78 0.09 0.00 0.00 178.44 179.90 3fg0 h ASN 279 N -0.13 0.83 -0.72 -0.43 2.35 -1.18 -0.17 115.58 116.12 3fg0 h ASN 279 Ca -0.00 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3fg0 h ASN 279 Cb 0.12 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3fg0 h ASN 279 CO 0.00 0.63 0.23 1.23 -1.65 0.00 0.00 177.43 177.88 3fg0 h GLY 280 N 0.95 1.21 1.54 2.83 0.00 -0.37 -2.81 103.07 106.42 3fg0 h GLY 280 Ca 0.25 -0.71 -0.27 0.00 0.00 0.00 0.00 47.33 46.60 3fg0 h GLY 280 CO -0.05 0.66 -1.32 -1.33 0.00 0.00 0.00 176.54 174.51 3fg0 h GLY 281 N 1.11 0.22 0.00 4.60 0.00 -0.77 0.10 103.07 108.34 3fg0 h GLY 281 Ca 0.24 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3fg0 h GLY 281 CO -0.01 0.50 0.00 -1.72 0.00 0.00 0.00 176.54 175.31 3fg0 n TYR 282 N -3.44 0.00 -1.68 5.60 4.01 -0.10 -3.56 117.16 117.98 3fg0 n TYR 282 Ca -0.10 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.20 3fg0 n TYR 282 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.03 3fg0 n TYR 282 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fg0 n PHE 283 N -0.74 2.19 -3.70 -0.72 3.72 -1.06 -1.31 117.46 115.85 3fg0 n PHE 283 Ca 0.00 0.47 -0.28 0.00 -0.05 0.00 0.00 57.45 57.59 3fg0 n PHE 283 Cb 0.00 -2.44 0.01 0.00 -0.94 0.00 0.00 39.48 36.10 3fg0 n PHE 283 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3fg0 n HIS 284 N 1.35 -1.98 -3.38 1.38 -0.00 -1.26 -1.08 115.22 110.26 3fg0 n HIS 284 Ca 0.09 0.69 -0.24 0.00 0.46 0.00 0.00 57.72 58.72 3fg0 n HIS 284 Cb 0.33 -3.41 0.01 0.00 -0.12 0.00 0.00 29.99 26.80 3fg0 n HIS 284 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fg0 n ALA 285 N -4.10 -1.08 -1.06 1.57 0.00 -0.43 -1.28 120.51 114.14 3fg0 n ALA 285 Ca 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 3fg0 n ALA 285 Cb 0.53 -3.43 -0.01 0.00 0.00 0.00 0.00 19.45 16.54 3fg0 n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg0 n GLY 286 N -1.37 0.47 2.57 0.00 0.00 -0.24 -0.89 105.19 105.73 3fg0 n GLY 286 Ca -0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3fg0 n GLY 286 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fg0 n GLN 287 N -1.66 2.79 -4.78 1.61 6.02 -0.40 -3.65 117.38 117.31 3fg0 n GLN 287 Ca -0.02 -2.74 -0.25 0.00 -0.01 0.00 0.00 57.00 53.99 3fg0 n GLN 287 Cb 0.23 -2.23 -0.16 0.00 1.02 0.00 0.00 30.24 29.11 3fg0 n GLN 287 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fg0 s VAL 288 N -2.67 1.32 0.32 5.09 0.11 -1.26 -4.83 120.40 118.48 3fg0 s VAL 288 Ca 0.57 -0.69 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3fg0 s VAL 288 Cb 0.37 -1.11 0.31 0.00 -1.53 0.00 0.00 36.38 34.42 3fg0 s VAL 288 CO -0.24 0.38 1.80 0.00 -3.33 0.00 0.00 175.10 173.70 3fg0 n SER 290 N -4.70 5.46 -4.64 0.00 3.41 -1.26 -3.39 113.62 108.50 3fg0 n SER 290 Ca 0.22 -2.79 -0.43 0.00 -0.26 0.00 0.00 58.87 55.61 3fg0 n SER 290 Cb 0.57 -0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3fg0 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg0 n ALA 291 N 0.78 0.50 -2.48 7.33 0.00 -0.26 -4.86 120.51 121.51 3fg0 n ALA 291 Ca 0.27 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.65 3fg0 n ALA 291 Cb 1.11 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3fg0 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg0 n GLY 292 N 1.01 4.00 0.21 0.00 0.00 0.02 -3.97 105.19 106.46 3fg0 n GLY 292 Ca 0.07 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.29 3fg0 n GLY 292 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fg0 h SER 293 N 6.45 0.00 -3.64 1.61 4.64 -1.80 -3.35 113.55 117.46 3fg0 h SER 293 Ca 0.40 -0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 61.03 3fg0 h SER 293 Cb 0.74 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.47 3fg0 h SER 293 CO 1.52 0.00 -0.56 -0.60 -0.87 0.00 0.00 176.83 176.32 3fg0 s ARG 294 N -3.22 1.99 -0.10 4.77 3.52 -1.15 -0.62 118.95 124.14 3fg0 s ARG 294 Ca 0.06 -1.96 -0.19 0.00 -0.13 0.00 0.00 55.73 53.51 3fg0 s ARG 294 Cb 0.05 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3fg0 s ARG 294 CO 0.68 -1.07 0.53 0.42 -0.81 0.00 0.00 175.30 175.05 3fg0 s ILE 295 N 0.88 5.14 -0.21 4.11 1.01 -0.01 -1.05 121.20 131.07 3fg0 s ILE 295 Ca 0.10 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.83 3fg0 s ILE 295 Cb -0.22 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3fg0 s ILE 295 CO -0.05 0.32 -0.15 -0.76 0.00 0.00 0.00 174.94 174.30 3fg0 s LEU 296 N 0.60 2.66 -0.03 2.97 1.43 -0.02 -1.03 118.68 125.26 3fg0 s LEU 296 Ca 0.29 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 3fg0 s LEU 296 Cb -0.16 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3fg0 s LEU 296 CO 0.12 -0.07 -0.19 0.54 0.23 0.00 0.00 176.35 176.98 3fg0 s VAL 297 N 1.24 1.51 0.33 -1.59 0.11 -0.10 -0.26 120.40 121.64 3fg0 s VAL 297 Ca 0.00 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 3fg0 s VAL 297 Cb -0.15 -1.27 -0.11 0.00 -1.53 0.00 0.00 36.38 33.32 3fg0 s VAL 297 CO -0.09 0.43 1.51 -1.58 -3.33 0.00 0.00 175.10 172.04 3fg0 s GLN 298 N -0.28 4.14 0.29 1.54 0.74 -0.43 -2.23 119.66 123.43 3fg0 s GLN 298 Ca 0.03 2.53 0.03 0.00 0.05 0.00 0.00 55.36 58.00 3fg0 s GLN 298 Cb -0.09 -3.01 0.62 0.00 1.10 0.00 0.00 33.01 31.63 3fg0 s GLN 298 CO 0.00 -0.54 1.80 -0.91 -0.55 0.00 0.00 175.29 175.10 3fg0 h ASN 299 N 3.93 0.82 0.19 6.67 -0.26 -1.30 -1.08 115.58 124.56 3fg0 h ASN 299 Ca -0.49 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.31 3fg0 h ASN 299 Cb 1.23 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.41 3fg0 h ASN 299 CO 0.71 0.37 -0.05 0.77 -1.06 0.00 0.00 177.43 178.18 3fg0 h SER 300 N 0.86 0.00 -0.07 5.81 4.64 -1.90 -2.73 113.55 120.16 3fg0 h SER 300 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3fg0 h SER 300 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3fg0 h SER 300 CO -0.32 0.05 0.00 2.30 -0.87 0.00 0.00 176.83 177.98 3fg0 n ILE 301 N -3.60 0.57 -0.09 0.95 -5.35 -0.49 -4.82 119.36 106.53 3fg0 n ILE 301 Ca -0.02 -0.79 -0.07 0.00 -0.27 0.00 0.00 62.75 61.60 3fg0 n ILE 301 Cb 0.15 0.75 0.01 0.00 -1.74 0.00 0.00 39.64 38.81 3fg0 n ILE 301 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3fg0 h LYS 302 N 0.76 0.21 -0.25 6.28 3.64 -1.00 0.14 116.57 126.35 3fg0 h LYS 302 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3fg0 h LYS 302 Cb 0.41 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3fg0 h LYS 302 CO 0.00 0.14 0.11 -0.44 -2.27 0.00 0.00 179.45 176.99 3fg0 h ASP 303 N 0.21 0.33 -0.73 4.20 3.32 -1.88 0.12 116.42 122.01 3fg0 h ASP 303 Ca 0.15 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3fg0 h ASP 303 Cb 0.15 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3fg0 h ASP 303 CO -0.18 0.38 0.43 0.50 -1.72 0.00 0.00 179.24 178.65 3fg0 h LYS 304 N 0.26 1.00 -0.29 3.56 3.64 -1.85 -2.05 116.57 120.84 3fg0 h LYS 304 Ca 0.08 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3fg0 h LYS 304 Cb 0.15 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3fg0 h LYS 304 CO -0.01 0.71 0.04 0.35 -2.27 0.00 0.00 179.45 178.27 3fg0 h PHE 305 N 1.00 0.52 -0.43 1.91 3.57 -0.34 -1.58 116.94 121.58 3fg0 h PHE 305 Ca 0.26 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3fg0 h PHE 305 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3fg0 h PHE 305 CO -0.01 0.59 0.21 0.93 -2.23 0.00 0.00 178.31 177.80 3fg0 h GLU 306 N 0.30 0.62 -0.68 1.11 5.08 -0.83 0.31 114.58 120.48 3fg0 h GLU 306 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fg0 h GLU 306 Cb 0.36 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3fg0 h GLU 306 CO 0.01 0.53 0.43 0.37 -1.00 0.00 0.00 179.01 179.35 3fg0 h GLN 307 N 0.55 0.91 -0.33 2.33 4.15 -1.27 -0.05 115.11 121.40 3fg0 h GLN 307 Ca 0.15 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 3fg0 h GLN 307 Cb 0.12 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3fg0 h GLN 307 CO -0.02 0.62 -0.17 0.00 -1.93 0.00 0.00 178.83 177.33 3fg0 h ALA 308 N 1.23 0.46 0.37 3.38 0.00 -0.97 -1.70 119.26 122.03 3fg0 h ALA 308 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3fg0 h ALA 308 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fg0 h ALA 308 CO -0.05 0.38 -0.18 1.25 0.00 0.00 0.00 179.25 180.66 3fg0 h LEU 309 N 0.46 -0.42 -0.69 0.00 5.85 -0.72 -2.42 115.31 117.37 3fg0 h LEU 309 Ca 0.07 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3fg0 h LEU 309 Cb 0.71 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 3fg0 h LEU 309 CO 0.05 -0.29 0.36 0.40 -0.34 0.00 0.00 178.44 178.62 3fg0 h ILE 310 N -0.50 0.91 -0.95 4.05 2.04 -1.03 -0.50 117.51 121.54 3fg0 h ILE 310 Ca -0.05 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3fg0 h ILE 310 Cb 0.38 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3fg0 h ILE 310 CO 0.08 0.12 0.62 -0.78 0.00 0.00 0.00 178.15 178.19 3fg0 h ASP 311 N 0.65 1.05 -0.26 1.72 3.58 -1.22 -2.41 116.42 119.53 3fg0 h ASP 311 Ca 0.32 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.59 3fg0 h ASP 311 Cb 0.27 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3fg0 h ASP 311 CO -0.22 0.73 -0.49 0.03 -2.88 0.00 0.00 179.24 176.41 3fg0 h ARG 312 N 1.22 0.80 -0.77 0.28 2.47 -0.87 -3.16 114.38 114.35 3fg0 h ARG 312 Ca 0.37 -0.50 0.08 0.00 -1.26 0.00 0.00 59.98 58.66 3fg0 h ARG 312 Cb -0.05 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 3fg0 h ARG 312 CO -0.11 1.13 0.50 0.28 0.56 0.00 0.00 179.97 182.34 3fg0 h VAL 313 N 0.55 1.00 0.00 2.04 2.07 -0.77 0.61 116.25 121.75 3fg0 h VAL 313 Ca 0.01 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3fg0 h VAL 313 Cb 1.09 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3fg0 h VAL 313 CO 0.11 0.14 -0.00 0.11 0.02 0.00 0.00 177.57 177.95 3fg0 h LYS 314 N 0.77 0.00 -0.02 1.57 1.57 -1.40 -2.63 116.57 116.43 3fg0 h LYS 314 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3fg0 h LYS 314 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3fg0 h LYS 314 CO -0.12 0.00 -0.33 1.63 -0.57 0.00 0.00 179.45 180.06 3fg0 n LYS 315 N -3.76 1.29 -1.83 3.15 5.02 0.20 -4.96 118.16 117.27 3fg0 n LYS 315 Ca -0.03 -0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 54.85 3fg0 n LYS 315 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3fg0 n LYS 315 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fg0 s ILE 316 N -2.39 2.29 -0.38 -0.18 1.01 -1.00 -4.95 121.20 115.60 3fg0 s ILE 316 Ca 0.22 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 3fg0 s ILE 316 Cb 0.19 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3fg0 s ILE 316 CO 0.51 0.02 0.51 -0.54 0.00 0.00 0.00 174.94 175.44 3fg0 s LYS 317 N 0.77 3.46 0.13 2.79 -0.14 -1.26 -5.00 119.74 120.49 3fg0 s LYS 317 Ca 0.70 -0.33 -0.09 0.00 -1.36 0.00 0.00 55.97 54.89 3fg0 s LYS 317 Cb -0.47 -3.86 -0.06 0.00 -1.68 0.00 0.00 37.83 31.76 3fg0 s LYS 317 CO 0.35 -0.73 0.44 -0.51 -0.76 0.00 0.00 175.35 174.14 3fg0 s LEU 318 N 2.38 4.29 0.00 3.17 1.02 -1.26 -0.76 118.68 127.52 3fg0 s LEU 318 Ca 0.17 0.79 0.00 0.00 0.02 0.00 0.00 54.13 55.11 3fg0 s LEU 318 Cb -0.16 -3.24 0.00 0.00 0.02 0.00 0.00 46.19 42.81 3fg0 s LEU 318 CO 0.14 0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.20 3fg0 n GLY 319 N 0.45 -1.13 3.72 -3.19 0.00 -1.03 -4.90 105.19 99.12 3fg0 n GLY 319 Ca -0.04 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3fg0 n GLY 319 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg0 s ASN 320 N -4.00 6.60 0.59 1.61 3.84 -1.26 -4.37 114.94 117.96 3fg0 s ASN 320 Ca 0.00 2.62 0.33 0.00 0.21 0.00 0.00 52.86 56.02 3fg0 s ASN 320 Cb 0.00 -2.60 1.85 0.00 -0.55 0.00 0.00 41.25 39.95 3fg0 s ASN 320 CO 0.00 -0.80 2.22 1.23 -2.79 0.00 0.00 177.10 176.96 3fg0 h GLY 321 N 6.51 0.00 2.00 1.21 0.00 -1.82 -0.81 103.07 110.16 3fg0 h GLY 321 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3fg0 h GLY 321 CO 0.89 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.12 3fg0 n PHE 322 N -3.55 0.02 -3.20 5.60 3.72 -1.26 -1.53 117.46 117.26 3fg0 n PHE 322 Ca -0.02 0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 3fg0 n PHE 322 Cb 0.14 -0.51 -0.07 0.00 -0.94 0.00 0.00 39.48 38.10 3fg0 n PHE 322 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fg0 s ASP 323 N -3.04 6.57 0.63 4.37 -1.08 -0.31 -4.94 116.67 118.87 3fg0 s ASP 323 Ca 0.14 0.68 0.35 0.00 -0.52 0.00 0.00 52.55 53.20 3fg0 s ASP 323 Cb 0.18 -2.31 1.95 0.00 -1.46 0.00 0.00 42.92 41.28 3fg0 s ASP 323 CO 0.52 -0.24 2.19 0.00 0.52 0.00 0.00 175.17 178.16 3fg0 h ALA 324 N 7.62 1.41 0.00 3.66 0.00 -1.85 -0.84 119.26 129.26 3fg0 h ALA 324 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fg0 h ALA 324 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3fg0 h ALA 324 CO 0.75 -0.15 -0.01 -0.25 0.00 0.00 0.00 179.25 179.58 3fg0 n ASP 325 N -3.42 0.80 -4.71 0.00 8.00 -1.26 -4.84 116.55 111.12 3fg0 n ASP 325 Ca -0.01 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.63 3fg0 n ASP 325 Cb 0.21 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 3fg0 n ASP 325 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fg0 s THR 326 N -3.10 3.02 -0.16 -3.53 2.01 -0.32 -4.85 115.64 108.71 3fg0 s THR 326 Ca 0.11 0.68 0.16 0.00 0.31 0.00 0.00 61.69 62.95 3fg0 s THR 326 Cb 0.12 -3.44 -0.23 0.00 0.01 0.00 0.00 72.50 68.97 3fg0 s THR 326 CO 0.60 0.04 0.11 -0.62 -0.69 0.00 0.00 174.62 174.06 3fg0 n GLU 327 N 4.32 1.01 -3.72 4.92 1.02 0.06 -4.96 120.64 123.29 3fg0 n GLU 327 Ca 0.13 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 3fg0 n GLU 327 Cb 0.41 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 3fg0 n GLU 327 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3fg0 s MET 328 N -2.56 0.05 0.07 3.49 1.75 -0.69 -4.86 119.30 116.55 3fg0 s MET 328 Ca -0.09 0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.76 3fg0 s MET 328 Cb 0.06 -0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.52 3fg0 s MET 328 CO 0.74 -0.22 0.09 0.41 -0.65 0.00 0.00 175.02 175.40 3fg0 n GLY 329 N 4.60 -0.02 3.81 2.11 0.00 -1.26 -2.45 105.19 111.97 3fg0 n GLY 329 Ca -0.19 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 3fg0 n GLY 329 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fg0 s PRO 330 N -2.86 1.14 0.75 1.61 0.04 -1.26 -4.69 135.00 129.72 3fg0 s PRO 330 Ca 0.06 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 3fg0 s PRO 330 Cb -0.00 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.78 3fg0 s PRO 330 CO 0.04 -2.18 1.06 0.14 0.04 0.00 0.00 177.00 176.10 3fg0 s VAL 331 N -3.38 2.21 0.18 -0.36 -7.23 0.10 -4.79 120.40 107.14 3fg0 s VAL 331 Ca 0.65 -0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.63 3fg0 s VAL 331 Cb -0.13 -2.94 -0.14 0.00 0.56 0.00 0.00 36.38 33.74 3fg0 s VAL 331 CO 0.53 0.00 1.41 -0.29 -0.31 0.00 0.00 175.10 176.43 3fg0 h ILE 332 N -0.75 1.61 -3.04 -0.62 6.09 -1.85 -3.43 117.51 115.52 3fg0 h ILE 332 Ca -0.43 -2.93 0.00 0.00 -1.37 0.00 0.00 64.86 60.13 3fg0 h ILE 332 Cb 1.30 2.58 -0.10 0.00 0.47 0.00 0.00 36.82 41.06 3fg0 h ILE 332 CO 0.54 0.84 0.19 -0.94 -3.07 0.00 0.00 178.15 175.70 3fg0 s SER 333 N -6.76 -0.45 0.23 2.19 1.04 -1.26 -4.70 113.70 103.98 3fg0 s SER 333 Ca 0.00 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 3fg0 s SER 333 Cb 0.11 0.63 0.23 0.00 0.10 0.00 0.00 66.02 67.09 3fg0 s SER 333 CO 0.80 -1.07 1.71 0.71 0.98 0.00 0.00 173.24 176.37 3fg0 h THR 334 N 2.03 1.25 -0.05 2.02 1.35 -1.97 -1.05 112.91 116.49 3fg0 h THR 334 Ca -0.30 -1.09 -0.12 0.00 -0.55 0.00 0.00 66.41 64.35 3fg0 h THR 334 Cb 1.29 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3fg0 h THR 334 CO 0.35 0.39 -0.54 1.05 -0.25 0.00 0.00 175.52 176.51 3fg0 h GLU 335 N 0.82 0.14 -0.12 4.72 9.09 -1.99 -0.86 114.58 126.38 3fg0 h GLU 335 Ca 0.15 -0.08 -0.22 0.00 0.05 0.00 0.00 59.36 59.26 3fg0 h GLU 335 Cb 0.51 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.63 3fg0 h GLU 335 CO 0.03 0.64 -0.79 1.25 0.05 0.00 0.00 179.01 180.19 3fg0 h HIS 336 N 0.11 1.02 -0.68 2.06 2.76 -1.86 -1.84 115.15 116.72 3fg0 h HIS 336 Ca -0.00 -0.47 0.04 0.00 -2.20 0.00 0.00 60.37 57.74 3fg0 h HIS 336 Cb 0.99 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 3fg0 h HIS 336 CO 0.01 1.30 0.41 -0.09 -1.30 0.00 0.00 177.93 178.26 3fg0 h ARG 337 N 0.45 0.75 -0.82 5.26 2.43 -1.03 -0.84 114.38 120.58 3fg0 h ARG 337 Ca -0.07 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3fg0 h ARG 337 Cb 1.43 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 3fg0 h ARG 337 CO 0.16 0.50 0.53 -0.97 -1.51 0.00 0.00 179.97 178.68 3fg0 h ASN 338 N 0.78 0.88 -0.12 -3.80 -1.24 -1.07 0.11 115.58 111.11 3fg0 h ASN 338 Ca 0.29 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.29 3fg0 h ASN 338 Cb 0.09 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 3fg0 h ASN 338 CO -0.14 0.61 0.07 0.50 -1.29 0.00 0.00 177.43 177.19 3fg0 h LYS 339 N 1.04 0.15 -0.40 6.67 3.64 -0.44 -0.67 116.57 126.55 3fg0 h LYS 339 Ca 0.32 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 3fg0 h LYS 339 Cb -0.02 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3fg0 h LYS 339 CO -0.10 0.10 0.22 0.82 -2.27 0.00 0.00 179.45 178.21 3fg0 h ILE 340 N 0.15 1.01 -0.98 2.00 2.04 -0.62 -1.80 117.51 119.31 3fg0 h ILE 340 Ca 0.05 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3fg0 h ILE 340 Cb -0.01 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 3fg0 h ILE 340 CO -0.02 0.08 0.63 -0.33 0.00 0.00 0.00 178.15 178.51 3fg0 h GLU 341 N 0.45 1.10 0.00 2.37 5.08 -0.62 -1.93 114.58 121.02 3fg0 h GLU 341 Ca 0.16 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3fg0 h GLU 341 Cb 0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3fg0 h GLU 341 CO -0.09 0.73 -0.22 0.66 -1.00 0.00 0.00 179.01 179.08 3fg0 h SER 342 N 1.13 0.00 0.84 1.42 4.64 -0.28 -2.24 113.55 119.05 3fg0 h SER 342 Ca 0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.67 3fg0 h SER 342 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3fg0 h SER 342 CO -0.18 0.22 -0.41 1.88 -0.87 0.00 0.00 176.83 177.47 3fg0 h TYR 343 N 0.00 0.00 -0.73 4.77 0.05 -0.84 -2.68 116.97 117.54 3fg0 h TYR 343 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3fg0 h TYR 343 Cb 0.39 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 3fg0 h TYR 343 CO 0.00 0.41 0.36 0.52 -1.05 0.00 0.00 178.16 178.40 3fg0 h MET 344 N 0.00 1.04 -0.48 4.88 2.86 -1.25 -0.63 114.93 121.34 3fg0 h MET 344 Ca -0.00 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 3fg0 h MET 344 Cb 0.94 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 3fg0 h MET 344 CO 0.05 0.80 -0.15 -0.44 1.06 0.00 0.00 176.91 178.24 3fg0 h ASP 345 N 1.01 0.93 -0.36 1.22 3.32 -1.58 -2.26 116.42 118.70 3fg0 h ASP 345 Ca 0.25 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3fg0 h ASP 345 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3fg0 h ASP 345 CO -0.03 1.07 0.23 0.58 -1.72 0.00 0.00 179.24 179.37 3fg0 h VAL 346 N 0.82 1.07 -0.15 -1.35 2.07 -1.24 -0.18 116.25 117.30 3fg0 h VAL 346 Ca 0.12 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3fg0 h VAL 346 Cb 0.69 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3fg0 h VAL 346 CO 0.05 0.09 0.08 0.00 0.02 0.00 0.00 177.57 177.81 3fg0 h ALA 347 N 1.14 0.18 -0.00 1.67 0.00 -0.93 -2.29 119.26 119.04 3fg0 h ALA 347 Ca 0.14 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 347 Cb -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fg0 h ALA 347 CO -0.04 -0.35 -0.60 0.87 0.00 0.00 0.00 179.25 179.13 3fg0 h LYS 348 N 0.17 0.01 -0.18 0.00 1.57 -1.26 -1.35 116.57 115.53 3fg0 h LYS 348 Ca 0.06 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3fg0 h LYS 348 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3fg0 h LYS 348 CO -0.03 0.60 -0.22 0.00 -0.57 0.00 0.00 179.45 179.23 3fg0 h ALA 349 N 1.40 1.31 -0.02 3.86 0.00 -0.80 -3.03 119.26 121.98 3fg0 h ALA 349 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fg0 h ALA 349 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3fg0 h ALA 349 CO 0.08 0.47 -0.00 -0.85 0.00 0.00 0.00 179.25 178.94 3fg0 n GLU 350 N -4.18 1.89 0.00 0.00 0.28 -0.88 -4.95 120.64 112.81 3fg0 n GLU 350 Ca -0.01 -1.31 0.00 0.00 -0.16 0.00 0.00 57.16 55.69 3fg0 n GLU 350 Cb 0.35 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.75 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fg0 n GLY 351 N 1.24 1.05 3.91 -1.84 0.00 -1.08 -5.03 105.19 103.44 3fg0 n GLY 351 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3fg0 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 352 N -2.00 3.14 -0.09 4.61 0.00 -0.53 -4.86 121.76 122.03 3fg0 s ALA 352 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3fg0 s ALA 352 Cb 0.00 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3fg0 s ALA 352 CO 0.00 -0.98 -0.10 0.99 0.00 0.00 0.00 175.76 175.67 3fg0 s THR 353 N -3.15 3.39 -0.62 0.00 2.01 0.20 -4.31 115.64 113.16 3fg0 s THR 353 Ca 0.56 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.78 3fg0 s THR 353 Cb -0.11 -2.40 0.09 0.00 0.01 0.00 0.00 72.50 70.10 3fg0 s THR 353 CO 0.47 0.56 0.81 -0.63 -0.69 0.00 0.00 174.62 175.14 3fg0 s ILE 354 N -0.29 4.63 0.17 1.82 -1.09 -1.26 -0.78 121.20 124.40 3fg0 s ILE 354 Ca 0.03 -0.77 0.11 0.00 -2.23 0.00 0.00 60.65 57.80 3fg0 s ILE 354 Cb -0.13 -4.57 -0.05 0.00 -1.58 0.00 0.00 42.46 36.13 3fg0 s ILE 354 CO 0.03 -1.26 1.51 0.00 -1.23 0.00 0.00 174.94 173.99 3fg0 h ALA 355 N 9.33 0.76 -1.88 9.38 0.00 -1.40 -3.46 119.26 131.97 3fg0 h ALA 355 Ca -0.29 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.00 3fg0 h ALA 355 Cb 1.08 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.56 3fg0 h ALA 355 CO 1.13 0.87 0.35 0.54 0.00 0.00 0.00 179.25 182.14 3fg0 s VAL 356 N -3.27 0.00 0.00 0.00 0.11 -1.20 -4.98 120.40 111.07 3fg0 s VAL 356 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3fg0 s VAL 356 Cb 0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 3fg0 s VAL 356 CO 0.77 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.15 3fg0 n GLY 357 N 0.72 0.71 1.97 6.54 0.00 -1.25 -2.16 105.19 111.71 3fg0 n GLY 357 Ca -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3fg0 n GLY 357 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg0 n GLY 358 N 0.00 0.39 3.70 -0.02 0.00 -1.26 -4.99 105.19 103.01 3fg0 n GLY 358 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 3fg0 n GLY 358 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg0 s LYS 359 N -2.11 1.72 0.52 1.61 -2.85 -1.26 -4.99 119.74 112.39 3fg0 s LYS 359 Ca 0.00 -1.21 -0.18 0.00 -1.00 0.00 0.00 55.97 53.58 3fg0 s LYS 359 Cb 0.00 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.23 3fg0 s LYS 359 CO 0.00 -0.75 1.02 1.03 0.10 0.00 0.00 175.35 176.75 3fg0 s ARG 360 N -3.76 3.73 0.47 1.78 0.52 -1.26 -1.25 118.95 119.18 3fg0 s ARG 360 Ca 0.18 1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 56.34 3fg0 s ARG 360 Cb -0.03 -2.10 -0.08 0.00 0.52 0.00 0.00 34.95 33.27 3fg0 s ARG 360 CO 0.09 -0.47 1.07 -1.25 0.02 0.00 0.00 175.30 174.77 3fg0 s PRO 361 N -3.76 3.80 0.00 3.54 0.04 -1.26 -4.82 135.00 132.54 3fg0 s PRO 361 Ca 0.63 1.49 0.26 0.00 0.04 0.00 0.00 61.00 63.43 3fg0 s PRO 361 Cb -0.13 -2.22 0.72 0.00 0.04 0.00 0.00 34.50 32.90 3fg0 s PRO 361 CO 0.28 -0.45 1.55 -0.40 0.04 0.00 0.00 177.00 178.02 3fg0 n ASP 362 N -0.75 1.93 -4.72 6.66 5.75 -1.26 -4.86 116.55 119.30 3fg0 n ASP 362 Ca 0.08 -1.59 -0.42 0.00 -0.01 0.00 0.00 54.79 52.85 3fg0 n ASP 362 Cb 0.51 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.60 3fg0 n ASP 362 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3fg0 s ARG 363 N -2.07 4.19 0.27 0.11 3.52 -1.26 -4.89 118.95 118.82 3fg0 s ARG 363 Ca 0.33 2.43 -0.02 0.00 -0.13 0.00 0.00 55.73 58.34 3fg0 s ARG 363 Cb 0.20 -3.15 0.42 0.00 -1.56 0.00 0.00 34.95 30.86 3fg0 s ARG 363 CO 0.35 -0.65 1.89 0.22 -0.81 0.00 0.00 175.30 176.30 3fg0 h ASP 364 N 6.87 1.03 0.14 -2.12 1.82 -2.02 -0.30 116.42 121.84 3fg0 h ASP 364 Ca -0.43 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 3fg0 h ASP 364 Cb 1.20 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.00 3fg0 h ASP 364 CO 0.93 0.66 0.00 -0.90 -1.61 0.00 0.00 179.24 178.32 3fg0 n ASP 365 N -4.50 0.00 -0.44 2.28 5.75 -1.26 -1.84 116.55 116.55 3fg0 n ASP 365 Ca 0.15 -0.32 0.08 0.00 -0.01 0.00 0.00 54.79 54.69 3fg0 n ASP 365 Cb 0.18 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.17 3fg0 n ASP 365 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fg0 n LEU 366 N -1.12 1.80 0.26 -2.12 4.77 -0.13 -4.71 117.00 115.75 3fg0 n LEU 366 Ca 0.12 -0.83 0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3fg0 n LEU 366 Cb 0.10 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 41.93 3fg0 n LEU 366 CO 0.12 0.34 1.10 0.07 -1.33 0.00 0.00 177.39 177.68 3fg0 h LYS 367 N 2.13 0.00 0.00 3.23 2.10 -1.32 -1.98 116.57 120.74 3fg0 h LYS 367 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fg0 h LYS 367 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 3fg0 h LYS 367 CO 0.00 0.00 -0.62 -0.25 -2.00 0.00 0.00 179.45 176.58 3fg0 n ASP 368 N -4.26 0.61 -4.99 7.07 8.00 -1.26 -4.95 116.55 116.76 3fg0 n ASP 368 Ca -0.02 -0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.25 3fg0 n ASP 368 Cb 0.12 0.26 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 3fg0 n ASP 368 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3fg0 s GLY 369 N -3.42 1.78 -1.31 0.44 0.00 -0.75 -3.96 107.32 100.10 3fg0 s GLY 369 Ca 0.08 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.24 3fg0 s GLY 369 CO 0.72 -1.34 2.36 1.04 0.00 0.00 0.00 173.10 175.88 3fg0 n LEU 370 N -1.87 8.01 -4.88 0.66 4.77 -0.62 -4.98 117.00 118.10 3fg0 n LEU 370 Ca 0.05 -4.90 -0.33 0.00 -0.03 0.00 0.00 56.01 50.80 3fg0 n LEU 370 Cb 0.59 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 3fg0 n LEU 370 CO 0.41 2.05 0.10 -0.36 -1.33 0.00 0.00 177.39 178.26 3fg0 s PHE 371 N -1.22 3.51 -0.07 -1.77 0.40 -1.26 0.02 117.98 117.60 3fg0 s PHE 371 Ca 0.53 0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 57.57 3fg0 s PHE 371 Cb 0.18 -2.14 0.03 0.00 0.51 0.00 0.00 43.02 41.60 3fg0 s PHE 371 CO -0.09 0.43 0.16 0.12 0.70 0.00 0.00 175.22 176.54 3fg0 s PHE 372 N -1.58 -0.19 0.34 0.36 5.36 -1.26 -4.41 117.98 116.60 3fg0 s PHE 372 Ca 0.39 0.50 -0.28 0.00 -0.96 0.00 0.00 56.93 56.57 3fg0 s PHE 372 Cb -0.13 -0.01 -0.10 0.00 -0.34 0.00 0.00 43.02 42.45 3fg0 s PHE 372 CO 0.21 -0.14 1.24 -1.21 -1.46 0.00 0.00 175.22 173.85 3fg0 s GLU 373 N 0.74 4.34 0.25 10.12 2.02 -0.38 -4.89 118.70 130.91 3fg0 s GLU 373 Ca -0.05 2.05 -0.31 0.00 0.02 0.00 0.00 54.97 56.68 3fg0 s GLU 373 Cb -0.07 -3.01 -0.12 0.00 0.10 0.00 0.00 34.13 31.03 3fg0 s GLU 373 CO -0.04 -0.14 1.60 -0.35 0.02 0.00 0.00 175.26 176.35 3fg0 n PRO 374 N 0.72 2.57 -4.59 0.39 -0.04 -1.26 -4.14 135.00 128.66 3fg0 n PRO 374 Ca 0.01 0.92 -0.22 0.00 -0.04 0.00 0.00 63.50 64.16 3fg0 n PRO 374 Cb 0.43 -2.70 -0.14 0.00 -0.04 0.00 0.00 33.50 31.05 3fg0 n PRO 374 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fg0 s THR 375 N 0.35 1.21 -0.12 0.52 2.01 0.34 -3.97 115.64 115.99 3fg0 s THR 375 Ca 0.69 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.89 3fg0 s THR 375 Cb -0.54 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 70.95 3fg0 s THR 375 CO 0.44 0.22 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.77 3fg0 s VAL 376 N -0.55 1.40 -0.17 3.82 1.01 -0.92 -1.67 120.40 123.32 3fg0 s VAL 376 Ca 0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3fg0 s VAL 376 Cb -0.07 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3fg0 s VAL 376 CO 0.00 0.42 -0.04 -0.63 0.00 0.00 0.00 175.10 174.85 3fg0 s ILE 377 N 1.23 3.69 0.48 2.22 1.01 0.10 -0.93 121.20 129.00 3fg0 s ILE 377 Ca -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3fg0 s ILE 377 Cb -0.14 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3fg0 s ILE 377 CO -0.05 0.47 0.02 0.42 0.00 0.00 0.00 174.94 175.80 3fg0 s THR 378 N 0.72 1.20 -1.33 2.92 -4.23 0.04 -1.10 115.64 113.85 3fg0 s THR 378 Ca -0.02 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 3fg0 s THR 378 Cb -0.15 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.40 3fg0 s THR 378 CO 0.02 0.00 1.02 0.59 -0.54 0.00 0.00 174.62 175.72 3fg0 n ASN 379 N -1.22 -4.02 -4.63 3.99 3.02 -1.26 -0.62 115.26 110.52 3fg0 n ASN 379 Ca -0.15 -0.65 -0.29 0.00 -0.03 0.00 0.00 54.58 53.47 3fg0 n ASN 379 Cb 0.67 -4.73 -0.10 0.00 -0.61 0.00 0.00 39.78 35.00 3fg0 n ASN 379 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg0 s ASP 381 N -3.73 0.02 0.63 0.00 1.47 -1.26 -4.79 116.67 109.01 3fg0 s ASP 381 Ca 0.29 -1.08 0.39 0.00 1.18 0.00 0.00 52.55 53.33 3fg0 s ASP 381 Cb 0.08 0.54 2.16 0.00 -0.34 0.00 0.00 42.92 45.35 3fg0 s ASP 381 CO 0.15 -1.07 2.31 0.00 0.68 0.00 0.00 175.17 177.23 3fg0 h THR 382 N 2.34 0.18 0.00 2.11 1.03 -1.98 -1.36 112.91 115.23 3fg0 h THR 382 Ca -0.29 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 3fg0 h THR 382 Cb 1.25 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.38 3fg0 h THR 382 CO 0.40 0.01 0.00 -1.54 -0.01 0.00 0.00 175.52 174.38 3fg0 n SER 383 N -3.33 0.59 -4.79 0.00 3.41 -1.26 -4.61 113.62 103.64 3fg0 n SER 383 Ca -0.03 0.60 -0.36 0.00 -0.26 0.00 0.00 58.87 58.82 3fg0 n SER 383 Cb 0.10 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 3fg0 n SER 383 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fg0 s MET 384 N -3.17 4.47 0.28 4.33 -1.94 -0.52 -4.96 119.30 117.80 3fg0 s MET 384 Ca 0.08 1.33 -0.02 0.00 -1.71 0.00 0.00 55.69 55.37 3fg0 s MET 384 Cb 0.12 -2.68 0.40 0.00 2.01 0.00 0.00 34.83 34.68 3fg0 s MET 384 CO 0.48 0.17 1.91 0.00 -0.01 0.00 0.00 175.02 177.57 3fg0 h ARG 385 N 2.90 1.03 0.00 2.03 3.08 -1.89 -1.57 114.38 119.96 3fg0 h ARG 385 Ca -0.47 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.45 3fg0 h ARG 385 Cb 1.19 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 3fg0 h ARG 385 CO 0.64 0.76 -0.08 0.97 -1.07 0.00 0.00 179.97 181.19 3fg0 h ILE 386 N 1.04 0.97 0.14 2.04 6.09 -1.90 -0.11 117.51 125.78 3fg0 h ILE 386 Ca 0.26 -0.28 -0.33 0.00 -1.37 0.00 0.00 64.86 63.14 3fg0 h ILE 386 Cb 0.03 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.47 3fg0 h ILE 386 CO -0.04 0.08 -1.68 0.58 -3.07 0.00 0.00 178.15 174.01 3fg0 h VAL 387 N 0.00 0.99 0.02 2.19 2.07 -1.73 -3.39 116.25 116.40 3fg0 h VAL 387 Ca -0.00 -2.62 -0.22 0.00 0.82 0.00 0.00 66.70 64.68 3fg0 h VAL 387 Cb 0.15 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3fg0 h VAL 387 CO 0.01 0.83 -1.03 1.56 0.02 0.00 0.00 177.57 178.96 3fg0 h GLN 388 N 0.08 0.05 -6.05 1.57 1.08 -0.91 -3.47 115.11 107.45 3fg0 h GLN 388 Ca -0.31 -0.08 -0.62 0.00 -1.45 0.00 0.00 58.65 56.19 3fg0 h GLN 388 Cb 2.06 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 29.45 3fg0 h GLN 388 CO 0.16 1.03 -0.55 -1.21 -0.95 0.00 0.00 178.83 177.31 3fg0 s GLU 389 N -2.72 3.16 -0.50 1.46 2.02 -0.09 -4.78 118.70 117.25 3fg0 s GLU 389 Ca 0.00 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.14 3fg0 s GLU 389 Cb 0.10 -2.88 0.03 0.00 0.10 0.00 0.00 34.13 31.48 3fg0 s GLU 389 CO 0.83 0.58 1.10 -2.00 0.02 0.00 0.00 175.26 175.79 3fg0 s GLU 390 N -2.50 3.62 0.04 1.61 2.12 -1.26 -4.87 118.70 117.45 3fg0 s GLU 390 Ca 0.32 0.37 -0.05 0.00 0.36 0.00 0.00 54.97 55.97 3fg0 s GLU 390 Cb -0.12 -3.95 -0.29 0.00 0.26 0.00 0.00 34.13 30.03 3fg0 s GLU 390 CO 0.25 -1.44 0.99 0.28 -0.54 0.00 0.00 175.26 174.80 3fg0 h VAL 391 N 6.18 1.31 -5.60 3.70 2.07 -1.91 -3.48 116.25 118.52 3fg0 h VAL 391 Ca -0.24 -2.90 -0.40 0.00 0.82 0.00 0.00 66.70 63.98 3fg0 h VAL 391 Cb 1.06 2.86 0.12 0.00 -1.52 0.00 0.00 31.29 33.82 3fg0 h VAL 391 CO 1.12 0.85 -0.67 0.33 0.02 0.00 0.00 177.57 179.22 3fg0 n PHE 392 N -3.51 -2.71 -4.16 1.57 7.35 -1.26 -4.77 117.46 109.96 3fg0 n PHE 392 Ca -0.13 0.92 -0.11 0.00 -0.76 0.00 0.00 57.45 57.37 3fg0 n PHE 392 Cb 1.04 -4.93 -0.04 0.00 0.35 0.00 0.00 39.48 35.90 3fg0 n PHE 392 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fg0 n GLY 393 N -1.92 3.44 2.67 7.13 0.00 -1.24 -4.23 105.19 111.04 3fg0 n GLY 393 Ca -0.01 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3fg0 n GLY 393 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fg0 n PRO 394 N -0.36 3.05 -3.74 1.61 -0.04 -0.07 -4.14 135.00 131.31 3fg0 n PRO 394 Ca 0.04 -2.61 -0.15 0.00 -0.04 0.00 0.00 63.50 60.74 3fg0 n PRO 394 Cb 0.33 -3.19 -0.15 0.00 -0.04 0.00 0.00 33.50 30.45 3fg0 n PRO 394 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg0 s VAL 395 N 2.82 -0.07 0.06 0.52 1.01 -1.26 -0.50 120.40 122.96 3fg0 s VAL 395 Ca 0.50 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3fg0 s VAL 395 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 3fg0 s VAL 395 CO -0.08 0.09 -0.19 0.68 0.00 0.00 0.00 175.10 175.60 3fg0 s VAL 396 N 1.29 1.56 0.12 2.92 -7.23 -0.67 -4.67 120.40 113.72 3fg0 s VAL 396 Ca -0.07 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3fg0 s VAL 396 Cb -0.12 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 3fg0 s VAL 396 CO -0.05 0.09 0.15 0.42 -0.31 0.00 0.00 175.10 175.41 3fg0 s THR 397 N -0.91 4.76 -0.15 5.32 -4.23 0.21 -0.72 115.64 119.92 3fg0 s THR 397 Ca 0.06 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3fg0 s THR 397 Cb -0.09 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.40 3fg0 s THR 397 CO 0.02 0.01 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.27 3fg0 s VAL 398 N -1.59 1.64 0.09 2.29 1.01 -0.26 -0.83 120.40 122.76 3fg0 s VAL 398 Ca 0.31 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.70 3fg0 s VAL 398 Cb -0.11 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3fg0 s VAL 398 CO 0.24 0.47 -0.25 -1.61 0.00 0.00 0.00 175.10 173.95 3fg0 s GLU 399 N 1.38 1.49 0.30 2.72 2.02 -0.20 -4.29 118.70 122.12 3fg0 s GLU 399 Ca 0.03 -1.19 0.02 0.00 0.02 0.00 0.00 54.97 53.85 3fg0 s GLU 399 Cb -0.13 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 3fg0 s GLU 399 CO -0.10 0.44 0.47 0.20 0.02 0.00 0.00 175.26 176.30 3fg0 s GLY 400 N -1.65 1.34 0.02 -1.39 0.00 -1.26 -0.92 107.32 103.46 3fg0 s GLY 400 Ca 0.11 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 3fg0 s GLY 400 CO 0.04 -0.97 0.19 -0.11 0.00 0.00 0.00 173.10 172.25 3fg0 s PHE 401 N -2.16 0.03 -0.24 1.90 -0.12 -0.95 -4.83 117.98 111.61 3fg0 s PHE 401 Ca 0.38 -0.18 -0.10 0.00 -0.05 0.00 0.00 56.93 56.97 3fg0 s PHE 401 Cb -0.10 -0.03 -0.16 0.00 -0.63 0.00 0.00 43.02 42.11 3fg0 s PHE 401 CO 0.33 -0.38 -0.14 -1.91 -0.05 0.00 0.00 175.22 173.07 3fg0 n GLU 402 N 0.97 0.62 -4.46 1.99 4.07 -1.26 -0.86 120.64 121.71 3fg0 n GLU 402 Ca -0.20 0.29 -0.25 0.00 -0.06 0.00 0.00 57.16 56.93 3fg0 n GLU 402 Cb 0.58 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 30.29 3fg0 n GLU 402 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3fg0 s THR 403 N -2.49 2.43 0.22 6.31 -4.23 -1.26 -4.76 115.64 111.85 3fg0 s THR 403 Ca -0.34 -2.13 -0.08 0.00 -1.18 0.00 0.00 61.69 57.95 3fg0 s THR 403 Cb 0.11 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.43 3fg0 s THR 403 CO 0.57 -0.22 1.80 -0.08 -0.54 0.00 0.00 174.62 176.15 3fg0 h GLU 404 N 1.96 0.66 -0.83 3.99 4.81 -2.00 -1.12 114.58 122.06 3fg0 h GLU 404 Ca -0.42 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3fg0 h GLU 404 Cb 1.25 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3fg0 h GLU 404 CO 0.68 0.44 0.51 1.96 -0.73 0.00 0.00 179.01 181.87 3fg0 h GLN 405 N 0.68 1.12 -0.31 1.92 7.50 -2.00 -1.76 115.11 122.27 3fg0 h GLN 405 Ca 0.32 -0.10 -0.11 0.00 0.50 0.00 0.00 58.65 59.26 3fg0 h GLN 405 Cb 0.23 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 3fg0 h GLN 405 CO -0.20 0.78 -0.27 1.49 -1.50 0.00 0.00 178.83 179.13 3fg0 h GLU 406 N 1.14 0.62 -0.26 1.46 4.81 -1.73 -1.56 114.58 119.06 3fg0 h GLU 406 Ca 0.30 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fg0 h GLU 406 Cb -0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3fg0 h GLU 406 CO -0.06 0.83 0.16 0.00 -0.73 0.00 0.00 179.01 179.21 3fg0 h ALA 407 N 1.17 0.32 0.00 2.92 0.00 -0.68 -0.95 119.26 122.04 3fg0 h ALA 407 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 407 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fg0 h ALA 407 CO 0.06 -0.21 -0.00 0.82 0.00 0.00 0.00 179.25 179.91 3fg0 h ILE 408 N 0.34 1.03 -0.36 0.00 2.04 -1.19 -0.11 117.51 119.26 3fg0 h ILE 408 Ca 0.10 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3fg0 h ILE 408 Cb -0.03 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 3fg0 h ILE 408 CO -0.03 0.02 -0.09 -0.61 0.00 0.00 0.00 178.15 177.45 3fg0 h GLN 409 N -0.04 -0.00 -0.33 2.37 5.75 -1.16 -1.47 115.11 120.23 3fg0 h GLN 409 Ca -0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3fg0 h GLN 409 Cb 0.04 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3fg0 h GLN 409 CO 0.00 -0.00 0.01 -0.07 -2.65 0.00 0.00 178.83 176.12 3fg0 h LEU 410 N -0.00 0.56 -1.05 -2.39 3.38 -1.05 -2.49 115.31 112.28 3fg0 h LEU 410 Ca 0.17 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3fg0 h LEU 410 Cb 0.26 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3fg0 h LEU 410 CO -0.37 0.72 0.64 0.00 0.09 0.00 0.00 178.44 179.52 3fg0 h ALA 411 N 0.86 1.41 -0.00 1.53 0.00 -0.68 -1.50 119.26 120.88 3fg0 h ALA 411 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 411 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fg0 h ALA 411 CO 0.01 0.46 -0.11 0.09 0.00 0.00 0.00 179.25 179.71 3fg0 n ASN 412 N -4.48 0.31 -3.92 0.00 5.03 -0.58 -4.51 115.26 107.10 3fg0 n ASN 412 Ca 0.14 -0.31 -0.42 0.00 0.87 0.00 0.00 54.58 54.86 3fg0 n ASN 412 Cb 0.16 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 3fg0 n ASN 412 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3fg0 n ASP 413 N -1.15 4.63 -3.70 6.41 2.03 -0.56 -4.83 116.55 119.38 3fg0 n ASP 413 Ca 0.13 -2.98 -0.08 0.00 0.52 0.00 0.00 54.79 52.37 3fg0 n ASP 413 Cb 0.28 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.09 3fg0 n ASP 413 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3fg0 s SER 414 N 2.18 -0.35 0.00 1.67 1.04 -1.26 -4.97 113.70 112.01 3fg0 s SER 414 Ca 0.44 -0.38 0.29 0.00 0.48 0.00 0.00 55.95 56.78 3fg0 s SER 414 Cb 0.10 0.65 1.20 0.00 0.10 0.00 0.00 66.02 68.07 3fg0 s SER 414 CO -0.03 -1.15 1.89 2.30 0.98 0.00 0.00 173.24 177.23 3fg0 n ILE 415 N -0.43 0.00 -3.01 -1.02 -5.35 -1.26 -4.91 119.36 103.38 3fg0 n ILE 415 Ca -0.08 -0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.20 3fg0 n ILE 415 Cb 0.61 -0.41 0.07 0.00 -1.74 0.00 0.00 39.64 38.17 3fg0 n ILE 415 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3fg0 s TYR 416 N -2.92 1.38 -0.31 4.28 2.02 -1.26 -0.51 117.35 120.02 3fg0 s TYR 416 Ca 0.16 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3fg0 s TYR 416 Cb 0.19 -2.25 0.07 0.00 -0.40 0.00 0.00 41.96 39.57 3fg0 s TYR 416 CO 0.54 -1.21 1.08 0.41 -1.57 0.00 0.00 175.55 174.80 3fg0 n GLY 417 N -2.29 -0.83 0.07 0.71 0.00 -1.20 -4.71 105.19 96.94 3fg0 n GLY 417 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 3fg0 n GLY 417 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fg0 n LEU 418 N -0.44 1.81 -3.82 0.99 7.94 -1.26 -0.17 117.00 122.06 3fg0 n LEU 418 Ca -0.26 0.62 -0.09 0.00 -1.11 0.00 0.00 56.01 55.16 3fg0 n LEU 418 Cb 0.65 -0.88 -0.05 0.00 0.53 0.00 0.00 43.42 43.68 3fg0 n LEU 418 CO -0.11 -0.41 0.20 0.00 -1.11 0.00 0.00 177.39 175.95 3fg0 s ALA 419 N -2.71 -0.65 -0.03 1.96 0.00 -1.26 -1.91 121.76 117.16 3fg0 s ALA 419 Ca -0.16 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 3fg0 s ALA 419 Cb 0.02 0.87 0.12 0.00 0.00 0.00 0.00 23.12 24.13 3fg0 s ALA 419 CO 0.25 -0.78 1.31 0.20 0.00 0.00 0.00 175.76 176.75 3fg0 s GLY 420 N -2.91 -0.32 0.09 0.00 0.00 -0.73 -3.71 107.32 99.73 3fg0 s GLY 420 Ca 0.12 0.50 0.03 0.00 0.00 0.00 0.00 44.72 45.37 3fg0 s GLY 420 CO -0.01 2.15 -0.08 0.00 0.00 0.00 0.00 173.10 175.16 3fg0 s ALA 421 N -2.22 1.00 -0.09 3.20 0.00 0.02 -0.79 121.76 122.89 3fg0 s ALA 421 Ca 0.20 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3fg0 s ALA 421 Cb 0.03 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3fg0 s ALA 421 CO -0.03 -0.11 -0.08 0.08 0.00 0.00 0.00 175.76 175.62 3fg0 s VAL 422 N -2.77 0.96 -0.27 0.00 1.01 0.26 -0.99 120.40 118.59 3fg0 s VAL 422 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3fg0 s VAL 422 Cb -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3fg0 s VAL 422 CO -0.02 0.35 0.04 -0.36 0.00 0.00 0.00 175.10 175.11 3fg0 s PHE 423 N 1.46 3.09 -0.28 5.22 0.08 0.12 -0.87 117.98 126.79 3fg0 s PHE 423 Ca -0.00 -0.92 -0.23 0.00 0.12 0.00 0.00 56.93 55.89 3fg0 s PHE 423 Cb -0.13 -2.20 0.11 0.00 -0.57 0.00 0.00 43.02 40.23 3fg0 s PHE 423 CO -0.05 -0.54 0.95 0.45 -0.10 0.00 0.00 175.22 175.93 3fg0 s SER 424 N 1.50 -0.54 0.46 1.36 0.15 -1.26 -1.60 113.70 113.77 3fg0 s SER 424 Ca 0.04 1.00 0.30 0.00 0.70 0.00 0.00 55.95 57.99 3fg0 s SER 424 Cb -0.16 1.05 1.10 0.00 -1.71 0.00 0.00 66.02 66.30 3fg0 s SER 424 CO 0.01 -0.17 1.86 0.11 1.20 0.00 0.00 173.24 176.25 3fg0 h LYS 425 N 4.73 0.00 -6.20 5.44 1.57 -1.57 -3.39 116.57 117.15 3fg0 h LYS 425 Ca -0.28 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.93 3fg0 h LYS 425 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 3fg0 h LYS 425 CO 0.11 0.00 1.23 0.34 -0.57 0.00 0.00 179.45 180.56 3fg0 s ASP 426 N -5.44 6.31 0.24 0.86 -1.08 -1.26 -4.86 116.67 111.45 3fg0 s ASP 426 Ca 0.03 -0.92 -0.01 0.00 -0.52 0.00 0.00 52.55 51.13 3fg0 s ASP 426 Cb 0.09 -2.56 0.29 0.00 -1.46 0.00 0.00 42.92 39.28 3fg0 s ASP 426 CO 0.54 -1.68 1.68 0.40 0.52 0.00 0.00 175.17 176.63 3fg0 h ILE 427 N 6.35 1.27 -0.67 4.11 1.08 -2.00 -1.82 117.51 125.83 3fg0 h ILE 427 Ca -0.07 -1.27 0.05 0.00 -0.39 0.00 0.00 64.86 63.17 3fg0 h ILE 427 Cb 1.03 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.96 3fg0 h ILE 427 CO 1.34 0.42 0.40 1.23 -0.69 0.00 0.00 178.15 180.84 3fg0 h GLY 428 N 0.99 0.98 0.84 5.37 0.00 -1.95 -0.95 103.07 108.35 3fg0 h GLY 428 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3fg0 h GLY 428 CO 0.05 0.21 0.04 1.70 0.00 0.00 0.00 176.54 178.54 3fg0 h LYS 429 N 0.75 0.29 -0.92 4.80 3.64 -1.87 -1.88 116.57 121.37 3fg0 h LYS 429 Ca 0.29 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 3fg0 h LYS 429 Cb 0.11 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3fg0 h LYS 429 CO -0.15 0.43 0.60 0.00 -2.27 0.00 0.00 179.45 178.06 3fg0 h ALA 430 N 0.85 1.56 -0.30 5.00 0.00 -1.01 -1.61 119.26 123.75 3fg0 h ALA 430 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3fg0 h ALA 430 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 430 CO 0.00 0.26 -0.37 0.37 0.00 0.00 0.00 179.25 179.51 3fg0 h GLN 431 N 0.97 0.68 -0.49 0.00 5.75 -0.96 -0.38 115.11 120.69 3fg0 h GLN 431 Ca 0.42 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3fg0 h GLN 431 Cb 0.33 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3fg0 h GLN 431 CO -0.18 0.95 0.31 0.00 -2.65 0.00 0.00 178.83 177.26 3fg0 h ARG 432 N 0.57 0.66 -0.42 1.69 3.08 -0.50 -1.41 114.38 118.04 3fg0 h ARG 432 Ca 0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3fg0 h ARG 432 Cb 0.90 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3fg0 h ARG 432 CO 0.08 0.46 0.07 0.28 -1.07 0.00 0.00 179.97 179.78 3fg0 h VAL 433 N 0.66 1.24 -0.98 2.04 2.07 -1.23 -3.05 116.25 117.01 3fg0 h VAL 433 Ca 0.18 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3fg0 h VAL 433 Cb -0.04 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3fg0 h VAL 433 CO -0.04 0.31 0.64 0.00 0.02 0.00 0.00 177.57 178.50 3fg0 h ALA 434 N 0.93 1.33 0.00 1.67 0.00 -0.72 -1.14 119.26 121.33 3fg0 h ALA 434 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fg0 h ALA 434 Cb 0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fg0 h ALA 434 CO 0.01 0.48 -0.08 -0.91 0.00 0.00 0.00 179.25 178.74 3fg0 h ASN 435 N 1.20 0.00 -0.00 0.00 2.35 -1.16 -3.03 115.58 114.93 3fg0 h ASN 435 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3fg0 h ASN 435 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3fg0 h ASN 435 CO -0.15 0.08 -0.83 0.29 -1.65 0.00 0.00 177.43 175.18 3fg0 n LYS 436 N -3.29 0.45 -2.85 0.81 5.02 -0.50 -4.93 118.16 112.87 3fg0 n LYS 436 Ca -0.01 -0.31 -0.40 0.00 -2.02 0.00 0.00 58.31 55.57 3fg0 n LYS 436 Cb 0.29 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 3fg0 n LYS 436 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg0 s LEU 437 N -2.82 4.50 -1.27 -0.35 1.43 -0.81 -4.96 118.68 114.39 3fg0 s LEU 437 Ca 0.11 1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 3fg0 s LEU 437 Cb 0.16 -3.42 0.14 0.00 0.03 0.00 0.00 46.19 43.10 3fg0 s LEU 437 CO 0.77 0.00 1.70 0.29 0.23 0.00 0.00 176.35 179.34 3fg0 n LYS 438 N 2.62 3.36 -3.86 1.70 5.02 -1.26 -4.92 118.16 120.82 3fg0 n LYS 438 Ca -0.01 -3.53 -0.12 0.00 -2.02 0.00 0.00 58.31 52.64 3fg0 n LYS 438 Cb 0.49 -3.11 -0.13 0.00 -0.02 0.00 0.00 35.03 32.26 3fg0 n LYS 438 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg0 s LEU 439 N 1.58 1.80 0.42 -0.35 1.43 -1.26 -4.37 118.68 117.93 3fg0 s LEU 439 Ca 0.44 0.04 0.19 0.00 -1.03 0.00 0.00 54.13 53.77 3fg0 s LEU 439 Cb 0.04 0.23 0.92 0.00 0.03 0.00 0.00 46.19 47.41 3fg0 s LEU 439 CO 0.01 -0.07 1.88 1.23 0.23 0.00 0.00 176.35 179.62 3fg0 h GLY 440 N 5.79 0.00 -6.65 -3.19 0.00 -0.88 -3.42 103.07 94.71 3fg0 h GLY 440 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.74 3fg0 h GLY 440 CO 0.46 0.00 -0.74 -1.59 0.00 0.00 0.00 176.54 174.67 3fg0 s THR 441 N -4.05 0.01 -0.11 4.70 2.01 -0.94 -4.76 115.64 112.50 3fg0 s THR 441 Ca -0.02 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.23 3fg0 s THR 441 Cb 0.13 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.49 3fg0 s THR 441 CO 0.67 0.13 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.84 3fg0 s VAL 442 N 1.29 1.79 -0.15 3.82 1.01 -1.26 -1.78 120.40 125.12 3fg0 s VAL 442 Ca -0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3fg0 s VAL 442 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3fg0 s VAL 442 CO -0.03 0.50 0.12 0.26 0.00 0.00 0.00 175.10 175.95 3fg0 s TRP 443 N 0.65 3.45 -0.30 5.22 0.51 0.03 -5.00 118.94 123.51 3fg0 s TRP 443 Ca -0.13 0.37 -0.08 0.00 -2.12 0.00 0.00 56.10 54.15 3fg0 s TRP 443 Cb -0.16 -2.03 0.00 0.00 -0.81 0.00 0.00 33.47 30.47 3fg0 s TRP 443 CO 0.03 0.48 0.11 0.42 -0.51 0.00 0.00 176.95 177.48 3fg0 s ILE 444 N -0.33 4.21 -1.38 2.03 1.01 -1.26 -0.58 121.20 124.90 3fg0 s ILE 444 Ca 0.11 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 3fg0 s ILE 444 Cb -0.12 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.23 3fg0 s ILE 444 CO 0.01 0.08 0.99 0.59 0.00 0.00 0.00 174.94 176.61 3fg0 n ASN 445 N 4.91 -4.09 -3.66 3.58 3.02 -0.05 -4.98 115.26 114.00 3fg0 n ASN 445 Ca -0.14 -0.69 -0.07 0.00 -0.03 0.00 0.00 54.58 53.65 3fg0 n ASN 445 Cb 0.48 -4.46 -0.01 0.00 -0.61 0.00 0.00 39.78 35.19 3fg0 n ASN 445 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fg0 s ASP 446 N -3.70 -0.19 -0.19 6.41 -1.08 -1.26 -5.08 116.67 111.57 3fg0 s ASP 446 Ca 0.40 -0.68 -0.11 0.00 -0.52 0.00 0.00 52.55 51.64 3fg0 s ASP 446 Cb -0.19 0.71 0.06 0.00 -1.46 0.00 0.00 42.92 42.05 3fg0 s ASP 446 CO 0.78 -1.34 0.47 0.12 0.52 0.00 0.00 175.17 175.72 3fg0 s PHE 447 N -3.48 -0.69 0.00 -5.34 5.36 -1.26 -4.72 117.98 107.85 3fg0 s PHE 447 Ca 0.12 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 3fg0 s PHE 447 Cb -0.05 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 3fg0 s PHE 447 CO 0.07 -0.38 0.00 0.72 -1.46 0.00 0.00 175.22 174.17 3fg0 n HIS 448 N 4.23 0.00 -1.69 10.12 8.25 -1.26 -4.93 115.22 129.94 3fg0 n HIS 448 Ca -0.22 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.79 3fg0 n HIS 448 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 3fg0 n HIS 448 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3fg0 n PRO 449 N -1.19 2.50 -4.08 -0.41 -0.02 -1.26 -5.00 135.00 125.54 3fg0 n PRO 449 Ca 0.00 0.91 -0.10 0.00 -2.02 0.00 0.00 63.50 62.29 3fg0 n PRO 449 Cb 0.00 -2.74 -0.11 0.00 -0.02 0.00 0.00 33.50 30.63 3fg0 n PRO 449 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fg0 s TYR 450 N 1.81 0.60 0.10 6.00 -0.85 -1.26 -5.06 117.35 118.69 3fg0 s TYR 450 Ca 0.80 -0.76 -0.25 0.00 -0.52 0.00 0.00 57.07 56.34 3fg0 s TYR 450 Cb -0.58 -0.38 0.08 0.00 0.38 0.00 0.00 41.96 41.45 3fg0 s TYR 450 CO 0.38 -0.20 0.67 -0.59 -1.52 0.00 0.00 175.55 174.29 3fg0 s PHE 451 N -2.63 -0.51 0.50 -3.49 -0.12 -1.26 -5.05 117.98 105.41 3fg0 s PHE 451 Ca -0.01 0.39 0.21 0.00 -0.05 0.00 0.00 56.93 57.48 3fg0 s PHE 451 Cb -0.01 0.54 1.28 0.00 -0.63 0.00 0.00 43.02 44.19 3fg0 s PHE 451 CO -0.04 -0.76 2.00 0.00 -0.05 0.00 0.00 175.22 176.37 3fg0 h ALA 452 N 2.11 2.32 0.00 1.99 0.00 -1.92 -2.21 119.26 121.55 3fg0 h ALA 452 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fg0 h ALA 452 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fg0 h ALA 452 CO 0.37 -0.46 0.00 1.96 0.00 0.00 0.00 179.25 181.11 3fg0 h GLN 453 N 0.12 0.00 -5.43 0.00 7.50 -1.95 0.31 115.11 115.67 3fg0 h GLN 453 Ca 0.25 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.83 3fg0 h GLN 453 Cb 0.82 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.04 3fg0 h GLN 453 CO -0.03 0.00 -0.84 0.00 -1.50 0.00 0.00 178.83 176.46 3fg0 s ALA 454 N -3.58 1.57 0.46 3.87 0.00 -0.83 -4.48 121.76 118.77 3fg0 s ALA 454 Ca 0.02 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 3fg0 s ALA 454 Cb 0.09 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 3fg0 s ALA 454 CO 0.47 0.30 1.24 -1.25 0.00 0.00 0.00 175.76 176.52 3fg0 s PRO 455 N -0.05 3.70 -0.04 0.00 0.04 -1.26 -4.09 135.00 133.31 3fg0 s PRO 455 Ca -0.02 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.02 3fg0 s PRO 455 Cb -0.11 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.95 3fg0 s PRO 455 CO 0.02 -0.65 -0.14 -0.46 0.04 0.00 0.00 177.00 175.80 3fg0 s TRP 456 N -1.41 1.44 0.00 0.56 -0.11 0.12 -4.92 118.94 114.62 3fg0 s TRP 456 Ca 0.63 -0.40 0.00 0.00 1.22 0.00 0.00 56.10 57.55 3fg0 s TRP 456 Cb -0.33 -0.99 0.00 0.00 -1.50 0.00 0.00 33.47 30.65 3fg0 s TRP 456 CO 0.41 -0.14 0.00 0.41 -4.62 0.00 0.00 176.95 173.01 3fg0 n GLY 457 N 3.21 -0.16 3.50 5.86 0.00 -1.26 -1.11 105.19 115.23 3fg0 n GLY 457 Ca -0.18 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 3fg0 n GLY 457 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 458 N 0.00 1.70 0.66 -0.02 0.00 -1.26 -3.58 107.32 104.82 3fg0 s GLY 458 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 3fg0 s GLY 458 CO 0.00 -1.31 1.04 -0.19 0.00 0.00 0.00 173.10 172.65 3fg0 s TYR 459 N -1.14 3.40 0.00 1.90 4.12 0.76 -4.02 117.35 122.38 3fg0 s TYR 459 Ca 0.18 1.05 0.00 0.00 0.02 0.00 0.00 57.07 58.32 3fg0 s TYR 459 Cb -0.11 -2.91 0.00 0.00 -1.52 0.00 0.00 41.96 37.42 3fg0 s TYR 459 CO 0.10 -0.98 0.00 1.63 0.02 0.00 0.00 175.55 176.33 3fg0 n LYS 460 N -2.86 0.00 -0.04 -0.62 5.02 -1.26 -2.05 118.16 116.34 3fg0 n LYS 460 Ca 0.06 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.43 3fg0 n LYS 460 Cb 0.56 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.95 3fg0 n LYS 460 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fg0 n GLN 461 N 14.00 1.29 0.01 1.97 6.02 0.33 -3.25 117.38 137.75 3fg0 n GLN 461 Ca 0.00 -0.44 0.13 0.00 -0.01 0.00 0.00 57.00 56.69 3fg0 n GLN 461 Cb 0.00 -1.27 0.58 0.00 1.02 0.00 0.00 30.24 30.57 3fg0 n GLN 461 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3fg0 n SER 462 N -0.29 0.06 0.00 1.08 7.64 -0.87 -4.66 113.62 116.57 3fg0 n SER 462 Ca 0.12 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3fg0 n SER 462 Cb 0.15 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3fg0 n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fg0 n GLY 463 N 1.38 -1.22 2.83 0.23 0.00 -1.20 -0.62 105.19 106.59 3fg0 n GLY 463 Ca 0.07 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 3fg0 n GLY 463 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fg0 s ILE 464 N -2.57 0.29 0.00 -0.61 1.01 -0.31 -4.65 121.20 114.36 3fg0 s ILE 464 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3fg0 s ILE 464 Cb 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3fg0 s ILE 464 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3fg0 n GLY 465 N 4.21 -2.46 3.10 6.18 0.00 -1.26 -0.82 105.19 114.14 3fg0 n GLY 465 Ca -0.24 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 3fg0 n GLY 465 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg0 s ARG 466 N -0.46 0.65 0.20 1.61 1.81 -1.26 -4.39 118.95 117.11 3fg0 s ARG 466 Ca 0.00 -0.92 0.10 0.00 -1.72 0.00 0.00 55.73 53.19 3fg0 s ARG 466 Cb 0.00 -0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.10 3fg0 s ARG 466 CO 0.00 0.05 -0.17 -1.21 -0.68 0.00 0.00 175.30 173.30 3fg0 s GLU 467 N -2.13 1.79 0.24 3.54 2.02 -0.26 -4.18 118.70 119.71 3fg0 s GLU 467 Ca -0.04 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.50 3fg0 s GLU 467 Cb -0.07 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.19 3fg0 s GLU 467 CO -0.00 0.40 0.00 1.28 0.02 0.00 0.00 175.26 176.96 3fg0 n LEU 468 N 0.00 -0.41 0.00 1.80 4.77 -1.26 0.16 117.00 122.06 3fg0 n LEU 468 Ca -0.11 0.94 0.07 0.00 -0.03 0.00 0.00 56.01 56.88 3fg0 n LEU 468 Cb 0.56 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 3fg0 n LEU 468 CO 0.33 -1.02 -0.09 0.61 -1.33 0.00 0.00 177.39 175.89 3fg0 n GLY 469 N -3.07 -1.87 0.28 -0.72 0.00 0.11 -0.67 105.19 99.24 3fg0 n GLY 469 Ca -0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 3fg0 n GLY 469 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg0 h LYS 470 N 0.00 0.59 -0.58 1.61 1.57 -1.85 -2.29 116.57 115.62 3fg0 h LYS 470 Ca 0.01 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3fg0 h LYS 470 Cb 0.47 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3fg0 h LYS 470 CO 0.00 0.59 0.11 1.49 -0.57 0.00 0.00 179.45 181.07 3fg0 h GLU 471 N 0.57 0.93 -0.92 3.15 4.81 -1.96 -1.53 114.58 119.64 3fg0 h GLU 471 Ca 0.12 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3fg0 h GLU 471 Cb 0.31 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3fg0 h GLU 471 CO 0.01 0.86 0.53 0.78 -0.73 0.00 0.00 179.01 180.45 3fg0 h GLY 472 N 1.01 1.35 1.08 1.92 0.00 -0.34 -2.53 103.07 105.57 3fg0 h GLY 472 Ca 0.18 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3fg0 h GLY 472 CO 0.01 0.56 0.16 -2.00 0.00 0.00 0.00 176.54 175.27 3fg0 h LEU 473 N 1.27 1.08 -2.43 3.11 5.85 -1.04 -2.96 115.31 120.19 3fg0 h LEU 473 Ca 0.33 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3fg0 h LEU 473 Cb -0.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 3fg0 h LEU 473 CO -0.06 1.04 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.72 3fg0 h GLU 474 N 1.07 0.00 0.00 1.25 5.08 -0.86 -0.61 114.58 120.51 3fg0 h GLU 474 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3fg0 h GLU 474 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3fg0 h GLU 474 CO 0.00 0.03 -0.01 0.93 -1.00 0.00 0.00 179.01 178.96 3fg0 h GLU 475 N 0.00 0.00 -0.67 2.33 4.39 -1.35 -2.52 114.58 116.76 3fg0 h GLU 475 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3fg0 h GLU 475 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3fg0 h GLU 475 CO 0.00 0.01 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 3fg0 n TYR 476 N -4.16 1.15 -4.42 4.33 4.01 -0.24 -4.89 117.16 112.95 3fg0 n TYR 476 Ca -0.03 -0.51 -0.24 0.00 -0.16 0.00 0.00 57.90 56.97 3fg0 n TYR 476 Cb 0.09 -0.11 -0.11 0.00 -0.31 0.00 0.00 39.34 38.90 3fg0 n TYR 476 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fg0 s LEU 477 N -1.36 2.51 0.01 7.72 1.43 -0.95 -0.61 118.68 127.42 3fg0 s LEU 477 Ca 0.47 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3fg0 s LEU 477 Cb 0.27 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 3fg0 s LEU 477 CO 0.27 0.03 -0.08 0.54 0.23 0.00 0.00 176.35 177.34 3fg0 s VAL 478 N -2.21 0.64 -0.05 -1.59 0.11 0.59 -4.57 120.40 113.31 3fg0 s VAL 478 Ca 0.24 -0.52 -0.15 0.00 -2.93 0.00 0.00 61.98 58.61 3fg0 s VAL 478 Cb -0.06 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3fg0 s VAL 478 CO 0.11 0.06 0.41 -0.44 -3.33 0.00 0.00 175.10 171.90 3fg0 s SER 479 N -0.52 6.72 -0.13 3.54 0.01 -1.26 -0.95 113.70 121.11 3fg0 s SER 479 Ca 0.01 0.86 0.02 0.00 1.31 0.00 0.00 55.95 58.14 3fg0 s SER 479 Cb -0.05 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.95 3fg0 s SER 479 CO 0.00 0.22 -0.17 -0.75 0.41 0.00 0.00 173.24 172.95 3fg0 s LYS 480 N -0.45 2.49 -0.37 12.44 2.20 -0.34 -4.98 119.74 130.73 3fg0 s LYS 480 Ca 0.23 -0.65 -0.19 0.00 -0.36 0.00 0.00 55.97 54.99 3fg0 s LYS 480 Cb -0.16 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 34.06 3fg0 s LYS 480 CO 0.11 -0.09 0.58 -1.58 -0.36 0.00 0.00 175.35 174.02 3fg0 s HIS 481 N 1.04 3.15 -0.26 4.03 5.65 -1.26 -0.92 115.29 126.72 3fg0 s HIS 481 Ca -0.04 0.17 -0.08 0.00 0.25 0.00 0.00 55.06 55.36 3fg0 s HIS 481 Cb -0.15 -3.09 -0.02 0.00 -1.18 0.00 0.00 32.58 28.14 3fg0 s HIS 481 CO -0.04 -0.65 0.08 0.42 -0.65 0.00 0.00 174.74 173.91 3fg0 s ILE 482 N 2.58 4.32 -0.25 0.89 1.01 0.41 -4.97 121.20 125.20 3fg0 s ILE 482 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 3fg0 s ILE 482 Cb -0.15 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.29 3fg0 s ILE 482 CO 0.15 0.30 -0.06 -0.22 0.00 0.00 0.00 174.94 175.10 3fg0 s LEU 483 N 1.61 3.16 -0.21 2.97 1.98 -1.26 -1.65 118.68 125.27 3fg0 s LEU 483 Ca 0.06 -0.86 -0.07 0.00 -2.89 0.00 0.00 54.13 50.37 3fg0 s LEU 483 Cb -0.15 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 3fg0 s LEU 483 CO 0.04 -0.12 0.05 -0.89 -1.89 0.00 0.00 176.35 173.54 3fg0 s THR 484 N 1.32 4.44 -0.46 3.68 2.01 0.01 -4.95 115.64 121.69 3fg0 s THR 484 Ca 0.00 -0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.63 3fg0 s THR 484 Cb -0.16 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.35 3fg0 s THR 484 CO -0.05 0.41 0.79 0.21 -0.69 0.00 0.00 174.62 175.29 3fg0 s ASN 485 N 0.96 6.41 0.00 3.53 3.84 -1.26 -0.65 114.94 127.76 3fg0 s ASN 485 Ca 0.03 -0.13 0.29 0.00 0.21 0.00 0.00 52.86 53.26 3fg0 s ASN 485 Cb -0.14 -2.39 1.18 0.00 -0.55 0.00 0.00 41.25 39.35 3fg0 s ASN 485 CO 0.03 -0.93 1.82 0.35 -2.79 0.00 0.00 177.10 175.57 3fg0 n THR 486 N 6.14 0.00 -3.07 -5.21 -2.24 -0.38 -4.16 114.28 105.37 3fg0 n THR 486 Ca 0.02 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 3fg0 n THR 486 Cb 0.48 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3fg0 n THR 486 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fg0 n ASN 487 N -0.32 -0.57 -4.75 3.42 5.15 -1.24 -5.04 115.26 111.91 3fg0 n ASN 487 Ca 0.18 -2.93 -0.41 0.00 -0.60 0.00 0.00 54.58 50.83 3fg0 n ASN 487 Cb 0.30 0.06 -0.04 0.00 -0.53 0.00 0.00 39.78 39.57 3fg0 n ASN 487 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fg0 s PRO 488 N -0.85 4.55 0.05 1.20 0.04 -1.26 -5.02 135.00 133.71 3fg0 s PRO 488 Ca 0.34 1.85 0.07 0.00 0.04 0.00 0.00 61.00 63.31 3fg0 s PRO 488 Cb 0.21 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3fg0 s PRO 488 CO -0.13 0.03 -0.21 -0.65 0.04 0.00 0.00 177.00 176.08 3fg0 s GLN 489 N -0.76 1.35 0.36 4.56 -1.52 -1.26 -5.12 119.66 117.26 3fg0 s GLN 489 Ca 0.49 -0.96 -0.28 0.00 -1.95 0.00 0.00 55.36 52.66 3fg0 s GLN 489 Cb -0.32 -1.47 -0.11 0.00 -0.22 0.00 0.00 33.01 30.88 3fg0 s GLN 489 CO 0.39 0.37 1.48 1.28 -0.25 0.00 0.00 175.29 178.56 3fg0 n LEU 490 N 1.76 4.58 0.09 2.90 4.32 -1.26 -4.91 117.00 124.48 3fg0 n LEU 490 Ca -0.17 1.22 -0.16 0.00 -0.02 0.00 0.00 56.01 56.88 3fg0 n LEU 490 Cb 0.53 -1.60 -0.14 0.00 -1.62 0.00 0.00 43.42 40.59 3fg0 n LEU 490 CO 0.23 0.08 -0.10 0.58 -1.22 0.00 0.00 177.39 176.96 3fg0 h VAL 491 N 2.95 1.44 -6.29 4.08 2.07 -2.01 -3.48 116.25 115.00 3fg0 h VAL 491 Ca -0.50 -3.03 -0.47 0.00 0.82 0.00 0.00 66.70 63.52 3fg0 h VAL 491 Cb 1.25 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.89 3fg0 h VAL 491 CO 0.66 0.88 -0.76 0.59 0.02 0.00 0.00 177.57 178.96 3fg0 n ASN 492 N -3.50 -4.87 -0.04 0.57 3.02 -1.26 -4.91 115.26 104.26 3fg0 n ASN 492 Ca -0.10 -0.77 -0.15 0.00 -0.03 0.00 0.00 54.58 53.53 3fg0 n ASN 492 Cb 1.02 -3.91 -0.08 0.00 -0.61 0.00 0.00 39.78 36.21 3fg0 n ASN 492 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3fg0 h TRP 493 N -2.11 0.73 -3.24 3.10 2.91 -2.03 -3.45 115.95 111.86 3fg0 h TRP 493 Ca -0.58 -0.29 -0.58 0.00 1.13 0.00 0.00 58.89 58.56 3fg0 h TRP 493 Cb 1.38 -0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 29.84 3fg0 h TRP 493 CO 0.57 1.06 -0.13 -0.06 -1.03 0.00 0.00 178.44 178.85 3fg0 s PHE 494 N -3.84 3.61 0.54 2.65 0.08 -1.26 -5.04 117.98 114.72 3fg0 s PHE 494 Ca -0.13 0.99 -0.20 0.00 0.12 0.00 0.00 56.93 57.72 3fg0 s PHE 494 Cb 0.06 -2.49 -0.08 0.00 -0.57 0.00 0.00 43.02 39.94 3fg0 s PHE 494 CO 0.83 0.35 0.76 0.43 -0.10 0.00 0.00 175.22 177.48 3fg0 n SER 495 N 2.92 0.00 -0.07 1.36 7.64 -1.26 -5.15 113.62 119.05 3fg0 n SER 495 Ca -0.09 0.83 0.01 0.00 1.01 0.00 0.00 58.87 60.63 3fg0 n SER 495 Cb 0.52 -1.27 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 3fg0 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32