#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg0 h GLN -3 N 0.00 0.49 -0.62 -1.08 4.15 -1.99 -0.14 115.11 115.93 3fg0 h GLN -3 Ca 0.00 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 3fg0 h GLN -3 Cb 0.00 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3fg0 h GLN -3 CO 0.00 0.72 0.26 0.66 -1.93 0.00 0.00 178.83 178.54 3fg0 h SER -2 N 0.23 0.81 -0.55 -0.69 4.64 -2.03 0.21 113.55 116.18 3fg0 h SER -2 Ca 0.06 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3fg0 h SER -2 Cb 0.55 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3fg0 h SER -2 CO 0.03 0.72 0.09 0.78 -0.87 0.00 0.00 176.83 177.58 3fg0 h ASN -1 N 0.88 0.91 -0.52 4.97 4.21 -1.96 -1.63 115.58 122.43 3fg0 h ASN -1 Ca 0.21 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 3fg0 h ASN -1 Cb 0.16 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 3fg0 h ASN -1 CO -0.02 0.91 0.28 0.00 -1.29 0.00 0.00 177.43 177.31 3fg0 h ALA 0 N 1.19 0.67 -0.52 -0.83 0.00 -0.11 -2.49 119.26 117.17 3fg0 h ALA 0 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 0 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fg0 h ALA 0 CO 0.01 0.20 0.16 0.52 0.00 0.00 0.00 179.25 180.14 3fg0 h MET 1 N 0.70 0.78 -0.33 0.00 2.86 -0.69 -1.88 114.93 116.36 3fg0 h MET 1 Ca 0.18 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3fg0 h MET 1 Cb 0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3fg0 h MET 1 CO -0.03 0.67 0.17 0.93 1.06 0.00 0.00 176.91 179.72 3fg0 h GLU 2 N 0.76 0.45 -0.45 1.72 4.39 -0.88 -2.24 114.58 118.33 3fg0 h GLU 2 Ca 0.17 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3fg0 h GLU 2 Cb 0.22 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3fg0 h GLU 2 CO -0.01 0.34 0.26 -0.07 -1.16 0.00 0.00 179.01 178.37 3fg0 h LEU 3 N 0.46 0.54 -1.95 1.33 3.38 -0.93 -2.26 115.31 115.87 3fg0 h LEU 3 Ca 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3fg0 h LEU 3 Cb 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3fg0 h LEU 3 CO -0.02 0.43 -0.11 -0.07 0.09 0.00 0.00 178.44 178.76 3fg0 h LEU 4 N 0.62 0.00 -1.80 1.67 3.38 -1.40 -1.98 115.31 115.81 3fg0 h LEU 4 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3fg0 h LEU 4 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fg0 h LEU 4 CO -0.03 0.11 -0.14 0.11 0.09 0.00 0.00 178.44 178.58 3fg0 h LYS 5 N 0.00 0.00 -0.01 1.13 1.57 -1.47 -2.75 116.57 115.05 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3fg0 h LYS 5 CO 0.01 0.14 -0.48 0.72 -0.57 0.00 0.00 179.45 179.28 3fg0 n HIS 6 N -4.12 0.00 -3.01 -1.35 8.25 -0.75 -4.97 115.22 109.27 3fg0 n HIS 6 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 3fg0 n HIS 6 Cb 0.22 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.61 4.55 0.61 2.41 2.96 -1.04 -5.02 118.68 120.54 3fg0 s LEU 7 Ca 0.18 1.56 -0.19 0.00 -0.22 0.00 0.00 54.13 55.46 3fg0 s LEU 7 Cb 0.18 -3.24 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 3fg0 s LEU 7 CO 0.61 0.17 1.28 -0.55 -1.32 0.00 0.00 176.35 176.54 3fg0 s SER 8 N -0.89 4.93 0.00 3.68 0.15 -1.26 -4.93 113.70 115.38 3fg0 s SER 8 Ca 0.36 2.58 0.14 0.00 0.70 0.00 0.00 55.95 59.73 3fg0 s SER 8 Cb -0.22 -2.62 0.22 0.00 -1.71 0.00 0.00 66.02 61.69 3fg0 s SER 8 CO 0.25 -1.78 1.10 0.00 1.20 0.00 0.00 173.24 174.01 3fg0 n GLN 9 N -1.61 1.70 -3.90 5.44 6.02 -1.26 -5.00 117.38 118.77 3fg0 n GLN 9 Ca 0.14 -1.69 -0.23 0.00 -0.01 0.00 0.00 57.00 55.21 3fg0 n GLN 9 Cb 0.48 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.14 2.40 0.69 -1.09 0.52 -1.26 -0.79 118.95 118.28 3fg0 s ARG 10 Ca 0.22 -1.63 -0.11 0.00 -0.52 0.00 0.00 55.73 53.69 3fg0 s ARG 10 Cb 0.14 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.42 3fg0 s ARG 10 CO 0.19 -0.08 1.07 -0.65 0.02 0.00 0.00 175.30 175.85 3fg0 s GLN 11 N -3.98 2.83 -0.27 3.54 -0.21 -0.12 -4.82 119.66 116.62 3fg0 s GLN 11 Ca 0.43 0.38 0.01 0.00 0.02 0.00 0.00 55.36 56.20 3fg0 s GLN 11 Cb -0.01 -2.05 0.08 0.00 1.00 0.00 0.00 33.01 32.03 3fg0 s GLN 11 CO 0.25 -1.01 0.02 -0.47 -2.12 0.00 0.00 175.29 171.95 3fg0 s TYR 12 N -3.32 2.40 -0.09 0.91 5.04 -0.39 -0.24 117.35 121.67 3fg0 s TYR 12 Ca 0.58 -1.95 0.01 0.00 -2.44 0.00 0.00 57.07 53.27 3fg0 s TYR 12 Cb -0.11 -1.86 0.02 0.00 0.35 0.00 0.00 41.96 40.37 3fg0 s TYR 12 CO 0.51 -0.83 -0.08 0.42 -1.34 0.00 0.00 175.55 174.23 3fg0 s ILE 13 N 1.39 0.95 -1.31 3.14 1.01 0.23 0.03 121.20 126.64 3fg0 s ILE 13 Ca 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 3fg0 s ILE 13 Cb -0.18 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 3fg0 s ILE 13 CO -0.12 0.34 0.61 -0.67 0.00 0.00 0.00 174.94 175.09 3fg0 n ASP 14 N 4.47 -1.61 0.00 3.58 2.03 -1.26 -1.49 116.55 122.27 3fg0 n ASP 14 Ca -0.17 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3fg0 n ASP 14 Cb 0.51 -3.58 0.00 0.00 -0.72 0.00 0.00 41.12 37.33 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 -1.75 0.48 3.13 0.27 0.00 -1.26 -4.62 105.19 101.44 3fg0 n GLY 15 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.42 0.88 -0.18 1.61 2.02 -0.56 -5.06 118.70 117.00 3fg0 s GLU 16 Ca 0.00 -0.71 -0.25 0.00 0.02 0.00 0.00 54.97 54.03 3fg0 s GLU 16 Cb 0.00 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 3fg0 s GLU 16 CO 0.00 0.22 0.82 -1.58 0.02 0.00 0.00 175.26 174.74 3fg0 s TRP 17 N -0.82 3.40 0.03 1.61 0.52 -1.26 -0.60 118.94 121.81 3fg0 s TRP 17 Ca 0.01 1.22 0.00 0.00 0.02 0.00 0.00 56.10 57.35 3fg0 s TRP 17 Cb -0.08 -3.01 -0.02 0.00 -1.15 0.00 0.00 33.47 29.21 3fg0 s TRP 17 CO 0.01 -0.26 -0.03 0.14 0.02 0.00 0.00 176.95 176.82 3fg0 s VAL 18 N 2.24 0.17 0.99 4.03 -7.23 0.67 -4.94 120.40 116.32 3fg0 s VAL 18 Ca 0.37 -1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 59.36 3fg0 s VAL 18 Cb -0.16 -0.44 0.19 0.00 0.56 0.00 0.00 36.38 36.54 3fg0 s VAL 18 CO 0.11 -0.55 1.23 -1.61 -0.31 0.00 0.00 175.10 173.98 3fg0 s GLU 19 N -1.75 0.48 0.55 4.82 2.02 -1.26 -0.94 118.70 122.62 3fg0 s GLU 19 Ca -0.13 -0.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.50 3fg0 s GLU 19 Cb -0.08 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.30 3fg0 s GLU 19 CO -0.02 -2.56 1.24 0.45 0.02 0.00 0.00 175.26 174.39 3fg0 s SER 20 N -4.50 5.42 0.47 -0.19 0.15 -1.26 -4.81 113.70 108.98 3fg0 s SER 20 Ca 0.70 2.47 0.18 0.00 0.70 0.00 0.00 55.95 60.01 3fg0 s SER 20 Cb -0.08 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.79 3fg0 s SER 20 CO 0.53 -1.44 1.97 0.00 1.20 0.00 0.00 173.24 175.50 3fg0 h ALA 21 N 1.29 2.22 -0.61 5.45 0.00 -1.95 -0.69 119.26 124.96 3fg0 h ALA 21 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fg0 h ALA 21 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg0 h ALA 21 CO 0.57 -0.38 0.00 0.27 0.00 0.00 0.00 179.25 179.71 3fg0 n ASN 22 N -4.44 3.63 -0.66 0.00 0.23 -1.26 -4.96 115.26 107.79 3fg0 n ASN 22 Ca 0.11 -2.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.07 3fg0 n ASN 22 Cb 0.50 -0.41 -0.04 0.00 -2.08 0.00 0.00 39.78 37.75 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 1.28 -1.78 -1.67 -3.83 4.76 -0.27 -4.97 118.16 111.69 3fg0 n LYS 23 Ca 0.20 0.80 -0.34 0.00 -2.87 0.00 0.00 58.31 56.11 3fg0 n LYS 23 Cb 0.56 -5.26 0.06 0.00 -1.84 0.00 0.00 35.03 28.56 3fg0 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3fg0 s ASN 24 N -2.32 4.77 0.16 4.39 2.47 -1.26 -4.90 114.94 118.26 3fg0 s ASN 24 Ca 0.00 2.17 -0.01 0.00 0.42 0.00 0.00 52.86 55.45 3fg0 s ASN 24 Cb 0.00 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 3fg0 s ASN 24 CO 0.00 -1.86 0.08 0.42 -3.72 0.00 0.00 177.10 172.02 3fg0 s THR 25 N -2.12 0.13 -0.01 -5.21 -4.23 -1.26 -1.46 115.64 101.47 3fg0 s THR 25 Ca 0.71 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3fg0 s THR 25 Cb -0.25 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3fg0 s THR 25 CO 0.42 -0.29 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.55 3fg0 s ARG 26 N -4.07 0.49 -0.07 3.99 3.52 0.74 -4.71 118.95 118.83 3fg0 s ARG 26 Ca 0.30 -0.16 -0.20 0.00 -0.13 0.00 0.00 55.73 55.53 3fg0 s ARG 26 Cb 0.07 -0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 3fg0 s ARG 26 CO 0.06 0.07 0.57 -0.51 -0.81 0.00 0.00 175.30 174.67 3fg0 s ASP 27 N 0.11 6.85 -0.12 -2.12 1.01 -1.26 -0.96 116.67 120.18 3fg0 s ASP 27 Ca -0.01 1.01 -0.07 0.00 0.71 0.00 0.00 52.55 54.19 3fg0 s ASP 27 Cb -0.05 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3fg0 s ASP 27 CO -0.00 0.01 0.13 -0.63 0.21 0.00 0.00 175.17 174.88 3fg0 s ILE 28 N 0.41 5.41 0.28 0.77 -1.09 0.69 -5.00 121.20 122.66 3fg0 s ILE 28 Ca 0.30 0.17 0.11 0.00 -2.23 0.00 0.00 60.65 59.01 3fg0 s ILE 28 Cb -0.17 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3fg0 s ILE 28 CO 0.14 0.61 -0.14 0.27 -1.23 0.00 0.00 174.94 174.59 3fg0 s ILE 29 N -0.95 2.76 -0.30 2.92 -4.36 -1.26 -0.16 121.20 119.85 3fg0 s ILE 29 Ca 0.15 -2.26 -0.12 0.00 -0.26 0.00 0.00 60.65 58.15 3fg0 s ILE 29 Cb -0.12 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 3fg0 s ILE 29 CO 0.04 -0.39 0.25 0.21 0.24 0.00 0.00 174.94 175.28 3fg0 s ASN 30 N -3.56 6.08 0.30 4.36 3.84 -0.53 -4.76 114.94 120.67 3fg0 s ASN 30 Ca 0.30 -0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.55 3fg0 s ASN 30 Cb -0.05 -2.15 1.06 0.00 -0.55 0.00 0.00 41.25 39.57 3fg0 s ASN 30 CO 0.16 -0.14 1.73 1.55 -2.79 0.00 0.00 177.10 177.62 3fg0 h PRO 31 N 8.37 0.00 -0.41 0.43 0.13 -1.80 0.31 132.00 139.03 3fg0 h PRO 31 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 3fg0 h PRO 31 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3fg0 h PRO 31 CO 0.60 0.00 -0.00 -0.92 -0.23 0.00 0.00 178.00 177.45 3fg0 h TYR 32 N 0.00 0.69 0.00 1.56 3.20 -1.90 -1.68 116.97 118.84 3fg0 h TYR 32 Ca 0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3fg0 h TYR 32 Cb 0.31 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3fg0 h TYR 32 CO 0.00 0.66 0.00 0.27 -1.64 0.00 0.00 178.16 177.45 3fg0 n ASN 33 N -4.24 0.37 -1.83 -2.11 0.23 -1.04 -2.58 115.26 104.05 3fg0 n ASN 33 Ca 0.02 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.58 52.88 3fg0 n ASN 33 Cb 0.27 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.92 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 -0.00 -1.47 -3.33 -3.83 6.02 0.11 -4.66 117.38 110.21 3fg0 n GLN 34 Ca 0.00 1.10 -0.34 0.00 -0.01 0.00 0.00 57.00 57.75 3fg0 n GLN 34 Cb 0.16 -5.55 -0.06 0.00 1.02 0.00 0.00 30.24 25.81 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 -4.23 3.96 0.04 -1.09 0.41 -1.24 -4.81 118.70 111.74 3fg0 s GLU 35 Ca 0.00 0.49 -0.31 0.00 -0.41 0.00 0.00 54.97 54.74 3fg0 s GLU 35 Cb 0.00 -2.83 -0.06 0.00 -1.78 0.00 0.00 34.13 29.46 3fg0 s GLU 35 CO 0.00 0.41 1.38 0.08 -0.49 0.00 0.00 175.26 176.64 3fg0 s VAL 36 N -1.59 3.60 -0.08 2.63 1.01 -1.26 -1.45 120.40 123.27 3fg0 s VAL 36 Ca 0.42 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.51 3fg0 s VAL 36 Cb -0.14 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3fg0 s VAL 36 CO 0.20 0.03 0.13 2.30 0.00 0.00 0.00 175.10 177.76 3fg0 n ILE 37 N 4.37 0.00 -3.46 2.22 -5.35 0.78 -4.93 119.36 112.99 3fg0 n ILE 37 Ca 0.12 -0.20 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 3fg0 n ILE 37 Cb 0.43 0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 38.90 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 -2.03 -0.54 -0.09 4.28 5.36 -1.17 -5.01 117.98 118.79 3fg0 s PHE 38 Ca -0.01 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 3fg0 s PHE 38 Cb 0.03 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.26 3fg0 s PHE 38 CO 0.19 -0.75 -0.08 0.99 -1.46 0.00 0.00 175.22 174.12 3fg0 s THR 39 N -3.07 0.96 0.25 0.12 2.01 -1.26 -0.22 115.64 114.43 3fg0 s THR 39 Ca -0.01 -0.30 0.10 0.00 0.31 0.00 0.00 61.69 61.79 3fg0 s THR 39 Cb -0.01 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 3fg0 s THR 39 CO -0.07 0.34 -0.16 0.68 -0.69 0.00 0.00 174.62 174.72 3fg0 s VAL 40 N 1.32 2.07 0.43 3.82 -7.23 -0.13 -4.80 120.40 115.88 3fg0 s VAL 40 Ca -0.03 -2.29 -0.26 0.00 -1.81 0.00 0.00 61.98 57.60 3fg0 s VAL 40 Cb -0.14 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.50 3fg0 s VAL 40 CO -0.03 -0.46 1.38 -0.44 -0.31 0.00 0.00 175.10 175.23 3fg0 s SER 41 N -3.43 6.07 -0.40 4.85 0.01 0.03 -0.19 113.70 120.64 3fg0 s SER 41 Ca 0.27 2.82 0.01 0.00 1.31 0.00 0.00 55.95 60.36 3fg0 s SER 41 Cb -0.02 -2.65 0.11 0.00 0.21 0.00 0.00 66.02 63.67 3fg0 s SER 41 CO 0.11 -1.03 0.15 -0.70 0.41 0.00 0.00 173.24 172.18 3fg0 s GLU 42 N -2.35 1.79 0.91 12.44 2.56 -0.54 -4.58 118.70 128.93 3fg0 s GLU 42 Ca 0.59 -1.99 -0.11 0.00 0.00 0.00 0.00 54.97 53.46 3fg0 s GLU 42 Cb -0.42 -3.39 0.14 0.00 2.00 0.00 0.00 34.13 32.46 3fg0 s GLU 42 CO 0.54 -1.02 1.09 0.20 -0.56 0.00 0.00 175.26 175.51 3fg0 s GLY 43 N 1.08 1.62 0.35 -1.50 0.00 0.14 -4.40 107.32 104.61 3fg0 s GLY 43 Ca 0.11 0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.94 3fg0 s GLY 43 CO -0.06 0.52 0.21 -0.51 0.00 0.00 0.00 173.10 173.26 3fg0 s THR 44 N -2.86 3.10 0.34 0.90 -4.23 -1.26 -4.76 115.64 106.87 3fg0 s THR 44 Ca 0.64 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.66 3fg0 s THR 44 Cb -0.19 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 70.93 3fg0 s THR 44 CO 0.58 -0.16 1.84 0.50 -0.54 0.00 0.00 174.62 176.85 3fg0 h LYS 45 N 1.42 0.69 -0.07 3.99 3.64 -1.94 -1.63 116.57 122.67 3fg0 h LYS 45 Ca -0.44 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 3fg0 h LYS 45 Cb 1.25 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3fg0 h LYS 45 CO 0.62 0.46 -0.53 0.93 -2.27 0.00 0.00 179.45 178.66 3fg0 h GLU 46 N 0.71 0.19 -0.21 1.90 3.07 -1.95 -0.35 114.58 117.95 3fg0 h GLU 46 Ca 0.48 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 3fg0 h GLU 46 Cb 0.79 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 3fg0 h GLU 46 CO -0.24 0.67 0.10 -0.44 -1.40 0.00 0.00 179.01 177.70 3fg0 h ASP 47 N 0.15 0.27 -0.81 1.42 3.32 -1.72 -0.33 116.42 118.72 3fg0 h ASP 47 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fg0 h ASP 47 Cb 0.98 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 3fg0 h ASP 47 CO 0.08 0.31 0.46 0.00 -1.72 0.00 0.00 179.24 178.37 3fg0 h ALA 48 N 0.97 1.04 -0.23 3.45 0.00 -1.01 -1.39 119.26 122.08 3fg0 h ALA 48 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3fg0 h ALA 48 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3fg0 h ALA 48 CO -0.01 0.53 0.11 1.49 0.00 0.00 0.00 179.25 181.37 3fg0 h GLU 49 N 1.12 0.23 -0.93 0.00 4.81 -0.86 -1.71 114.58 117.23 3fg0 h GLU 49 Ca 0.29 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3fg0 h GLU 49 Cb 0.00 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3fg0 h GLU 49 CO -0.05 0.15 0.55 -0.09 -0.73 0.00 0.00 179.01 178.84 3fg0 h ARG 50 N 0.24 1.27 -0.59 1.92 2.43 -0.63 -0.44 114.38 118.58 3fg0 h ARG 50 Ca 0.09 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3fg0 h ARG 50 Cb 0.03 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3fg0 h ARG 50 CO -0.07 0.90 0.25 0.00 -1.51 0.00 0.00 179.97 179.55 3fg0 h ALA 51 N 1.30 0.76 -0.40 2.80 0.00 -0.93 -0.17 119.26 122.63 3fg0 h ALA 51 Ca 0.33 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3fg0 h ALA 51 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3fg0 h ALA 51 CO -0.06 0.36 0.07 0.82 0.00 0.00 0.00 179.25 180.44 3fg0 h ILE 52 N 0.81 1.24 -0.25 0.00 2.04 -0.89 0.39 117.51 120.85 3fg0 h ILE 52 Ca 0.20 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3fg0 h ILE 52 Cb 0.17 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3fg0 h ILE 52 CO -0.02 0.30 -0.16 -0.07 0.00 0.00 0.00 178.15 178.19 3fg0 h LEU 53 N 0.52 0.43 -0.61 1.44 3.38 -0.90 -1.06 115.31 118.51 3fg0 h LEU 53 Ca 0.12 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3fg0 h LEU 53 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fg0 h LEU 53 CO 0.01 0.62 -0.27 0.00 0.09 0.00 0.00 178.44 178.88 3fg0 h ALA 54 N 1.43 0.79 -0.51 1.53 0.00 -0.76 -1.31 119.26 120.43 3fg0 h ALA 54 Ca 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3fg0 h ALA 54 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3fg0 h ALA 54 CO 0.03 0.65 0.19 0.00 0.00 0.00 0.00 179.25 180.12 3fg0 h ALA 55 N 1.00 0.67 -0.18 0.00 0.00 -0.51 -0.79 119.26 119.45 3fg0 h ALA 55 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fg0 h ALA 55 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3fg0 h ALA 55 CO 0.07 0.30 0.11 -0.09 0.00 0.00 0.00 179.25 179.64 3fg0 h ARG 56 N 0.69 0.25 -0.39 0.00 9.65 -1.08 0.24 114.38 123.75 3fg0 h ARG 56 Ca 0.17 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.06 3fg0 h ARG 56 Cb 0.23 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 3fg0 h ARG 56 CO -0.01 0.21 0.19 -0.09 2.80 0.00 0.00 179.97 183.07 3fg0 h ARG 57 N 0.22 0.38 -0.57 0.20 2.43 -1.04 -0.15 114.38 115.84 3fg0 h ARG 57 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3fg0 h ARG 57 Cb 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3fg0 h ARG 57 CO -0.01 0.25 0.28 0.00 -1.51 0.00 0.00 179.97 178.98 3fg0 h ALA 58 N 1.21 0.74 -0.11 2.80 0.00 -1.01 -0.68 119.26 122.20 3fg0 h ALA 58 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fg0 h ALA 58 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3fg0 h ALA 58 CO -0.12 0.30 0.04 0.35 0.00 0.00 0.00 179.25 179.82 3fg0 h PHE 59 N 0.78 0.08 -0.06 0.00 3.57 -0.33 -2.59 116.94 118.39 3fg0 h PHE 59 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3fg0 h PHE 59 Cb 0.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3fg0 h PHE 59 CO -0.00 0.04 -0.29 0.93 -2.23 0.00 0.00 178.31 176.76 3fg0 h GLU 60 N 0.10 0.11 -0.52 1.11 4.39 -0.81 -2.35 114.58 116.60 3fg0 h GLU 60 Ca 0.04 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3fg0 h GLU 60 Cb 0.02 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3fg0 h GLU 60 CO -0.04 0.40 0.32 0.66 -1.16 0.00 0.00 179.01 179.19 3fg0 h SER 61 N 0.10 0.61 0.00 1.42 4.64 -0.76 -3.47 113.55 116.08 3fg0 h SER 61 Ca 0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fg0 h SER 61 Cb 0.57 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3fg0 h SER 61 CO 0.04 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 3fg0 n GLY 62 N -1.40 0.83 0.29 -0.77 0.00 -0.88 -4.93 105.19 98.34 3fg0 n GLY 62 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3fg0 n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fg0 h GLU 63 N 3.30 0.36 0.00 1.61 4.81 -1.85 0.24 114.58 123.05 3fg0 h GLU 63 Ca 0.00 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.88 3fg0 h GLU 63 Cb 0.00 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 3fg0 h GLU 63 CO 0.00 0.24 -2.21 1.87 -0.73 0.00 0.00 179.01 178.19 3fg0 n TRP 64 N -4.49 0.00 0.20 0.92 -0.00 -1.26 -4.01 117.44 108.80 3fg0 n TRP 64 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.57 3fg0 n TRP 64 Cb 0.08 -0.81 0.44 0.00 -0.00 0.00 0.00 31.31 31.02 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 -0.11 0.00 -0.48 5.87 4.64 -1.61 -2.40 113.55 119.47 3fg0 h SER 65 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fg0 h SER 65 Cb 1.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 3fg0 h SER 65 CO -0.11 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.16 3fg0 n GLN 66 N -3.87 2.64 -1.45 4.77 1.13 0.07 -4.89 117.38 115.77 3fg0 n GLN 66 Ca -0.01 -2.25 -0.32 0.00 -1.94 0.00 0.00 57.00 52.47 3fg0 n GLN 66 Cb 0.39 -1.41 0.08 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.05 2.41 0.48 -1.09 2.56 -0.90 -4.98 118.70 116.13 3fg0 s GLU 67 Ca 0.34 1.33 -0.22 0.00 0.00 0.00 0.00 54.97 56.42 3fg0 s GLU 67 Cb 0.18 -1.91 -0.07 0.00 2.00 0.00 0.00 34.13 34.34 3fg0 s GLU 67 CO 0.24 -1.55 1.19 0.95 -0.56 0.00 0.00 175.26 175.53 3fg0 s THR 68 N -2.58 2.96 0.29 -1.70 -4.23 -1.26 -4.89 115.64 104.24 3fg0 s THR 68 Ca 0.65 0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 61.84 3fg0 s THR 68 Cb -0.20 -3.35 0.25 0.00 1.34 0.00 0.00 72.50 70.54 3fg0 s THR 68 CO 0.49 -0.03 1.95 0.00 -0.54 0.00 0.00 174.62 176.49 3fg0 h ALA 69 N 1.84 1.38 -0.28 3.99 0.00 -1.92 -1.49 119.26 122.79 3fg0 h ALA 69 Ca -0.50 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.37 3fg0 h ALA 69 Cb 1.26 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3fg0 h ALA 69 CO 0.59 0.56 0.06 1.49 0.00 0.00 0.00 179.25 181.95 3fg0 h GLU 70 N 1.10 0.17 -0.63 0.00 4.81 -1.91 -0.55 114.58 117.57 3fg0 h GLU 70 Ca 0.29 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3fg0 h GLU 70 Cb -0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3fg0 h GLU 70 CO -0.06 0.11 0.19 1.15 -0.73 0.00 0.00 179.01 179.67 3fg0 h THR 71 N 0.17 1.24 -0.75 0.32 2.02 -1.85 -1.87 112.91 112.19 3fg0 h THR 71 Ca 0.13 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3fg0 h THR 71 Cb 0.12 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3fg0 h THR 71 CO -0.16 0.32 0.41 0.03 0.37 0.00 0.00 175.52 176.50 3fg0 h ARG 72 N 0.93 1.04 -0.57 6.66 3.08 -0.87 -2.21 114.38 122.44 3fg0 h ARG 72 Ca 0.21 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3fg0 h ARG 72 Cb 0.28 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3fg0 h ARG 72 CO -0.01 0.77 0.33 0.78 -1.07 0.00 0.00 179.97 180.78 3fg0 h GLY 73 N 1.03 0.82 0.79 0.04 0.00 -0.63 -1.43 103.07 103.69 3fg0 h GLY 73 Ca 0.26 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.40 3fg0 h GLY 73 CO -0.04 0.19 0.58 0.50 0.00 0.00 0.00 176.54 177.77 3fg0 h LYS 74 N 0.65 1.05 -0.46 4.80 1.57 -0.93 -0.19 116.57 123.06 3fg0 h LYS 74 Ca 0.24 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 3fg0 h LYS 74 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3fg0 h LYS 74 CO -0.12 0.69 -0.24 0.87 -0.57 0.00 0.00 179.45 180.08 3fg0 h LYS 75 N 1.08 0.97 -0.57 3.15 1.79 -0.89 -0.36 116.57 121.74 3fg0 h LYS 75 Ca 0.38 -0.43 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 3fg0 h LYS 75 Cb 0.10 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3fg0 h LYS 75 CO -0.15 1.10 0.06 0.28 -1.08 0.00 0.00 179.45 179.66 3fg0 h VAL 76 N 0.82 1.25 -0.70 0.50 2.07 -0.90 -1.71 116.25 117.58 3fg0 h VAL 76 Ca 0.10 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3fg0 h VAL 76 Cb 0.82 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3fg0 h VAL 76 CO 0.07 0.36 0.25 -0.09 0.02 0.00 0.00 177.57 178.18 3fg0 h ARG 77 N 0.87 1.06 -0.80 1.57 2.43 -0.80 -1.24 114.38 117.47 3fg0 h ARG 77 Ca 0.17 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fg0 h ARG 77 Cb 0.42 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3fg0 h ARG 77 CO 0.01 0.88 0.50 0.00 -1.51 0.00 0.00 179.97 179.86 3fg0 h ALA 78 N 1.24 1.38 -0.25 2.80 0.00 -0.23 -0.76 119.26 123.44 3fg0 h ALA 78 Ca 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3fg0 h ALA 78 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fg0 h ALA 78 CO -0.01 0.55 0.03 0.82 0.00 0.00 0.00 179.25 180.64 3fg0 h ILE 79 N 1.10 1.24 -0.64 0.00 2.04 -0.70 -1.89 117.51 118.66 3fg0 h ILE 79 Ca 0.29 -0.81 0.13 0.00 1.00 0.00 0.00 64.86 65.47 3fg0 h ILE 79 Cb -0.08 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 3fg0 h ILE 79 CO -0.06 0.25 0.11 0.00 0.00 0.00 0.00 178.15 178.45 3fg0 h ALA 80 N 0.84 0.74 -0.62 1.87 0.00 -0.61 -1.11 119.26 120.37 3fg0 h ALA 80 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3fg0 h ALA 80 Cb 0.35 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3fg0 h ALA 80 CO 0.01 -0.34 0.21 -0.44 0.00 0.00 0.00 179.25 178.69 3fg0 h ASP 81 N 0.22 0.85 -0.93 0.00 3.32 -0.93 -2.52 116.42 116.44 3fg0 h ASP 81 Ca 0.34 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3fg0 h ASP 81 Cb 0.54 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 3fg0 h ASP 81 CO -0.46 0.79 0.59 0.11 -1.72 0.00 0.00 179.24 178.54 3fg0 h LYS 82 N 0.90 1.25 -0.41 3.56 1.79 -0.42 -0.94 116.57 122.30 3fg0 h LYS 82 Ca 0.21 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 3fg0 h LYS 82 Cb 0.23 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3fg0 h LYS 82 CO -0.01 0.85 0.17 0.82 -1.08 0.00 0.00 179.45 180.20 3fg0 h ILE 83 N 1.28 1.19 -0.41 1.86 1.08 -0.90 -1.55 117.51 120.06 3fg0 h ILE 83 Ca 0.34 -0.58 -0.07 0.00 -0.39 0.00 0.00 64.86 64.15 3fg0 h ILE 83 Cb -0.10 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3fg0 h ILE 83 CO -0.07 0.21 -0.03 0.50 -0.69 0.00 0.00 178.15 178.08 3fg0 h LYS 84 N 0.52 0.74 -0.91 2.37 3.64 -1.24 -1.20 116.57 120.50 3fg0 h LYS 84 Ca 0.14 -0.25 0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3fg0 h LYS 84 Cb 0.17 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 3fg0 h LYS 84 CO -0.01 0.84 0.53 1.49 -2.27 0.00 0.00 179.45 180.03 3fg0 h GLU 85 N 0.57 0.81 -0.54 1.90 4.81 -0.94 -2.69 114.58 118.49 3fg0 h GLU 85 Ca 0.11 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 3fg0 h GLU 85 Cb 0.52 -0.18 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 3fg0 h GLU 85 CO 0.03 0.54 0.14 0.72 -0.73 0.00 0.00 179.01 179.70 3fg0 n HIS 86 N -4.72 1.82 -0.20 0.92 8.25 -0.60 -4.73 115.22 115.96 3fg0 n HIS 86 Ca 0.17 -1.18 -0.00 0.00 -0.26 0.00 0.00 57.72 56.45 3fg0 n HIS 86 Cb 0.35 -0.55 0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 2.18 0.41 -0.04 -0.41 2.43 -0.87 -0.59 114.38 117.49 3fg0 h ARG 87 Ca 0.18 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3fg0 h ARG 87 Cb 1.98 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.44 3fg0 h ARG 87 CO 0.54 0.27 0.02 0.93 -1.51 0.00 0.00 179.97 180.22 3fg0 h GLU 88 N 0.43 0.06 -0.35 0.20 4.39 -1.84 -1.02 114.58 116.45 3fg0 h GLU 88 Ca 0.30 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 3fg0 h GLU 88 Cb 0.35 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3fg0 h GLU 88 CO -0.29 0.22 0.19 0.00 -1.16 0.00 0.00 179.01 177.97 3fg0 h ALA 89 N 0.84 0.44 -0.67 3.43 0.00 -1.87 -2.08 119.26 119.36 3fg0 h ALA 89 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fg0 h ALA 89 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3fg0 h ALA 89 CO -0.00 -0.03 0.43 -0.07 0.00 0.00 0.00 179.25 179.58 3fg0 h LEU 90 N 0.44 0.73 -0.63 0.00 3.38 -1.07 -1.31 115.31 116.86 3fg0 h LEU 90 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3fg0 h LEU 90 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3fg0 h LEU 90 CO -0.02 0.52 0.31 0.00 0.09 0.00 0.00 178.44 179.34 3fg0 h ALA 91 N 1.26 0.81 -0.57 1.53 0.00 -1.06 -1.04 119.26 120.19 3fg0 h ALA 91 Ca 0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 91 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3fg0 h ALA 91 CO -0.08 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 3fg0 h ARG 92 N 0.86 1.00 -0.67 0.00 3.08 -1.05 -1.29 114.38 116.31 3fg0 h ARG 92 Ca 0.22 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3fg0 h ARG 92 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3fg0 h ARG 92 CO -0.03 0.99 0.21 -0.07 -1.07 0.00 0.00 179.97 180.00 3fg0 h LEU 93 N 0.92 0.98 -0.67 3.04 3.38 -0.94 -0.32 115.31 121.70 3fg0 h LEU 93 Ca 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3fg0 h LEU 93 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3fg0 h LEU 93 CO 0.03 0.93 0.19 -0.08 0.09 0.00 0.00 178.44 179.60 3fg0 h GLU 94 N 0.98 1.05 -0.50 1.13 4.57 -0.82 -0.82 114.58 120.18 3fg0 h GLU 94 Ca 0.22 -0.24 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3fg0 h GLU 94 Cb 0.30 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3fg0 h GLU 94 CO -0.01 0.92 -0.14 1.15 -1.18 0.00 0.00 179.01 179.76 3fg0 h THR 95 N 0.98 1.27 -0.64 0.32 2.02 -1.05 -0.37 112.91 115.44 3fg0 h THR 95 Ca 0.21 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.05 3fg0 h THR 95 Cb 0.32 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3fg0 h THR 95 CO -0.00 0.45 0.18 0.25 0.37 0.00 0.00 175.52 176.77 3fg0 h LEU 96 N 0.83 0.92 0.21 2.58 5.85 -0.77 -0.32 115.31 124.61 3fg0 h LEU 96 Ca 0.12 -0.17 -0.33 0.00 0.84 0.00 0.00 57.88 58.34 3fg0 h LEU 96 Cb 0.70 -0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.51 3fg0 h LEU 96 CO 0.05 0.87 -1.54 -0.78 -0.34 0.00 0.00 178.44 176.70 3fg0 h ASP 97 N 0.95 0.69 0.00 1.25 3.58 -1.00 -3.40 116.42 118.49 3fg0 h ASP 97 Ca 0.21 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.83 3fg0 h ASP 97 Cb 0.30 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.12 3fg0 h ASP 97 CO -0.01 1.67 -1.07 0.35 -2.88 0.00 0.00 179.24 177.30 3fg0 n THR 98 N -3.63 0.00 0.00 2.25 -2.24 -0.16 -4.55 114.28 105.95 3fg0 n THR 98 Ca -0.18 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3fg0 n THR 98 Cb 1.08 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 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 1.49 2.74 3.75 3.38 0.00 -0.13 -4.75 105.19 111.67 3fg0 n GLY 99 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3fg0 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg0 s LYS 100 N -0.23 1.49 0.59 1.61 -2.85 -1.26 -4.23 119.74 114.86 3fg0 s LYS 100 Ca 0.00 0.73 -0.19 0.00 -1.00 0.00 0.00 55.97 55.50 3fg0 s LYS 100 Cb 0.00 -1.84 -0.03 0.00 -2.06 0.00 0.00 37.83 33.89 3fg0 s LYS 100 CO 0.00 -2.06 1.26 0.95 0.10 0.00 0.00 175.35 175.60 3fg0 s THR 101 N -3.02 2.38 0.30 3.79 -4.23 -1.26 -4.53 115.64 109.07 3fg0 s THR 101 Ca 0.63 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 3fg0 s THR 101 Cb -0.17 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.84 3fg0 s THR 101 CO 0.56 -0.04 1.91 0.25 -0.54 0.00 0.00 174.62 176.76 3fg0 h LEU 102 N 0.98 0.92 -0.98 4.79 5.85 -1.49 -0.69 115.31 124.69 3fg0 h LEU 102 Ca -0.51 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 3fg0 h LEU 102 Cb 1.31 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3fg0 h LEU 102 CO 0.55 0.59 0.35 -0.08 -0.34 0.00 0.00 178.44 179.51 3fg0 h GLU 103 N 1.04 1.08 -0.51 1.25 4.81 -1.91 0.47 114.58 120.80 3fg0 h GLU 103 Ca 0.40 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3fg0 h GLU 103 Cb 0.20 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3fg0 h GLU 103 CO -0.15 0.84 0.10 0.93 -0.73 0.00 0.00 179.01 180.00 3fg0 h GLU 104 N 1.07 0.83 -0.67 1.92 5.08 -1.70 -1.78 114.58 119.33 3fg0 h GLU 104 Ca 0.26 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3fg0 h GLU 104 Cb 0.13 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3fg0 h GLU 104 CO -0.03 0.82 0.23 0.77 -1.00 0.00 0.00 179.01 179.79 3fg0 h SER 105 N 0.71 0.97 -0.72 1.42 0.02 -0.49 -0.80 113.55 114.67 3fg0 h SER 105 Ca 0.16 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3fg0 h SER 105 Cb 0.38 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 3fg0 h SER 105 CO 0.01 0.91 0.43 1.88 -1.14 0.00 0.00 176.83 178.91 3fg0 h TYR 106 N 0.98 0.79 -0.73 3.45 0.05 -0.73 -1.24 116.97 119.53 3fg0 h TYR 106 Ca 0.22 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.05 3fg0 h TYR 106 Cb 0.27 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3fg0 h TYR 106 CO 0.02 0.41 0.47 0.00 -1.05 0.00 0.00 178.16 178.02 3fg0 h ALA 107 N 1.34 0.95 -0.67 3.88 0.00 -0.80 -0.94 119.26 123.02 3fg0 h ALA 107 Ca 0.31 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3fg0 h ALA 107 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3fg0 h ALA 107 CO -0.15 0.29 0.41 -0.44 0.00 0.00 0.00 179.25 179.36 3fg0 h ASP 108 N 0.94 0.68 -0.45 0.00 3.32 -0.61 -1.82 116.42 118.49 3fg0 h ASP 108 Ca 0.28 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 3fg0 h ASP 108 Cb -0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3fg0 h ASP 108 CO -0.09 0.47 -0.06 0.24 -1.72 0.00 0.00 179.24 178.08 3fg0 h MET 109 N 0.81 0.90 -0.47 3.56 2.86 -0.51 0.10 114.93 122.18 3fg0 h MET 109 Ca 0.27 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3fg0 h MET 109 Cb 0.02 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3fg0 h MET 109 CO -0.11 0.93 0.22 -0.44 1.06 0.00 0.00 176.91 178.57 3fg0 h ASP 110 N 0.81 0.63 -0.71 1.22 3.32 -1.06 -1.26 116.42 119.38 3fg0 h ASP 110 Ca 0.14 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3fg0 h ASP 110 Cb 0.57 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3fg0 h ASP 110 CO 0.03 0.59 0.37 0.44 -1.72 0.00 0.00 179.24 178.96 3fg0 h ASP 111 N 0.62 0.89 -0.34 6.45 3.32 -0.88 -2.35 116.42 124.13 3fg0 h ASP 111 Ca 0.16 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3fg0 h ASP 111 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3fg0 h ASP 111 CO -0.02 0.75 0.12 0.40 -1.72 0.00 0.00 179.24 178.77 3fg0 h ILE 112 N 0.97 1.20 -0.51 0.35 2.04 -0.59 1.00 117.51 121.97 3fg0 h ILE 112 Ca 0.25 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.58 3fg0 h ILE 112 Cb 0.06 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3fg0 h ILE 112 CO -0.04 0.22 0.08 -0.74 0.00 0.00 0.00 178.15 177.67 3fg0 h HIS 113 N 0.40 0.12 -0.14 1.37 2.76 -1.14 -1.60 115.15 116.93 3fg0 h HIS 113 Ca 0.11 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3fg0 h HIS 113 Cb 0.22 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3fg0 h HIS 113 CO 0.00 -0.03 -0.33 -0.91 -1.30 0.00 0.00 177.93 175.36 3fg0 h ASN 114 N 0.21 0.28 0.27 3.26 2.35 -0.88 -0.64 115.58 120.44 3fg0 h ASN 114 Ca 0.26 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3fg0 h ASN 114 Cb 0.36 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3fg0 h ASN 114 CO -0.36 0.61 -0.13 0.58 -1.65 0.00 0.00 177.43 176.48 3fg0 h VAL 115 N 0.24 0.77 -0.84 2.81 2.07 -0.30 0.75 116.25 121.76 3fg0 h VAL 115 Ca 0.03 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3fg0 h VAL 115 Cb 0.71 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3fg0 h VAL 115 CO 0.05 0.07 0.52 -0.26 0.02 0.00 0.00 177.57 177.98 3fg0 h PHE 116 N -0.54 1.10 -0.59 1.57 0.04 -1.17 -2.39 116.94 114.96 3fg0 h PHE 116 Ca -0.04 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.74 3fg0 h PHE 116 Cb 0.40 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 3fg0 h PHE 116 CO -0.01 0.73 0.38 0.52 -0.60 0.00 0.00 178.31 179.33 3fg0 h MET 117 N 1.15 0.76 0.08 1.51 2.86 -0.97 -0.75 114.93 119.57 3fg0 h MET 117 Ca 0.30 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3fg0 h MET 117 Cb -0.06 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.43 3fg0 h MET 117 CO -0.06 0.50 -0.04 -0.92 1.06 0.00 0.00 176.91 177.45 3fg0 h TYR 118 N 0.78 -0.11 -0.27 -0.22 3.20 -0.46 -1.64 116.97 118.26 3fg0 h TYR 118 Ca 0.22 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3fg0 h TYR 118 Cb -0.08 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3fg0 h TYR 118 CO -0.04 -0.06 -0.23 0.74 -1.64 0.00 0.00 178.16 176.94 3fg0 h PHE 119 N -0.12 0.57 -0.32 -3.82 0.04 -1.37 -1.06 116.94 110.85 3fg0 h PHE 119 Ca -0.01 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.70 3fg0 h PHE 119 Cb 0.10 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 3fg0 h PHE 119 CO -0.07 0.70 -0.03 0.00 -0.60 0.00 0.00 178.31 178.31 3fg0 h ALA 120 N 1.31 0.26 0.00 2.45 0.00 -0.85 -1.42 119.26 121.01 3fg0 h ALA 120 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3fg0 h ALA 120 Cb 0.64 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3fg0 h ALA 120 CO 0.05 -0.43 -0.21 0.78 0.00 0.00 0.00 179.25 179.43 3fg0 h GLY 121 N 0.06 0.00 1.78 0.00 0.00 -0.64 -3.07 103.07 101.19 3fg0 h GLY 121 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3fg0 h GLY 121 CO -0.29 0.00 -0.30 -2.00 0.00 0.00 0.00 176.54 173.95 3fg0 h LEU 122 N 0.00 0.00 -0.85 3.11 5.85 -0.53 -3.40 115.31 119.49 3fg0 h LEU 122 Ca -0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.90 3fg0 h LEU 122 Cb 0.70 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.62 3fg0 h LEU 122 CO 0.03 0.08 0.37 0.00 -0.34 0.00 0.00 178.44 178.58 3fg0 h ALA 123 N 1.92 1.29 -0.41 1.25 0.00 -1.18 -2.21 119.26 119.91 3fg0 h ALA 123 Ca -0.01 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 123 Cb 1.07 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 3fg0 h ALA 123 CO 0.01 -0.26 0.05 -0.40 0.00 0.00 0.00 179.25 178.65 3fg0 n ASP 124 N -5.01 3.58 -0.55 0.00 5.75 -1.26 -4.64 116.55 114.42 3fg0 n ASP 124 Ca 0.19 -3.33 0.10 0.00 -0.01 0.00 0.00 54.79 51.74 3fg0 n ASP 124 Cb 0.55 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.69 1.48 -3.16 0.11 4.76 -0.83 -4.85 118.16 114.98 3fg0 n LYS 125 Ca 0.30 -1.13 0.04 0.00 -2.87 0.00 0.00 58.31 54.65 3fg0 n LYS 125 Cb 1.06 -1.43 -0.00 0.00 -1.84 0.00 0.00 35.03 32.82 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 -2.24 -1.57 0.00 4.39 2.15 -1.26 -5.01 116.67 113.12 3fg0 s ASP 126 Ca 0.19 0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.47 3fg0 s ASP 126 Cb 0.17 1.99 0.94 0.00 -0.30 0.00 0.00 42.92 45.72 3fg0 s ASP 126 CO 0.48 -0.27 1.68 0.61 -0.17 0.00 0.00 175.17 177.50 3fg0 n GLY 127 N 5.24 0.14 0.00 2.66 0.00 -1.26 -4.87 105.19 107.09 3fg0 n GLY 127 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.20 0.66 3.16 -0.02 0.00 -1.26 -1.70 105.19 107.22 3fg0 n GLY 128 Ca 0.18 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.73 0.76 -0.19 1.61 -1.05 -0.08 -4.98 118.70 114.05 3fg0 s GLU 129 Ca 0.00 -1.12 -0.10 0.00 -0.15 0.00 0.00 54.97 53.59 3fg0 s GLU 129 Cb 0.00 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 3fg0 s GLU 129 CO 0.00 -0.20 0.15 -1.64 0.95 0.00 0.00 175.26 174.51 3fg0 s MET 130 N -3.91 4.13 -0.09 -4.83 -1.94 -1.26 -0.01 119.30 111.39 3fg0 s MET 130 Ca 0.08 -0.18 -0.03 0.00 -1.71 0.00 0.00 55.69 53.84 3fg0 s MET 130 Cb 0.06 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 3fg0 s MET 130 CO -0.09 0.33 0.05 0.42 -0.01 0.00 0.00 175.02 175.72 3fg0 s ILE 131 N 0.25 4.69 -0.69 2.53 -1.09 0.06 -4.97 121.20 121.98 3fg0 s ILE 131 Ca 0.09 -0.12 -0.27 0.00 -2.23 0.00 0.00 60.65 58.12 3fg0 s ILE 131 Cb -0.11 -3.00 0.03 0.00 -1.58 0.00 0.00 42.46 37.80 3fg0 s ILE 131 CO -0.01 0.59 1.21 -1.81 -1.23 0.00 0.00 174.94 173.70 3fg0 s ASP 132 N -0.98 6.23 0.18 3.58 1.01 -1.26 -4.30 116.67 121.13 3fg0 s ASP 132 Ca 0.14 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.71 3fg0 s ASP 132 Cb -0.12 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 3fg0 s ASP 132 CO 0.03 -1.69 1.19 -0.55 0.21 0.00 0.00 175.17 174.37 3fg0 s SER 133 N 3.53 7.09 0.00 0.27 0.15 -1.26 -4.91 113.70 118.57 3fg0 s SER 133 Ca 0.35 2.21 0.26 0.00 0.70 0.00 0.00 55.95 59.47 3fg0 s SER 133 Cb -0.09 -2.60 1.38 0.00 -1.71 0.00 0.00 66.02 62.99 3fg0 s SER 133 CO 0.17 -0.37 1.89 -0.81 1.20 0.00 0.00 173.24 175.31 3fg0 n PRO 134 N 2.60 0.50 -3.68 5.44 -0.04 -1.26 -4.69 135.00 133.86 3fg0 n PRO 134 Ca 0.05 0.03 -0.37 0.00 -0.04 0.00 0.00 63.50 63.16 3fg0 n PRO 134 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.41 4.70 0.66 0.52 1.01 -1.26 -5.08 121.20 119.34 3fg0 s ILE 135 Ca 0.29 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 3fg0 s ILE 135 Cb 0.18 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 3fg0 s ILE 135 CO 0.37 0.25 1.25 -2.84 0.00 0.00 0.00 174.94 173.98 3fg0 s PRO 136 N 1.66 2.53 -1.33 2.79 0.02 -1.26 -3.19 135.00 136.23 3fg0 s PRO 136 Ca 0.06 1.94 -0.04 0.00 0.02 0.00 0.00 61.00 62.99 3fg0 s PRO 136 Cb -0.16 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.52 3fg0 s PRO 136 CO 0.07 -1.58 0.90 -0.25 -0.33 0.00 0.00 177.00 175.81 3fg0 n ASP 137 N -2.04 -2.78 -4.01 2.53 8.00 -1.26 -4.95 116.55 112.04 3fg0 n ASP 137 Ca 0.15 -0.72 -0.09 0.00 0.71 0.00 0.00 54.79 54.84 3fg0 n ASP 137 Cb 0.49 -4.45 -0.11 0.00 -0.02 0.00 0.00 41.12 37.03 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 -3.47 0.14 -0.11 -3.53 -4.23 -1.19 -1.26 115.64 101.99 3fg0 s THR 138 Ca 0.20 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 3fg0 s THR 138 Cb -0.10 -0.59 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 3fg0 s THR 138 CO 0.78 -0.63 -0.17 -0.70 -0.54 0.00 0.00 174.62 173.36 3fg0 s GLU 139 N -2.11 3.12 -0.11 3.99 2.12 -0.02 -4.84 118.70 120.86 3fg0 s GLU 139 Ca -0.10 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.49 3fg0 s GLU 139 Cb -0.05 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.88 3fg0 s GLU 139 CO -0.03 0.27 -0.14 0.45 -0.54 0.00 0.00 175.26 175.27 3fg0 s SER 140 N 0.17 2.41 0.03 -1.70 0.15 -1.26 -0.62 113.70 112.88 3fg0 s SER 140 Ca -0.10 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 3fg0 s SER 140 Cb -0.16 -1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 63.07 3fg0 s SER 140 CO 0.06 -0.01 -0.01 -1.59 1.20 0.00 0.00 173.24 172.89 3fg0 s LYS 141 N 1.11 0.42 -0.27 5.44 -2.85 -0.83 -0.76 119.74 122.00 3fg0 s LYS 141 Ca -0.04 -0.77 -0.01 0.00 -1.00 0.00 0.00 55.97 54.15 3fg0 s LYS 141 Cb -0.14 0.15 0.04 0.00 -2.06 0.00 0.00 37.83 35.82 3fg0 s LYS 141 CO -0.03 -0.08 -0.05 0.42 0.10 0.00 0.00 175.35 175.72 3fg0 s ILE 142 N -2.19 2.77 -0.17 3.79 -1.09 0.98 -0.76 121.20 124.53 3fg0 s ILE 142 Ca -0.09 -1.32 -0.09 0.00 -2.23 0.00 0.00 60.65 56.93 3fg0 s ILE 142 Cb -0.04 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 3fg0 s ILE 142 CO -0.04 0.02 0.12 0.68 -1.23 0.00 0.00 174.94 174.49 3fg0 s VAL 143 N 1.24 5.35 -0.32 2.92 -7.23 0.03 -0.90 120.40 121.49 3fg0 s VAL 143 Ca -0.04 0.16 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 3fg0 s VAL 143 Cb -0.19 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 3fg0 s VAL 143 CO -0.03 0.50 0.20 -0.54 -0.31 0.00 0.00 175.10 174.92 3fg0 s LYS 144 N -0.12 3.51 0.25 4.82 1.02 -0.69 -1.32 119.74 127.23 3fg0 s LYS 144 Ca 0.10 -0.62 0.08 0.00 0.02 0.00 0.00 55.97 55.55 3fg0 s LYS 144 Cb -0.11 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3fg0 s LYS 144 CO 0.00 -0.39 0.11 -1.21 -0.92 0.00 0.00 175.35 172.94 3fg0 s GLU 145 N 1.69 2.65 0.39 1.68 2.02 0.07 -4.87 118.70 122.34 3fg0 s GLU 145 Ca 0.06 -1.20 -0.27 0.00 0.02 0.00 0.00 54.97 53.58 3fg0 s GLU 145 Cb -0.17 -2.39 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 3fg0 s GLU 145 CO 0.09 0.39 1.44 -1.25 0.02 0.00 0.00 175.26 175.95 3fg0 s PRO 146 N -3.72 4.01 0.45 0.39 0.04 -1.26 0.04 135.00 134.95 3fg0 s PRO 146 Ca 0.32 2.47 0.13 0.00 0.04 0.00 0.00 61.00 63.96 3fg0 s PRO 146 Cb -0.07 -2.88 1.05 0.00 0.04 0.00 0.00 34.50 32.63 3fg0 s PRO 146 CO 0.23 -0.58 2.04 -0.24 0.04 0.00 0.00 177.00 178.49 3fg0 h VAL 147 N 2.76 0.97 0.00 -0.36 3.04 -1.30 -3.41 116.25 117.95 3fg0 h VAL 147 Ca -0.51 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3fg0 h VAL 147 Cb 1.25 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3fg0 h VAL 147 CO 0.63 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.87 3fg0 n GLY 148 N -1.52 0.46 3.71 3.17 0.00 -1.26 -4.86 105.19 104.89 3fg0 n GLY 148 Ca 0.05 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.02 1.61 1.01 -1.26 -2.65 120.40 124.23 3fg0 s VAL 149 Ca 0.00 1.10 0.06 0.00 0.00 0.00 0.00 61.98 63.14 3fg0 s VAL 149 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3fg0 s VAL 149 CO 0.00 0.28 -0.19 0.68 0.00 0.00 0.00 175.10 175.87 3fg0 s VAL 150 N 0.84 1.49 -0.03 2.92 -7.23 -0.29 -0.29 120.40 117.81 3fg0 s VAL 150 Ca 0.29 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 3fg0 s VAL 150 Cb -0.16 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 3fg0 s VAL 150 CO 0.12 0.42 -0.05 0.42 -0.31 0.00 0.00 175.10 175.70 3fg0 s THR 151 N -0.42 3.80 -0.05 5.32 -4.23 -0.31 -1.10 115.64 118.65 3fg0 s THR 151 Ca 0.07 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3fg0 s THR 151 Cb -0.08 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3fg0 s THR 151 CO -0.01 0.47 0.00 -1.10 -0.54 0.00 0.00 174.62 173.45 3fg0 s GLN 152 N -1.21 0.48 -0.11 3.99 -0.21 0.14 -0.91 119.66 121.83 3fg0 s GLN 152 Ca 0.16 0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.66 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 0.06 -0.24 -0.15 0.42 -2.12 0.00 0.00 175.29 173.26 3fg0 s ILE 153 N 1.65 1.47 0.33 1.08 1.01 -0.25 -0.65 121.20 125.84 3fg0 s ILE 153 Ca -0.00 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 60.12 3fg0 s ILE 153 Cb -0.13 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 3fg0 s ILE 153 CO -0.03 0.44 -0.11 0.42 0.00 0.00 0.00 174.94 175.65 3fg0 s THR 154 N 1.02 2.34 0.44 2.92 -4.23 -1.02 -1.97 115.64 115.14 3fg0 s THR 154 Ca -0.06 -2.23 0.06 0.00 -1.18 0.00 0.00 61.69 58.28 3fg0 s THR 154 Cb -0.15 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3fg0 s THR 154 CO -0.02 -0.25 0.54 -0.81 -0.54 0.00 0.00 174.62 173.54 3fg0 n PRO 155 N -0.77 0.74 0.00 3.99 -0.04 -1.20 -2.46 135.00 135.26 3fg0 n PRO 155 Ca -0.05 -2.48 0.13 0.00 -0.04 0.00 0.00 63.50 61.06 3fg0 n PRO 155 Cb 0.63 -0.06 0.43 0.00 -0.04 0.00 0.00 33.50 34.46 3fg0 n PRO 155 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3fg0 n TRP 156 N -1.85 0.00 0.04 0.54 4.27 -1.26 -4.03 117.44 115.15 3fg0 n TRP 156 Ca 0.09 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.47 3fg0 n TRP 156 Cb 0.47 -0.10 -0.14 0.00 -1.36 0.00 0.00 31.31 30.17 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 1.38 0.52 -2.06 -0.67 -0.00 -1.96 -3.40 115.58 109.38 3fg0 h ASN 157 Ca 0.00 -0.92 -0.56 0.00 -0.00 0.00 0.00 56.30 54.83 3fg0 h ASN 157 Cb 0.49 -0.17 -0.40 0.00 -0.00 0.00 0.00 38.32 38.24 3fg0 h ASN 157 CO 0.00 1.75 -0.99 -1.22 -0.00 0.00 0.00 177.43 176.98 3fg0 n TYR 158 N -3.68 0.81 0.07 4.14 4.02 -1.26 -5.02 117.16 116.24 3fg0 n TYR 158 Ca -0.26 -3.75 -0.13 0.00 -0.01 0.00 0.00 57.90 53.76 3fg0 n TYR 158 Cb 1.02 -0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 39.87 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 3.84 -0.50 0.00 -0.72 0.11 -1.79 0.73 132.00 133.67 3fg0 h PRO 159 Ca 0.11 0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.04 3fg0 h PRO 159 Cb 0.83 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3fg0 h PRO 159 CO 0.57 -0.33 -0.89 1.25 -0.21 0.00 0.00 178.00 178.38 3fg0 h LEU 160 N -0.52 0.34 0.06 2.35 5.85 -1.92 -1.67 115.31 119.80 3fg0 h LEU 160 Ca 0.05 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3fg0 h LEU 160 Cb 0.59 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3fg0 h LEU 160 CO -0.27 1.07 -0.04 0.25 -0.34 0.00 0.00 178.44 179.12 3fg0 h LEU 161 N 0.15 -0.09 -1.35 2.25 5.85 -1.85 0.54 115.31 120.80 3fg0 h LEU 161 Ca -0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3fg0 h LEU 161 Cb 1.52 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3fg0 h LEU 161 CO 0.14 -0.06 0.17 1.56 -0.34 0.00 0.00 178.44 179.91 3fg0 h GLN 162 N -0.09 0.61 -0.43 1.25 4.20 -0.85 -2.10 115.11 117.70 3fg0 h GLN 162 Ca -0.00 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3fg0 h GLN 162 Cb 0.08 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3fg0 h GLN 162 CO 0.00 0.51 -0.11 0.00 -0.67 0.00 0.00 178.83 178.57 3fg0 h ALA 163 N 1.58 0.59 -0.50 3.87 0.00 -0.91 -3.13 119.26 120.77 3fg0 h ALA 163 Ca 0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3fg0 h ALA 163 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fg0 h ALA 163 CO -0.02 0.48 0.11 0.66 0.00 0.00 0.00 179.25 180.48 3fg0 h SER 164 N 0.66 0.72 0.28 0.00 4.64 -0.25 0.09 113.55 119.67 3fg0 h SER 164 Ca 0.11 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3fg0 h SER 164 Cb 0.64 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3fg0 h SER 164 CO 0.04 0.72 -0.09 -0.50 -0.87 0.00 0.00 176.83 176.13 3fg0 h TRP 165 N 0.74 0.00 0.01 4.77 4.06 -1.37 -1.87 115.95 122.30 3fg0 h TRP 165 Ca 0.16 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.74 3fg0 h TRP 165 Cb 0.29 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.40 3fg0 h TRP 165 CO 0.02 0.09 -2.07 1.63 -3.56 0.00 0.00 178.44 174.55 3fg0 n LYS 166 N -3.71 0.60 -0.07 0.49 5.02 -0.90 -4.48 118.16 115.11 3fg0 n LYS 166 Ca -0.02 0.36 -0.10 0.00 -2.02 0.00 0.00 58.31 56.53 3fg0 n LYS 166 Cb 0.20 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 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 -0.82 1.15 -0.10 -0.18 2.04 -0.98 -2.84 117.51 115.78 3fg0 h ILE 167 Ca -0.55 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 64.91 3fg0 h ILE 167 Cb 1.57 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 3fg0 h ILE 167 CO -0.28 0.15 -0.19 0.00 0.00 0.00 0.00 178.15 177.82 3fg0 h ALA 168 N 0.97 -0.16 -0.08 1.87 0.00 -1.57 -0.87 119.26 119.43 3fg0 h ALA 168 Ca 0.09 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3fg0 h ALA 168 Cb 0.13 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fg0 h ALA 168 CO -0.01 -0.66 -0.65 -1.00 0.00 0.00 0.00 179.25 176.94 3fg0 h PRO 169 N -0.26 0.32 -0.40 0.00 0.13 -1.78 -1.62 132.00 128.38 3fg0 h PRO 169 Ca 0.09 -0.23 0.04 0.00 -0.87 0.00 0.00 66.00 65.03 3fg0 h PRO 169 Cb 0.39 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.51 3fg0 h PRO 169 CO -0.25 0.85 0.16 0.00 -0.23 0.00 0.00 178.00 178.53 3fg0 h ALA 170 N 1.09 0.48 -0.34 -0.56 0.00 -1.21 -1.47 119.26 117.25 3fg0 h ALA 170 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3fg0 h ALA 170 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3fg0 h ALA 170 CO 0.11 -0.23 -0.37 -0.07 0.00 0.00 0.00 179.25 178.69 3fg0 h LEU 171 N 0.33 0.91 -1.00 0.00 3.38 -1.10 -0.89 115.31 116.94 3fg0 h LEU 171 Ca 0.18 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.74 3fg0 h LEU 171 Cb 0.14 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3fg0 h LEU 171 CO -0.17 1.21 0.64 0.00 0.09 0.00 0.00 178.44 180.21 3fg0 h ALA 172 N 0.73 1.39 0.00 1.53 0.00 -1.03 -2.46 119.26 119.43 3fg0 h ALA 172 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fg0 h ALA 172 Cb 0.96 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fg0 h ALA 172 CO 0.09 0.42 -0.19 0.25 0.00 0.00 0.00 179.25 179.82 3fg0 n THR 173 N -4.52 0.31 0.00 0.00 -2.24 -0.58 -4.75 114.28 102.50 3fg0 n THR 173 Ca 0.16 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3fg0 n THR 173 Cb 0.20 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.39 1.01 3.79 3.38 0.00 -0.93 -3.97 105.19 109.87 3fg0 n GLY 174 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.77 5.86 0.06 0.00 0.01 -1.08 -4.68 113.70 110.10 3fg0 s SER 176 Ca 0.61 0.22 0.03 0.00 1.31 0.00 0.00 55.95 58.12 3fg0 s SER 176 Cb -0.15 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 3fg0 s SER 176 CO 0.55 0.29 -0.10 -1.48 0.41 0.00 0.00 173.24 172.91 3fg0 s LEU 177 N -1.65 2.30 -0.16 2.44 0.05 0.35 -1.14 118.68 120.87 3fg0 s LEU 177 Ca 0.22 -0.64 -0.00 0.00 0.05 0.00 0.00 54.13 53.76 3fg0 s LEU 177 Cb -0.12 -0.31 0.04 0.00 -2.05 0.00 0.00 46.19 43.75 3fg0 s LEU 177 CO 0.13 -0.18 -0.06 -0.69 -0.55 0.00 0.00 176.35 175.00 3fg0 s VAL 178 N -1.61 1.14 -0.09 1.48 1.01 -0.26 -1.57 120.40 120.49 3fg0 s VAL 178 Ca -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3fg0 s VAL 178 Cb -0.08 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3fg0 s VAL 178 CO 0.01 0.17 0.01 -0.32 0.00 0.00 0.00 175.10 174.98 3fg0 s MET 179 N 1.63 3.02 -0.19 2.72 0.00 0.54 -0.68 119.30 126.33 3fg0 s MET 179 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 55.69 55.28 3fg0 s MET 179 Cb -0.15 -2.83 0.06 0.00 0.00 0.00 0.00 34.83 31.92 3fg0 s MET 179 CO -0.08 0.71 0.06 0.21 0.00 0.00 0.00 175.02 175.92 3fg0 s LYS 180 N -0.91 0.41 0.92 4.11 2.20 0.18 -0.72 119.74 125.94 3fg0 s LYS 180 Ca 0.14 -0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 55.30 3fg0 s LYS 180 Cb -0.11 -1.96 0.14 0.00 -1.51 0.00 0.00 37.83 34.39 3fg0 s LYS 180 CO 0.03 -0.68 1.13 -1.25 -0.36 0.00 0.00 175.35 174.21 3fg0 s PRO 181 N 1.97 1.05 0.29 4.03 0.04 -1.26 -2.43 135.00 138.68 3fg0 s PRO 181 Ca 0.01 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 3fg0 s PRO 181 Cb -0.17 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 3fg0 s PRO 181 CO -0.10 -2.27 1.43 0.45 0.04 0.00 0.00 177.00 176.55 3fg0 n SER 182 N -3.82 3.11 0.30 6.66 2.88 -1.03 -4.70 113.62 117.01 3fg0 n SER 182 Ca 0.06 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.92 3fg0 n SER 182 Cb 0.59 -1.50 0.91 0.00 -0.75 0.00 0.00 64.21 63.46 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 3.88 0.00 -0.00 -1.46 9.09 -1.90 -1.99 114.58 122.20 3fg0 h GLU 183 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3fg0 h GLU 183 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3fg0 h GLU 183 CO 0.73 0.01 -0.41 0.44 0.05 0.00 0.00 179.01 179.82 3fg0 n ILE 184 N -3.84 0.00 -3.20 -1.06 -5.35 -1.26 -4.49 119.36 100.15 3fg0 n ILE 184 Ca -0.03 -0.06 -0.23 0.00 -0.27 0.00 0.00 62.75 62.16 3fg0 n ILE 184 Cb 0.09 0.34 -0.06 0.00 -1.74 0.00 0.00 39.64 38.26 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 -1.13 -0.43 1.10 7.28 -2.24 -0.75 -4.65 114.28 113.46 3fg0 n THR 185 Ca 0.08 -4.19 0.12 0.00 -2.27 0.00 0.00 64.05 57.80 3fg0 n THR 185 Cb 0.34 -1.65 0.16 0.00 -2.10 0.00 0.00 70.33 67.08 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 1.16 0.88 0.11 -0.78 -0.04 -1.24 -4.52 135.00 130.58 3fg0 n PRO 186 Ca 0.22 -0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 62.90 3fg0 n PRO 186 Cb 0.55 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.58 -0.17 -1.18 1.53 3.38 -1.93 -1.36 115.31 117.16 3fg0 h LEU 187 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3fg0 h LEU 187 Cb 0.62 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3fg0 h LEU 187 CO 0.00 -0.09 -0.22 0.71 0.09 0.00 0.00 178.44 178.93 3fg0 h THR 188 N -0.23 0.57 -0.07 0.22 1.35 -1.87 -1.79 112.91 111.07 3fg0 h THR 188 Ca -0.02 -1.08 -0.25 0.00 -0.55 0.00 0.00 66.41 64.51 3fg0 h THR 188 Cb 0.18 1.73 0.02 0.00 -1.73 0.00 0.00 68.15 68.35 3fg0 h THR 188 CO 0.03 0.22 -0.92 0.74 -0.25 0.00 0.00 175.52 175.35 3fg0 h THR 189 N 0.00 1.28 -0.01 6.82 2.02 -1.74 -0.06 112.91 121.21 3fg0 h THR 189 Ca -0.00 -2.12 0.01 0.00 0.77 0.00 0.00 66.41 65.07 3fg0 h THR 189 Cb 0.71 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3fg0 h THR 189 CO 0.03 0.66 -0.04 0.40 0.37 0.00 0.00 175.52 176.95 3fg0 h ILE 190 N 0.46 0.90 -0.71 3.11 2.04 -1.13 -1.72 117.51 120.46 3fg0 h ILE 190 Ca -0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.83 3fg0 h ILE 190 Cb 1.56 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 3fg0 h ILE 190 CO 0.18 0.00 0.41 -0.09 0.00 0.00 0.00 178.15 178.65 3fg0 h ARG 191 N -0.06 0.73 -0.23 2.37 9.65 -1.13 -1.45 114.38 124.26 3fg0 h ARG 191 Ca 0.02 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 3fg0 h ARG 191 Cb 0.09 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 3fg0 h ARG 191 CO -0.05 0.49 -0.20 -0.24 2.80 0.00 0.00 179.97 182.77 3fg0 h VAL 192 N 0.76 1.24 -0.65 0.20 3.04 -0.73 -1.64 116.25 118.47 3fg0 h VAL 192 Ca 0.32 -1.11 -0.07 0.00 -1.01 0.00 0.00 66.70 64.83 3fg0 h VAL 192 Cb 0.18 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 3fg0 h VAL 192 CO -0.18 0.35 0.12 -0.26 -1.01 0.00 0.00 177.57 176.59 3fg0 h PHE 193 N 0.37 1.12 -0.53 3.17 -1.00 -0.61 0.12 116.94 119.58 3fg0 h PHE 193 Ca 0.06 -0.14 0.05 0.00 2.81 0.00 0.00 57.97 60.75 3fg0 h PHE 193 Cb 0.56 -0.31 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 3fg0 h PHE 193 CO 0.02 0.93 0.27 0.93 -1.61 0.00 0.00 178.31 178.85 3fg0 h GLU 194 N 1.00 0.50 -0.56 1.51 5.08 -0.59 -0.84 114.58 120.68 3fg0 h GLU 194 Ca 0.20 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3fg0 h GLU 194 Cb 0.41 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3fg0 h GLU 194 CO 0.01 0.33 0.00 -0.07 -1.00 0.00 0.00 179.01 178.28 3fg0 h LEU 195 N 0.52 0.97 -0.78 1.33 3.38 -0.86 -2.46 115.31 117.40 3fg0 h LEU 195 Ca 0.24 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3fg0 h LEU 195 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3fg0 h LEU 195 CO -0.17 1.04 0.25 0.24 0.09 0.00 0.00 178.44 179.89 3fg0 h MET 196 N 0.87 1.17 -0.93 1.13 2.86 -0.58 -2.03 114.93 117.42 3fg0 h MET 196 Ca 0.16 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3fg0 h MET 196 Cb 0.54 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3fg0 h MET 196 CO 0.03 0.98 0.61 1.49 1.06 0.00 0.00 176.91 181.08 3fg0 h GLU 197 N 1.12 1.16 -0.65 1.72 4.81 -0.99 -1.49 114.58 120.27 3fg0 h GLU 197 Ca 0.25 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3fg0 h GLU 197 Cb 0.29 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3fg0 h GLU 197 CO -0.01 0.77 0.37 0.93 -0.73 0.00 0.00 179.01 180.33 3fg0 h GLU 198 N 1.20 0.89 -0.56 1.92 5.08 -0.95 -2.45 114.58 119.72 3fg0 h GLU 198 Ca 0.36 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3fg0 h GLU 198 Cb -0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3fg0 h GLU 198 CO -0.10 0.66 0.35 0.28 -1.00 0.00 0.00 179.01 179.21 3fg0 h VAL 199 N 0.88 1.16 -0.14 3.13 2.07 -0.72 -3.49 116.25 119.14 3fg0 h VAL 199 Ca 0.23 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3fg0 h VAL 199 Cb 0.02 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3fg0 h VAL 199 CO -0.04 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3fg0 n GLY 200 N -1.19 0.56 3.20 2.17 0.00 -0.62 -5.12 105.19 104.20 3fg0 n GLY 200 Ca 0.03 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 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 1.23 0.48 1.61 0.08 -1.26 -5.05 117.98 115.07 3fg0 s PHE 201 Ca 0.00 -0.58 -0.24 0.00 0.12 0.00 0.00 56.93 56.24 3fg0 s PHE 201 Cb 0.00 -0.66 -0.07 0.00 -0.57 0.00 0.00 43.02 41.71 3fg0 s PHE 201 CO 0.00 0.07 1.31 -2.30 -0.10 0.00 0.00 175.22 174.20 3fg0 n PRO 202 N 0.67 1.84 -1.75 0.24 -0.02 -1.26 -4.87 135.00 129.85 3fg0 n PRO 202 Ca -0.17 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3fg0 n PRO 202 Cb 0.57 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.44 2.74 0.00 -0.52 2.85 -1.26 -1.80 118.16 119.74 3fg0 n LYS 203 Ca 0.08 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.31 3fg0 n LYS 203 Cb 0.42 -2.76 0.00 0.00 -0.65 0.00 0.00 35.03 32.04 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 2.01 2.44 0.29 2.58 0.00 -1.26 -4.66 105.19 106.59 3fg0 n GLY 204 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.11 2.61 2.02 -1.64 -3.28 112.91 109.76 3fg0 h THR 205 Ca 0.00 -0.96 -0.57 0.00 0.77 0.00 0.00 66.41 65.65 3fg0 h THR 205 Cb 0.00 0.70 -0.30 0.00 -1.74 0.00 0.00 68.15 66.81 3fg0 h THR 205 CO 0.00 0.36 -0.84 0.27 0.37 0.00 0.00 175.52 175.67 3fg0 s ILE 206 N -5.26 1.47 -0.04 3.11 -4.36 -1.26 -0.49 121.20 114.37 3fg0 s ILE 206 Ca -0.12 -0.76 -0.03 0.00 -0.26 0.00 0.00 60.65 59.47 3fg0 s ILE 206 Cb 0.13 -1.24 0.01 0.00 1.25 0.00 0.00 42.46 42.61 3fg0 s ILE 206 CO 0.83 0.42 0.09 0.20 0.24 0.00 0.00 174.94 176.72 3fg0 s ASN 207 N -0.19 -0.09 -0.22 4.36 0.01 -0.61 -4.56 114.94 113.65 3fg0 s ASN 207 Ca 0.01 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 3fg0 s ASN 207 Cb -0.10 0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.78 3fg0 s ASN 207 CO 0.01 -0.04 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.20 3fg0 s LEU 208 N 0.15 2.73 -0.11 0.60 2.96 0.10 -0.34 118.68 124.77 3fg0 s LEU 208 Ca -0.01 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 52.98 3fg0 s LEU 208 Cb -0.02 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3fg0 s LEU 208 CO -0.00 -0.08 0.04 -0.63 -1.32 0.00 0.00 176.35 174.36 3fg0 s ILE 209 N 1.26 4.62 -0.11 6.68 -1.09 0.10 -1.26 121.20 131.41 3fg0 s ILE 209 Ca 0.00 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 3fg0 s ILE 209 Cb -0.16 -2.98 -0.00 0.00 -1.58 0.00 0.00 42.46 37.74 3fg0 s ILE 209 CO -0.09 0.58 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.22 3fg0 s LEU 210 N -0.69 2.15 0.00 2.97 1.43 -1.26 -4.13 118.68 119.15 3fg0 s LEU 210 Ca 0.11 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3fg0 s LEU 210 Cb -0.12 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3fg0 s LEU 210 CO 0.02 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3fg0 n GLY 211 N 3.56 0.59 3.76 -3.19 0.00 -1.26 0.26 105.19 108.90 3fg0 n GLY 211 Ca -0.19 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 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 3.42 0.38 4.61 0.00 -1.26 -4.29 121.76 122.62 3fg0 s ALA 212 Ca 0.00 0.93 0.07 0.00 0.00 0.00 0.00 51.96 52.96 3fg0 s ALA 212 Cb 0.00 -3.34 0.80 0.00 0.00 0.00 0.00 23.12 20.58 3fg0 s ALA 212 CO 0.00 -0.20 1.98 0.78 0.00 0.00 0.00 175.76 178.32 3fg0 h GLY 213 N 3.82 0.84 2.00 0.00 0.00 -1.96 -0.98 103.07 106.79 3fg0 h GLY 213 Ca -0.47 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3fg0 h GLY 213 CO 0.67 0.21 0.00 1.48 0.00 0.00 0.00 176.54 178.90 3fg0 h SER 214 N 0.68 0.00 0.00 0.19 4.64 -1.98 0.55 113.55 117.62 3fg0 h SER 214 Ca 0.28 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.20 3fg0 h SER 214 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 3fg0 h SER 214 CO -0.09 0.00 -2.19 1.21 -0.87 0.00 0.00 176.83 174.89 3fg0 n GLU 215 N -2.84 0.58 -0.00 4.77 2.13 -0.46 -4.78 120.64 120.04 3fg0 n GLU 215 Ca 0.00 0.35 0.07 0.00 0.66 0.00 0.00 57.16 58.24 3fg0 n GLU 215 Cb 0.23 -1.56 -0.09 0.00 0.27 0.00 0.00 31.44 30.29 3fg0 n GLU 215 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3fg0 n VAL 216 N -4.30 0.00 -0.22 6.31 0.24 -0.66 -4.38 118.33 115.32 3fg0 n VAL 216 Ca -0.49 -0.21 -0.06 0.00 -2.04 0.00 0.00 64.34 61.54 3fg0 n VAL 216 Cb 0.83 0.77 0.04 0.00 -1.47 0.00 0.00 33.84 34.01 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 3.17 0.92 1.60 7.63 0.00 -1.02 -2.74 103.07 112.62 3fg0 h GLY 217 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 3fg0 h GLY 217 CO 0.00 0.38 -0.16 -0.55 0.00 0.00 0.00 176.54 176.22 3fg0 h ASP 218 N 0.85 0.47 0.53 0.19 5.19 -1.83 -1.74 116.42 120.09 3fg0 h ASP 218 Ca 0.22 -0.13 -0.16 0.00 -0.62 0.00 0.00 57.03 56.34 3fg0 h ASP 218 Cb 0.01 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3fg0 h ASP 218 CO -0.04 0.65 -0.72 1.62 -3.12 0.00 0.00 179.24 177.63 3fg0 h VAL 219 N 0.44 1.46 -0.09 -1.35 3.04 -1.83 0.13 116.25 118.05 3fg0 h VAL 219 Ca 0.08 -2.31 -0.09 0.00 -1.01 0.00 0.00 66.70 63.37 3fg0 h VAL 219 Cb 0.53 2.24 -0.01 0.00 -2.01 0.00 0.00 31.29 32.04 3fg0 h VAL 219 CO 0.03 0.67 -0.34 0.24 -1.01 0.00 0.00 177.57 177.16 3fg0 h MET 220 N 0.10 0.17 0.00 4.17 2.86 -1.12 -2.13 114.93 118.98 3fg0 h MET 220 Ca -0.02 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.39 3fg0 h MET 220 Cb 1.28 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 3fg0 h MET 220 CO 0.11 0.50 -1.43 -1.13 1.06 0.00 0.00 176.91 176.01 3fg0 n SER 221 N -4.09 0.83 -0.43 1.22 3.41 -0.71 -4.57 113.62 109.29 3fg0 n SER 221 Ca -0.01 0.37 0.05 0.00 -0.26 0.00 0.00 58.87 59.01 3fg0 n SER 221 Cb 0.42 0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.40 0.03 3.76 5.00 0.00 0.44 -3.73 105.19 112.09 3fg0 n GLY 222 Ca -0.10 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.86 3.58 0.25 1.61 2.46 -0.81 -4.80 115.29 116.72 3fg0 s HIS 223 Ca 0.13 1.70 0.37 0.00 0.47 0.00 0.00 55.06 57.73 3fg0 s HIS 223 Cb 0.09 -3.27 1.69 0.00 -0.13 0.00 0.00 32.58 30.96 3fg0 s HIS 223 CO 0.13 -0.53 2.09 1.57 -2.47 0.00 0.00 174.74 175.53 3fg0 h LYS 224 N 3.78 0.00 -0.01 2.88 2.10 -1.95 -2.48 116.57 120.89 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 0.00 -0.00 0.39 -2.00 0.00 0.00 179.45 178.51 3fg0 n GLU 225 N -3.02 1.45 -3.17 0.07 -0.58 -1.26 -4.84 120.64 109.29 3fg0 n GLU 225 Ca -0.01 -0.67 -0.39 0.00 -0.42 0.00 0.00 57.16 55.68 3fg0 n GLU 225 Cb 0.22 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.00 4.94 -0.05 2.62 1.01 -0.94 -4.55 120.40 121.44 3fg0 s VAL 226 Ca 0.41 1.28 0.20 0.00 0.00 0.00 0.00 61.98 63.87 3fg0 s VAL 226 Cb 0.21 -3.95 -0.30 0.00 0.00 0.00 0.00 36.38 32.34 3fg0 s VAL 226 CO 0.35 0.38 0.39 0.47 0.00 0.00 0.00 175.10 176.68 3fg0 n ASP 227 N 2.99 0.46 -3.69 3.32 8.00 0.60 -4.87 116.55 123.36 3fg0 n ASP 227 Ca -0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 3fg0 n ASP 227 Cb 0.51 1.78 -0.10 0.00 -0.02 0.00 0.00 41.12 43.30 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 -4.51 -0.12 -0.17 0.64 2.96 -1.11 -2.82 118.68 113.55 3fg0 s LEU 228 Ca -0.08 1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.82 3fg0 s LEU 228 Cb 0.12 1.61 -0.02 0.00 0.50 0.00 0.00 46.19 48.40 3fg0 s LEU 228 CO 0.82 -0.19 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.89 3fg0 s VAL 229 N 1.02 3.42 -0.18 1.68 1.01 -0.52 -1.16 120.40 125.67 3fg0 s VAL 229 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3fg0 s VAL 229 Cb -0.06 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3fg0 s VAL 229 CO -0.09 0.48 -0.19 -0.55 0.00 0.00 0.00 175.10 174.75 3fg0 s SER 230 N 0.72 3.21 -0.02 3.32 0.15 -0.09 -1.50 113.70 119.49 3fg0 s SER 230 Ca -0.03 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.02 3fg0 s SER 230 Cb -0.15 -1.50 -0.00 0.00 -1.71 0.00 0.00 66.02 62.66 3fg0 s SER 230 CO 0.02 0.01 -0.12 0.12 1.20 0.00 0.00 173.24 174.47 3fg0 s PHE 231 N 1.26 1.13 -0.08 3.44 5.36 -0.21 -1.10 117.98 127.78 3fg0 s PHE 231 Ca 0.04 -0.27 0.02 0.00 -0.96 0.00 0.00 56.93 55.76 3fg0 s PHE 231 Cb -0.13 -0.77 0.01 0.00 -0.34 0.00 0.00 43.02 41.79 3fg0 s PHE 231 CO -0.11 -0.08 -0.14 0.99 -1.46 0.00 0.00 175.22 174.42 3fg0 s THR 232 N -0.00 1.31 -0.86 0.12 2.01 -0.83 -1.54 115.64 115.85 3fg0 s THR 232 Ca -0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3fg0 s THR 232 Cb -0.08 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.24 3fg0 s THR 232 CO 0.00 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3fg0 n GLY 233 N 3.95 -0.75 3.97 4.40 0.00 -0.59 -3.27 105.19 112.90 3fg0 n GLY 233 Ca -0.21 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 1.60 0.28 -0.02 0.00 -1.26 -3.52 107.32 104.40 3fg0 s GLY 234 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.49 3fg0 s GLY 234 CO 0.00 -1.08 1.79 1.19 0.00 0.00 0.00 173.10 175.00 3fg0 h ILE 235 N 0.56 1.23 -0.10 0.90 2.10 -1.92 -1.13 117.51 119.15 3fg0 h ILE 235 Ca -0.46 -0.95 -0.02 0.00 1.08 0.00 0.00 64.86 64.51 3fg0 h ILE 235 Cb 1.26 0.92 -0.00 0.00 -1.09 0.00 0.00 36.82 37.90 3fg0 h ILE 235 CO 0.55 0.33 -0.00 -0.33 -1.08 0.00 0.00 178.15 177.62 3fg0 h GLU 236 N 0.66 0.17 -0.45 2.19 5.08 -1.95 -1.71 114.58 118.57 3fg0 h GLU 236 Ca 0.13 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3fg0 h GLU 236 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3fg0 h GLU 236 CO 0.02 0.44 -0.18 1.15 -1.00 0.00 0.00 179.01 179.43 3fg0 h THR 237 N -0.11 1.27 -0.60 1.13 2.02 -1.97 -2.47 112.91 112.18 3fg0 h THR 237 Ca 0.03 -1.31 0.02 0.00 0.77 0.00 0.00 66.41 65.91 3fg0 h THR 237 Cb 0.36 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3fg0 h THR 237 CO 0.01 0.45 0.38 1.23 0.37 0.00 0.00 175.52 177.96 3fg0 h GLY 238 N 0.94 0.86 1.12 2.16 0.00 -1.07 0.28 103.07 107.36 3fg0 h GLY 238 Ca 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3fg0 h GLY 238 CO 0.06 0.26 0.02 0.50 0.00 0.00 0.00 176.54 177.38 3fg0 h LYS 239 N 0.76 1.05 -0.29 4.80 1.57 -1.25 -1.04 116.57 122.18 3fg0 h LYS 239 Ca 0.23 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3fg0 h LYS 239 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fg0 h LYS 239 CO -0.08 1.02 0.15 1.25 -0.57 0.00 0.00 179.45 181.22 3fg0 h HIS 240 N 0.97 0.40 -0.60 -1.35 2.76 -0.98 -0.95 115.15 115.39 3fg0 h HIS 240 Ca 0.18 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3fg0 h HIS 240 Cb 0.53 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3fg0 h HIS 240 CO 0.04 0.34 0.39 0.82 -1.30 0.00 0.00 177.93 178.21 3fg0 h ILE 241 N 0.34 1.16 -0.51 6.26 2.04 -0.74 -1.68 117.51 124.38 3fg0 h ILE 241 Ca 0.10 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3fg0 h ILE 241 Cb 0.07 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3fg0 h ILE 241 CO -0.02 0.16 0.30 -0.03 0.00 0.00 0.00 178.15 178.56 3fg0 h MET 242 N 0.81 0.71 -0.50 2.37 4.05 -0.87 0.21 114.93 121.72 3fg0 h MET 242 Ca 0.22 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3fg0 h MET 242 Cb -0.08 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.56 3fg0 h MET 242 CO -0.05 0.53 0.15 0.87 0.23 0.00 0.00 176.91 178.65 3fg0 h LYS 243 N 0.69 0.74 -0.01 0.39 1.57 -1.02 -2.05 116.57 116.86 3fg0 h LYS 243 Ca 0.18 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 3fg0 h LYS 243 Cb 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3fg0 h LYS 243 CO -0.03 0.65 -0.92 -0.97 -0.57 0.00 0.00 179.45 177.61 3fg0 h ASN 244 N 0.72 0.57 -0.02 0.86 -1.24 -0.70 -3.08 115.58 112.70 3fg0 h ASN 244 Ca 0.17 -0.44 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 3fg0 h ASN 244 Cb 0.22 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3fg0 h ASN 244 CO -0.01 1.23 -0.03 0.00 -1.29 0.00 0.00 177.43 177.34 3fg0 h ALA 245 N 0.73 1.78 -0.06 1.57 0.00 -0.33 -2.29 119.26 120.67 3fg0 h ALA 245 Ca -0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3fg0 h ALA 245 Cb 1.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3fg0 h ALA 245 CO 0.16 0.17 0.05 0.00 0.00 0.00 0.00 179.25 179.64 3fg0 h ALA 246 N 1.84 1.77 -0.19 0.00 0.00 -1.28 -1.77 119.26 119.62 3fg0 h ALA 246 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3fg0 h ALA 246 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fg0 h ALA 246 CO 0.01 -0.08 0.16 -0.91 0.00 0.00 0.00 179.25 178.42 3fg0 h ASN 247 N 0.00 0.00 -0.09 0.00 2.35 -1.54 -1.91 115.58 114.39 3fg0 h ASN 247 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3fg0 h ASN 247 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3fg0 h ASN 247 CO -0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3fg0 n ASN 248 N -4.19 2.58 -3.82 5.81 3.02 -0.87 -4.99 115.26 112.78 3fg0 n ASN 248 Ca 0.02 -2.60 -0.27 0.00 -0.03 0.00 0.00 54.58 51.70 3fg0 n ASN 248 Cb 0.30 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 3fg0 n ASN 248 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3fg0 n VAL 249 N -0.75 -2.99 -3.07 2.41 0.31 -0.72 -4.92 118.33 108.61 3fg0 n VAL 249 Ca 0.11 -0.20 -0.39 0.00 -0.01 0.00 0.00 64.34 63.85 3fg0 n VAL 249 Cb 0.54 -3.23 -0.05 0.00 -0.91 0.00 0.00 33.84 30.18 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 4.79 0.32 2.52 2.01 -0.72 -5.00 115.64 116.10 3fg0 s THR 250 Ca 0.40 1.48 -0.28 0.00 0.31 0.00 0.00 61.69 63.61 3fg0 s THR 250 Cb -0.20 -4.05 -0.13 0.00 0.01 0.00 0.00 72.50 68.13 3fg0 s THR 250 CO 0.82 0.39 1.18 0.59 -0.69 0.00 0.00 174.62 176.91 3fg0 n ASN 251 N 2.76 2.18 -4.15 3.53 3.02 -1.13 -4.73 115.26 116.75 3fg0 n ASN 251 Ca -0.04 1.20 -0.22 0.00 -0.03 0.00 0.00 54.58 55.49 3fg0 n ASN 251 Cb 0.50 -1.41 -0.14 0.00 -0.61 0.00 0.00 39.78 38.13 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 -1.05 1.20 -0.13 2.41 -0.00 -1.26 -1.43 121.20 120.93 3fg0 s ILE 252 Ca 0.57 -0.88 -0.00 0.00 -0.00 0.00 0.00 60.65 60.34 3fg0 s ILE 252 Cb -0.62 -1.05 0.02 0.00 -0.00 0.00 0.00 42.46 40.81 3fg0 s ILE 252 CO 0.61 0.15 -0.11 0.00 -0.00 0.00 0.00 174.94 175.59 3fg0 s ALA 253 N -0.65 1.62 -0.01 2.27 0.00 -0.56 -4.73 121.76 119.70 3fg0 s ALA 253 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.30 3fg0 s ALA 253 Cb -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3fg0 s ALA 253 CO 0.01 -0.40 -0.15 -0.51 0.00 0.00 0.00 175.76 174.71 3fg0 s LEU 254 N 1.59 2.03 -0.11 0.00 1.43 0.03 -1.04 118.68 122.60 3fg0 s LEU 254 Ca 0.05 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3fg0 s LEU 254 Cb -0.13 -0.75 0.03 0.00 0.03 0.00 0.00 46.19 45.37 3fg0 s LEU 254 CO -0.10 0.18 -0.02 -0.70 0.23 0.00 0.00 176.35 175.94 3fg0 s GLU 255 N -0.37 0.95 -0.16 1.70 -6.30 -0.59 -1.40 118.70 112.53 3fg0 s GLU 255 Ca 0.06 -0.13 0.15 0.00 -2.50 0.00 0.00 54.97 52.54 3fg0 s GLU 255 Cb -0.06 -1.42 0.34 0.00 0.00 0.00 0.00 34.13 33.00 3fg0 s GLU 255 CO -0.01 -0.36 1.18 1.28 0.02 0.00 0.00 175.26 177.38 3fg0 n LEU 256 N 5.05 2.43 0.00 2.70 4.77 0.37 -1.55 117.00 130.77 3fg0 n LEU 256 Ca -0.09 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.50 3fg0 n LEU 256 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3fg0 n LEU 256 CO 0.13 1.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3fg0 n GLY 257 N -1.23 -1.80 3.86 -0.72 0.00 -1.23 -3.86 105.19 100.22 3fg0 n GLY 257 Ca 0.17 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.41 0.02 -0.61 -0.02 0.00 -1.22 -4.53 107.32 100.55 3fg0 s GLY 258 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.57 3fg0 s GLY 258 CO 0.00 2.26 0.43 1.25 0.00 0.00 0.00 173.10 177.03 3fg0 s LYS 259 N -2.32 2.02 -0.22 2.90 2.47 -1.26 -4.67 119.74 118.66 3fg0 s LYS 259 Ca 0.21 -2.94 -0.22 0.00 -1.56 0.00 0.00 55.97 51.46 3fg0 s LYS 259 Cb -0.02 -2.91 -0.02 0.00 -1.46 0.00 0.00 37.83 33.42 3fg0 s LYS 259 CO 0.04 -1.29 0.67 -0.80 0.16 0.00 0.00 175.35 174.14 3fg0 s ASN 260 N -0.93 6.69 0.24 1.43 0.01 -1.25 -4.88 114.94 116.25 3fg0 s ASN 260 Ca 0.25 0.85 -0.27 0.00 -0.71 0.00 0.00 52.86 52.98 3fg0 s ASN 260 Cb -0.06 -2.37 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 3fg0 s ASN 260 CO -0.15 -0.35 0.89 -2.16 -1.51 0.00 0.00 177.10 173.82 3fg0 s PRO 261 N 2.25 4.69 -0.33 -0.60 0.04 -1.25 -2.88 135.00 136.91 3fg0 s PRO 261 Ca 0.30 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.71 3fg0 s PRO 261 Cb -0.16 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 31.34 3fg0 s PRO 261 CO 0.09 0.47 0.03 1.21 0.04 0.00 0.00 177.00 178.85 3fg0 s ASN 262 N -1.30 4.70 -0.28 6.66 3.84 -0.24 -1.46 114.94 126.86 3fg0 s ASN 262 Ca 0.42 -2.05 -0.13 0.00 0.21 0.00 0.00 52.86 51.31 3fg0 s ASN 262 Cb -0.23 -1.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.84 3fg0 s ASN 262 CO 0.28 -0.36 0.29 -0.63 -2.79 0.00 0.00 177.10 173.89 3fg0 s ILE 263 N 0.95 5.24 -0.26 -5.21 1.01 -0.40 -1.15 121.20 121.38 3fg0 s ILE 263 Ca 0.09 0.36 0.03 0.00 0.00 0.00 0.00 60.65 61.13 3fg0 s ILE 263 Cb -0.19 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.72 3fg0 s ILE 263 CO -0.08 0.19 -0.10 -0.63 0.00 0.00 0.00 174.94 174.32 3fg0 s ILE 264 N 1.92 2.14 0.57 2.92 1.01 0.95 -0.59 121.20 130.11 3fg0 s ILE 264 Ca 0.11 -1.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.03 3fg0 s ILE 264 Cb -0.16 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3fg0 s ILE 264 CO 0.10 -0.05 0.95 -0.36 0.00 0.00 0.00 174.94 175.59 3fg0 s PHE 265 N 1.11 3.60 0.41 3.97 0.08 -0.70 -1.30 117.98 125.15 3fg0 s PHE 265 Ca -0.08 1.16 0.21 0.00 0.12 0.00 0.00 56.93 58.34 3fg0 s PHE 265 Cb -0.20 -2.60 1.18 0.00 -0.57 0.00 0.00 43.02 40.83 3fg0 s PHE 265 CO -0.05 -0.54 1.76 0.22 -0.10 0.00 0.00 175.22 176.50 3fg0 h ASP 266 N -0.05 0.38 -0.60 1.36 3.58 -1.89 -0.94 116.42 118.27 3fg0 h ASP 266 Ca -0.45 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.08 3fg0 h ASP 266 Cb 1.19 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.27 3fg0 h ASP 266 CO 0.62 0.04 0.00 -0.90 -2.88 0.00 0.00 179.24 176.12 3fg0 n ASP 267 N -4.60 5.10 -4.74 2.28 5.75 -1.26 -4.93 116.55 114.15 3fg0 n ASP 267 Ca 0.27 -2.65 -0.33 0.00 -0.01 0.00 0.00 54.79 52.07 3fg0 n ASP 267 Cb 0.97 -0.63 0.09 0.00 -1.03 0.00 0.00 41.12 40.53 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 -2.25 2.13 -0.20 2.12 0.00 -0.36 -1.36 121.76 121.84 3fg0 s ALA 268 Ca 0.51 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3fg0 s ALA 268 Cb 0.36 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 3fg0 s ALA 268 CO 0.20 -1.84 1.72 0.34 0.00 0.00 0.00 175.76 176.18 3fg0 s ASP 269 N -2.55 6.26 0.02 0.00 -1.08 -1.26 -4.83 116.67 113.23 3fg0 s ASP 269 Ca 0.68 1.72 -0.25 0.00 -0.52 0.00 0.00 52.55 54.18 3fg0 s ASP 269 Cb -0.23 -2.53 -0.18 0.00 -1.46 0.00 0.00 42.92 38.52 3fg0 s ASP 269 CO 0.48 -1.34 1.41 0.15 0.52 0.00 0.00 175.17 176.40 3fg0 h PHE 270 N 11.28 -0.12 -0.58 -5.34 3.57 -1.93 -0.78 116.94 123.04 3fg0 h PHE 270 Ca -0.36 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 3fg0 h PHE 270 Cb 1.17 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3fg0 h PHE 270 CO 0.92 0.18 0.27 0.93 -2.23 0.00 0.00 178.31 178.37 3fg0 h GLU 271 N -0.42 0.82 -0.51 1.11 3.07 -2.00 -1.08 114.58 115.57 3fg0 h GLU 271 Ca -0.01 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 3fg0 h GLU 271 Cb 0.35 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3fg0 h GLU 271 CO 0.02 0.65 0.25 1.25 -1.40 0.00 0.00 179.01 179.77 3fg0 h LEU 272 N 0.82 0.67 -0.76 1.33 5.85 -1.92 -1.48 115.31 119.83 3fg0 h LEU 272 Ca 0.20 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3fg0 h LEU 272 Cb 0.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3fg0 h LEU 272 CO -0.02 0.61 0.14 0.00 -0.34 0.00 0.00 178.44 178.83 3fg0 h ALA 273 N 1.09 0.98 -0.09 1.25 0.00 -0.56 0.28 119.26 122.21 3fg0 h ALA 273 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fg0 h ALA 273 Cb 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3fg0 h ALA 273 CO -0.02 0.65 0.02 0.28 0.00 0.00 0.00 179.25 180.18 3fg0 h VAL 274 N 1.02 1.19 -0.51 0.00 2.07 -1.12 -0.05 116.25 118.86 3fg0 h VAL 274 Ca 0.21 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3fg0 h VAL 274 Cb 0.39 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 3fg0 h VAL 274 CO 0.01 0.16 0.19 -0.78 0.02 0.00 0.00 177.57 177.17 3fg0 h ASP 275 N -0.06 0.20 1.62 0.57 3.58 -0.99 -1.97 116.42 119.37 3fg0 h ASP 275 Ca 0.03 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 3fg0 h ASP 275 Cb 0.24 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3fg0 h ASP 275 CO -0.00 0.14 -0.24 1.56 -2.88 0.00 0.00 179.24 177.82 3fg0 h GLN 276 N 0.37 0.00 -0.37 0.28 1.08 -0.87 -1.45 115.11 114.15 3fg0 h GLN 276 Ca 0.24 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.38 3fg0 h GLN 276 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3fg0 h GLN 276 CO -0.24 0.24 -0.01 0.00 -0.95 0.00 0.00 178.83 177.88 3fg0 h ALA 277 N 1.76 0.50 -0.12 3.87 0.00 -0.48 0.16 119.26 124.95 3fg0 h ALA 277 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fg0 h ALA 277 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3fg0 h ALA 277 CO 0.03 0.28 0.08 -0.07 0.00 0.00 0.00 179.25 179.57 3fg0 h LEU 278 N 0.48 0.13 -0.56 0.00 3.38 -1.22 -0.42 115.31 117.10 3fg0 h LEU 278 Ca 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3fg0 h LEU 278 Cb 0.47 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3fg0 h LEU 278 CO 0.02 0.10 0.29 0.78 0.09 0.00 0.00 178.44 179.71 3fg0 h ASN 279 N 0.16 0.71 -0.24 -0.43 2.35 -1.14 0.10 115.58 117.10 3fg0 h ASN 279 Ca 0.04 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 3fg0 h ASN 279 Cb -0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3fg0 h ASN 279 CO -0.01 0.62 -0.10 1.23 -1.65 0.00 0.00 177.43 177.52 3fg0 h GLY 280 N 0.75 0.68 1.51 2.83 0.00 -0.53 -2.97 103.07 105.34 3fg0 h GLY 280 Ca 0.19 -0.48 -0.28 0.00 0.00 0.00 0.00 47.33 46.76 3fg0 h GLY 280 CO -0.03 0.44 -1.34 -1.33 0.00 0.00 0.00 176.54 174.29 3fg0 h GLY 281 N 0.95 0.26 0.00 4.60 0.00 -0.59 0.12 103.07 108.42 3fg0 h GLY 281 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3fg0 h GLY 281 CO 0.03 0.59 0.00 -1.72 0.00 0.00 0.00 176.54 175.44 3fg0 n TYR 282 N -3.47 0.00 -1.79 5.60 4.01 0.32 -3.47 117.16 118.36 3fg0 n TYR 282 Ca -0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.22 3fg0 n TYR 282 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.04 3fg0 n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fg0 s PHE 283 N -0.31 2.70 -1.50 -0.72 0.08 -1.12 -1.62 117.98 115.49 3fg0 s PHE 283 Ca 0.00 0.90 -0.13 0.00 0.12 0.00 0.00 56.93 57.82 3fg0 s PHE 283 Cb 0.00 -4.05 0.09 0.00 -0.57 0.00 0.00 43.02 38.48 3fg0 s PHE 283 CO 0.00 -3.40 0.82 1.58 -0.10 0.00 0.00 175.22 174.11 3fg0 n HIS 284 N 1.65 -2.10 -2.88 0.36 -0.00 -1.26 -1.31 115.22 109.69 3fg0 n HIS 284 Ca 0.06 0.76 -0.18 0.00 0.46 0.00 0.00 57.72 58.82 3fg0 n HIS 284 Cb 0.38 -3.66 0.00 0.00 -0.12 0.00 0.00 29.99 26.60 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 -4.29 -0.91 -1.00 1.57 0.00 -0.64 -1.29 120.51 113.95 3fg0 n ALA 285 Ca 0.02 0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 3fg0 n ALA 285 Cb 0.53 -2.38 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.06 0.42 2.55 0.00 0.00 -0.42 -0.99 105.19 105.68 3fg0 n GLY 286 Ca -0.09 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.35 4.37 -4.43 1.61 6.02 -0.41 -3.64 117.38 118.54 3fg0 n GLN 287 Ca -0.00 -3.61 -0.22 0.00 -0.01 0.00 0.00 57.00 53.16 3fg0 n GLN 287 Cb 0.08 -2.49 -0.16 0.00 1.02 0.00 0.00 30.24 28.69 3fg0 n GLN 287 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fg0 s VAL 288 N -2.41 0.87 0.44 5.09 1.01 -1.26 -4.83 120.40 119.31 3fg0 s VAL 288 Ca 0.51 -0.37 0.17 0.00 0.00 0.00 0.00 61.98 62.28 3fg0 s VAL 288 Cb 0.23 -0.79 0.36 0.00 0.00 0.00 0.00 36.38 36.18 3fg0 s VAL 288 CO -0.15 0.28 1.93 0.00 0.00 0.00 0.00 175.10 177.16 3fg0 n SER 290 N -4.47 4.48 -4.64 0.00 3.41 -1.26 -3.45 113.62 107.69 3fg0 n SER 290 Ca 0.14 -2.33 -0.43 0.00 -0.26 0.00 0.00 58.87 55.98 3fg0 n SER 290 Cb 0.54 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.23 0.56 -2.35 7.33 0.00 -0.24 -4.86 120.51 122.17 3fg0 n ALA 291 Ca 0.25 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.62 3fg0 n ALA 291 Cb 0.81 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.00 4.69 0.16 0.00 0.00 0.43 -3.97 105.19 107.51 3fg0 n GLY 292 Ca 0.07 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 5.81 0.00 -3.81 1.61 4.64 -1.79 -3.36 113.55 116.65 3fg0 h SER 293 Ca 0.39 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.04 3fg0 h SER 293 Cb 0.64 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.35 3fg0 h SER 293 CO 1.61 0.00 -0.60 -0.60 -0.87 0.00 0.00 176.83 176.38 3fg0 s ARG 294 N -3.18 1.89 -0.12 4.77 3.52 -1.14 -1.21 118.95 123.49 3fg0 s ARG 294 Ca 0.09 -2.09 -0.21 0.00 -0.13 0.00 0.00 55.73 53.38 3fg0 s ARG 294 Cb 0.09 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 3fg0 s ARG 294 CO 0.62 -1.05 0.63 0.42 -0.81 0.00 0.00 175.30 175.11 3fg0 s ILE 295 N 0.62 5.07 -0.25 4.11 1.01 -0.03 -1.08 121.20 130.65 3fg0 s ILE 295 Ca 0.12 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.04 3fg0 s ILE 295 Cb -0.22 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.33 3fg0 s ILE 295 CO -0.05 0.23 -0.10 -0.76 0.00 0.00 0.00 174.94 174.26 3fg0 s LEU 296 N 1.07 3.22 -0.03 2.97 1.43 -0.30 -1.06 118.68 125.99 3fg0 s LEU 296 Ca 0.32 -1.11 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3fg0 s LEU 296 Cb -0.17 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3fg0 s LEU 296 CO 0.14 -0.15 -0.23 0.54 0.23 0.00 0.00 176.35 176.88 3fg0 s VAL 297 N 1.21 1.82 0.31 -1.59 0.11 -0.27 -0.04 120.40 121.95 3fg0 s VAL 297 Ca -0.04 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 57.75 3fg0 s VAL 297 Cb -0.18 -1.52 -0.11 0.00 -1.53 0.00 0.00 36.38 33.05 3fg0 s VAL 297 CO -0.06 0.51 1.49 -1.58 -3.33 0.00 0.00 175.10 172.13 3fg0 s GLN 298 N -0.44 4.18 0.39 1.54 0.74 -0.42 -1.67 119.66 123.99 3fg0 s GLN 298 Ca 0.06 2.46 0.14 0.00 0.05 0.00 0.00 55.36 58.07 3fg0 s GLN 298 Cb -0.10 -3.03 0.99 0.00 1.10 0.00 0.00 33.01 31.96 3fg0 s GLN 298 CO 0.00 -0.49 1.86 -0.91 -0.55 0.00 0.00 175.29 175.20 3fg0 h ASN 299 N 4.17 0.50 -0.07 6.67 -0.26 -1.19 -1.39 115.58 124.01 3fg0 h ASN 299 Ca -0.48 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.32 3fg0 h ASN 299 Cb 1.23 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 38.43 3fg0 h ASN 299 CO 0.73 0.22 0.05 0.77 -1.06 0.00 0.00 177.43 178.14 3fg0 h SER 300 N 0.51 0.00 -0.03 5.81 4.64 -1.89 -2.92 113.55 119.66 3fg0 h SER 300 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3fg0 h SER 300 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3fg0 h SER 300 CO -0.19 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.07 3fg0 n ILE 301 N -4.34 0.82 -0.18 0.95 -5.35 -0.60 -4.81 119.36 105.84 3fg0 n ILE 301 Ca -0.01 -0.91 -0.05 0.00 -0.27 0.00 0.00 62.75 61.51 3fg0 n ILE 301 Cb 0.16 0.60 0.05 0.00 -1.74 0.00 0.00 39.64 38.70 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 0.22 0.60 0.00 6.28 3.64 -1.16 0.20 116.57 126.35 3fg0 h LYS 302 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3fg0 h LYS 302 Cb 0.44 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3fg0 h LYS 302 CO 0.00 0.40 -0.00 -0.44 -2.27 0.00 0.00 179.45 177.13 3fg0 h ASP 303 N 0.62 -0.00 -0.62 4.20 3.32 -1.88 0.26 116.42 122.32 3fg0 h ASP 303 Ca 0.22 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.14 3fg0 h ASP 303 Cb 0.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3fg0 h ASP 303 CO -0.11 0.19 0.33 0.50 -1.72 0.00 0.00 179.24 178.43 3fg0 h LYS 304 N -0.20 0.59 -0.17 3.56 3.64 -1.85 -1.82 116.57 120.32 3fg0 h LYS 304 Ca -0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3fg0 h LYS 304 Cb 0.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3fg0 h LYS 304 CO 0.00 0.39 0.04 0.35 -2.27 0.00 0.00 179.45 177.96 3fg0 h PHE 305 N 0.61 0.29 -0.58 1.91 3.57 -0.36 -1.52 116.94 120.86 3fg0 h PHE 305 Ca 0.28 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3fg0 h PHE 305 Cb 0.19 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3fg0 h PHE 305 CO -0.09 0.42 0.33 0.93 -2.23 0.00 0.00 178.31 177.67 3fg0 h GLU 306 N 0.08 0.62 -0.40 1.11 5.08 -0.79 0.63 114.58 120.90 3fg0 h GLU 306 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3fg0 h GLU 306 Cb 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3fg0 h GLU 306 CO 0.00 0.41 0.23 0.37 -1.00 0.00 0.00 179.01 179.02 3fg0 h GLN 307 N 0.64 0.56 -0.44 2.33 5.75 -1.23 0.01 115.11 122.72 3fg0 h GLN 307 Ca 0.25 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 3fg0 h GLN 307 Cb 0.10 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3fg0 h GLN 307 CO -0.14 0.44 0.23 0.00 -2.65 0.00 0.00 178.83 176.71 3fg0 h ALA 308 N 1.09 0.57 -0.12 3.38 0.00 -0.83 -1.31 119.26 122.04 3fg0 h ALA 308 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 308 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3fg0 h ALA 308 CO -0.02 0.12 -0.01 1.25 0.00 0.00 0.00 179.25 180.58 3fg0 h LEU 309 N 0.58 0.21 -0.49 0.00 5.85 -0.67 -2.46 115.31 118.33 3fg0 h LEU 309 Ca 0.15 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fg0 h LEU 309 Cb 0.09 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3fg0 h LEU 309 CO -0.02 0.49 0.32 0.40 -0.34 0.00 0.00 178.44 179.29 3fg0 h ILE 310 N -0.08 1.13 -0.70 4.05 2.04 -0.88 0.54 117.51 123.61 3fg0 h ILE 310 Ca 0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3fg0 h ILE 310 Cb 0.39 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3fg0 h ILE 310 CO 0.01 0.12 0.37 -0.78 0.00 0.00 0.00 178.15 177.87 3fg0 h ASP 311 N 0.67 0.87 -0.17 1.72 3.58 -1.20 -2.41 116.42 119.47 3fg0 h ASP 311 Ca 0.18 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 3fg0 h ASP 311 Cb -0.07 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3fg0 h ASP 311 CO -0.04 0.71 -0.44 0.03 -2.88 0.00 0.00 179.24 176.62 3fg0 h ARG 312 N 0.98 0.73 -0.54 0.28 2.47 -0.86 -3.20 114.38 114.23 3fg0 h ARG 312 Ca 0.25 -0.40 -0.03 0.00 -1.26 0.00 0.00 59.98 58.54 3fg0 h ARG 312 Cb 0.04 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 3fg0 h ARG 312 CO -0.04 1.02 0.22 0.28 0.56 0.00 0.00 179.97 182.02 3fg0 h VAL 313 N 0.59 1.20 -0.01 2.04 2.07 -0.45 -0.73 116.25 120.96 3fg0 h VAL 313 Ca 0.04 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3fg0 h VAL 313 Cb 1.00 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3fg0 h VAL 313 CO 0.09 0.24 0.01 0.11 0.02 0.00 0.00 177.57 178.05 3fg0 h LYS 314 N 0.78 0.00 -0.02 1.57 1.57 -1.45 -2.80 116.57 116.22 3fg0 h LYS 314 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3fg0 h LYS 314 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3fg0 h LYS 314 CO -0.02 0.00 -0.32 1.63 -0.57 0.00 0.00 179.45 180.18 3fg0 n LYS 315 N -3.68 1.33 -1.69 3.15 5.02 -0.29 -4.96 118.16 117.04 3fg0 n LYS 315 Ca -0.03 -1.02 -0.44 0.00 -2.02 0.00 0.00 58.31 54.80 3fg0 n LYS 315 Cb 0.09 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 3fg0 n LYS 315 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3fg0 n ILE 316 N 0.05 0.14 -3.08 -0.18 5.41 -1.06 -4.93 119.36 115.71 3fg0 n ILE 316 Ca 0.11 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.42 3fg0 n ILE 316 Cb 0.45 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 3fg0 n ILE 316 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3fg0 s LYS 317 N 1.73 3.67 0.07 0.38 1.02 -1.26 -4.98 119.74 120.37 3fg0 s LYS 317 Ca 0.80 0.08 -0.10 0.00 0.02 0.00 0.00 55.97 56.76 3fg0 s LYS 317 Cb -0.57 -3.82 -0.06 0.00 -0.52 0.00 0.00 37.83 32.86 3fg0 s LYS 317 CO 0.37 -0.77 0.40 -0.51 -0.92 0.00 0.00 175.35 173.92 3fg0 s LEU 318 N 2.79 4.36 0.00 3.17 1.02 -1.26 -0.54 118.68 128.22 3fg0 s LEU 318 Ca 0.26 0.81 0.00 0.00 0.02 0.00 0.00 54.13 55.21 3fg0 s LEU 318 Cb -0.14 -2.96 0.00 0.00 0.02 0.00 0.00 46.19 43.11 3fg0 s LEU 318 CO 0.15 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.32 3fg0 n GLY 319 N 0.97 -0.85 3.70 -3.19 0.00 -0.98 -4.91 105.19 99.93 3fg0 n GLY 319 Ca -0.08 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 0.67 1.61 3.84 -1.26 -4.29 114.94 118.11 3fg0 s ASN 320 Ca 0.00 2.54 0.44 0.00 0.21 0.00 0.00 52.86 56.05 3fg0 s ASN 320 Cb 0.00 -2.58 2.41 0.00 -0.55 0.00 0.00 41.25 40.53 3fg0 s ASN 320 CO 0.00 -0.85 2.37 1.23 -2.79 0.00 0.00 177.10 177.06 3fg0 h GLY 321 N 7.66 0.00 1.74 1.21 0.00 -1.83 -0.55 103.07 111.31 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 0.92 0.00 -0.17 0.69 0.00 0.00 0.00 176.54 177.98 3fg0 n PHE 322 N -3.12 0.56 -3.04 5.60 3.72 -1.26 -1.14 117.46 118.77 3fg0 n PHE 322 Ca -0.03 0.16 -0.40 0.00 -0.05 0.00 0.00 57.45 57.13 3fg0 n PHE 322 Cb 0.07 -0.72 -0.05 0.00 -0.94 0.00 0.00 39.48 37.84 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 -3.98 6.93 0.49 4.37 -1.08 -0.21 -4.94 116.67 118.25 3fg0 s ASP 323 Ca 0.11 1.12 0.18 0.00 -0.52 0.00 0.00 52.55 53.43 3fg0 s ASP 323 Cb 0.15 -2.40 1.22 0.00 -1.46 0.00 0.00 42.92 40.42 3fg0 s ASP 323 CO 0.62 -0.18 2.05 0.00 0.52 0.00 0.00 175.17 178.17 3fg0 h ALA 324 N 6.97 2.16 0.00 3.66 0.00 -1.86 -1.99 119.26 128.19 3fg0 h ALA 324 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3fg0 h ALA 324 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg0 h ALA 324 CO 0.77 -0.24 0.00 -0.44 0.00 0.00 0.00 179.25 179.34 3fg0 h ASP 325 N 0.14 0.00 -3.26 0.00 3.32 -1.93 -3.46 116.42 111.25 3fg0 h ASP 325 Ca 0.17 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.69 3fg0 h ASP 325 Cb 0.48 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.10 3fg0 h ASP 325 CO -0.02 0.00 0.84 -0.89 -1.72 0.00 0.00 179.24 177.45 3fg0 s THR 326 N -3.16 2.38 -0.12 0.35 2.01 -0.75 -4.83 115.64 111.53 3fg0 s THR 326 Ca 0.09 0.31 0.12 0.00 0.31 0.00 0.00 61.69 62.53 3fg0 s THR 326 Cb 0.11 -3.20 -0.17 0.00 0.01 0.00 0.00 72.50 69.25 3fg0 s THR 326 CO 0.56 0.05 0.08 -0.62 -0.69 0.00 0.00 174.62 174.00 3fg0 n GLU 327 N 2.55 1.62 -3.72 4.92 1.02 0.30 -4.99 120.64 122.35 3fg0 n GLU 327 Ca 0.09 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 3fg0 n GLU 327 Cb 0.39 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.42 0.10 0.00 3.49 1.75 -0.55 -4.85 119.30 116.82 3fg0 s MET 328 Ca -0.06 0.47 0.00 0.00 -1.25 0.00 0.00 55.69 54.85 3fg0 s MET 328 Cb 0.05 -0.19 0.00 0.00 2.84 0.00 0.00 34.83 37.53 3fg0 s MET 328 CO 0.56 -0.21 0.00 0.41 -0.65 0.00 0.00 175.02 175.13 3fg0 n GLY 329 N 4.57 -0.19 3.88 2.11 0.00 -1.26 -2.32 105.19 111.98 3fg0 n GLY 329 Ca -0.19 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.42 1.23 0.67 1.61 0.04 -1.26 -4.69 135.00 130.18 3fg0 s PRO 330 Ca 0.00 -0.05 -0.05 0.00 0.04 0.00 0.00 61.00 60.94 3fg0 s PRO 330 Cb 0.00 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.72 3fg0 s PRO 330 CO 0.00 -2.07 0.96 0.14 0.04 0.00 0.00 177.00 176.07 3fg0 s VAL 331 N -3.61 2.36 0.16 -0.36 -7.23 0.17 -4.78 120.40 107.10 3fg0 s VAL 331 Ca 0.67 -0.37 0.02 0.00 -1.81 0.00 0.00 61.98 60.49 3fg0 s VAL 331 Cb -0.09 -2.99 -0.15 0.00 0.56 0.00 0.00 36.38 33.71 3fg0 s VAL 331 CO 0.51 0.00 1.37 -0.29 -0.31 0.00 0.00 175.10 176.38 3fg0 h ILE 332 N -0.46 1.48 -3.21 -0.62 6.09 -1.85 -3.43 117.51 115.52 3fg0 h ILE 332 Ca -0.44 -2.60 0.01 0.00 -1.37 0.00 0.00 64.86 60.46 3fg0 h ILE 332 Cb 1.31 2.46 -0.08 0.00 0.47 0.00 0.00 36.82 40.97 3fg0 h ILE 332 CO 0.58 0.76 0.10 -0.94 -3.07 0.00 0.00 178.15 175.58 3fg0 s SER 333 N -6.94 -0.27 0.18 2.19 1.04 -1.26 -4.72 113.70 103.91 3fg0 s SER 333 Ca -0.03 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 3fg0 s SER 333 Cb 0.10 0.64 0.14 0.00 0.10 0.00 0.00 66.02 66.99 3fg0 s SER 333 CO 0.83 -1.16 1.78 0.74 0.98 0.00 0.00 173.24 176.42 3fg0 h THR 334 N 2.11 0.95 -0.93 2.02 2.02 -1.97 -1.22 112.91 115.89 3fg0 h THR 334 Ca -0.26 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.78 3fg0 h THR 334 Cb 1.26 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3fg0 h THR 334 CO 0.32 0.09 0.61 -0.08 0.37 0.00 0.00 175.52 176.83 3fg0 h GLU 335 N 0.49 1.17 -0.13 6.66 4.81 -1.99 -0.31 114.58 125.28 3fg0 h GLU 335 Ca 0.22 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 3fg0 h GLU 335 Cb 0.14 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3fg0 h GLU 335 CO -0.16 0.77 -0.38 1.25 -0.73 0.00 0.00 179.01 179.76 3fg0 h HIS 336 N 1.20 0.64 -0.98 0.92 2.76 -1.87 -1.88 115.15 115.93 3fg0 h HIS 336 Ca 0.36 -0.25 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3fg0 h HIS 336 Cb -0.04 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 3fg0 h HIS 336 CO -0.01 1.00 0.65 -0.09 -1.30 0.00 0.00 177.93 178.18 3fg0 h ARG 337 N 0.09 1.26 -0.69 5.26 2.43 -1.12 -1.62 114.38 119.99 3fg0 h ARG 337 Ca -0.01 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3fg0 h ARG 337 Cb 1.00 -0.28 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3fg0 h ARG 337 CO 0.08 0.83 0.40 -0.91 -1.51 0.00 0.00 179.97 178.86 3fg0 h ASN 338 N 1.30 0.60 -0.19 -3.80 2.35 -0.93 -0.08 115.58 114.83 3fg0 h ASN 338 Ca 0.37 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.17 3fg0 h ASN 338 Cb -0.09 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3fg0 h ASN 338 CO -0.10 0.39 0.04 0.50 -1.65 0.00 0.00 177.43 176.62 3fg0 h LYS 339 N 0.74 0.12 -0.28 0.81 3.64 -0.69 -0.51 116.57 120.40 3fg0 h LYS 339 Ca 0.30 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3fg0 h LYS 339 Cb 0.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3fg0 h LYS 339 CO -0.17 0.08 0.18 0.82 -2.27 0.00 0.00 179.45 178.09 3fg0 h ILE 340 N 0.12 1.06 -0.95 2.00 2.04 -0.83 -1.39 117.51 119.56 3fg0 h ILE 340 Ca 0.08 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3fg0 h ILE 340 Cb 0.07 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3fg0 h ILE 340 CO -0.10 0.07 0.63 -0.33 0.00 0.00 0.00 178.15 178.41 3fg0 h GLU 341 N 0.36 1.21 -0.07 2.37 5.08 -0.85 -1.70 114.58 120.99 3fg0 h GLU 341 Ca 0.10 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3fg0 h GLU 341 Cb -0.03 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 3fg0 h GLU 341 CO -0.03 0.80 -0.33 0.66 -1.00 0.00 0.00 179.01 179.11 3fg0 h SER 342 N 1.24 0.12 0.56 1.42 4.64 -0.42 -2.33 113.55 118.79 3fg0 h SER 342 Ca 0.37 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 3fg0 h SER 342 Cb -0.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3fg0 h SER 342 CO -0.10 0.45 -0.29 1.88 -0.87 0.00 0.00 176.83 177.90 3fg0 h TYR 343 N 0.11 0.00 -0.44 4.77 0.05 -0.35 -1.31 116.97 119.81 3fg0 h TYR 343 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3fg0 h TYR 343 Cb 0.64 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 3fg0 h TYR 343 CO 0.01 0.29 0.17 0.52 -1.05 0.00 0.00 178.16 178.09 3fg0 h MET 344 N 0.00 0.66 -0.83 4.88 2.86 -1.06 0.19 114.93 121.63 3fg0 h MET 344 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3fg0 h MET 344 Cb 0.65 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 3fg0 h MET 344 CO 0.04 0.61 0.38 -0.44 1.06 0.00 0.00 176.91 178.56 3fg0 h ASP 345 N 0.56 1.11 -0.35 1.22 3.32 -1.40 -1.00 116.42 119.88 3fg0 h ASP 345 Ca 0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3fg0 h ASP 345 Cb 0.21 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3fg0 h ASP 345 CO -0.01 0.95 0.17 0.58 -1.72 0.00 0.00 179.24 179.21 3fg0 h VAL 346 N 1.20 1.16 -0.22 -1.35 2.07 -0.94 -1.62 116.25 116.56 3fg0 h VAL 346 Ca 0.28 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fg0 h VAL 346 Cb 0.15 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3fg0 h VAL 346 CO -0.03 0.17 0.14 0.00 0.02 0.00 0.00 177.57 177.87 3fg0 h ALA 347 N 1.02 0.27 -0.69 1.67 0.00 -0.63 -1.90 119.26 119.01 3fg0 h ALA 347 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fg0 h ALA 347 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3fg0 h ALA 347 CO -0.02 -0.25 0.39 0.87 0.00 0.00 0.00 179.25 180.25 3fg0 h LYS 348 N 0.29 0.94 0.00 0.00 1.57 -1.12 -1.24 116.57 117.02 3fg0 h LYS 348 Ca 0.08 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3fg0 h LYS 348 Cb -0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3fg0 h LYS 348 CO -0.02 0.69 -0.42 0.00 -0.57 0.00 0.00 179.45 179.14 3fg0 h ALA 349 N 1.20 1.22 -0.01 3.86 0.00 -1.08 -2.22 119.26 122.23 3fg0 h ALA 349 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fg0 h ALA 349 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fg0 h ALA 349 CO -0.04 0.52 -0.02 -0.85 0.00 0.00 0.00 179.25 178.86 3fg0 n GLU 350 N -3.92 1.15 -0.04 0.00 0.28 -0.73 -4.94 120.64 112.44 3fg0 n GLU 350 Ca -0.01 -0.35 0.00 0.00 -0.16 0.00 0.00 57.16 56.64 3fg0 n GLU 350 Cb 0.46 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 1.11 0.78 3.85 -1.84 0.00 -0.84 -5.05 105.19 103.20 3fg0 n GLY 351 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.03 2.81 -0.16 4.61 0.00 -0.49 -4.89 121.76 121.61 3fg0 s ALA 352 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 3fg0 s ALA 352 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3fg0 s ALA 352 CO 0.00 -1.10 0.03 0.99 0.00 0.00 0.00 175.76 175.69 3fg0 s THR 353 N -3.19 4.56 -0.62 0.00 2.01 -0.02 -4.38 115.64 114.01 3fg0 s THR 353 Ca 0.57 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.20 3fg0 s THR 353 Cb -0.12 -3.02 0.05 0.00 0.01 0.00 0.00 72.50 69.41 3fg0 s THR 353 CO 0.54 0.49 1.04 -0.63 -0.69 0.00 0.00 174.62 175.36 3fg0 s ILE 354 N 0.19 4.21 0.04 1.82 -1.09 -1.26 -0.91 121.20 124.19 3fg0 s ILE 354 Ca 0.03 0.21 0.10 0.00 -2.23 0.00 0.00 60.65 58.75 3fg0 s ILE 354 Cb -0.13 -4.67 -0.15 0.00 -1.58 0.00 0.00 42.46 35.94 3fg0 s ILE 354 CO 0.01 -1.36 1.25 0.00 -1.23 0.00 0.00 174.94 173.61 3fg0 h ALA 355 N 9.53 0.47 -1.88 9.38 0.00 -1.42 -3.47 119.26 131.88 3fg0 h ALA 355 Ca -0.27 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 53.77 3fg0 h ALA 355 Cb 1.07 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.57 3fg0 h ALA 355 CO 1.16 1.12 0.28 0.54 0.00 0.00 0.00 179.25 182.35 3fg0 s VAL 356 N -2.77 0.00 0.00 0.00 0.11 -1.21 -4.97 120.40 111.56 3fg0 s VAL 356 Ca 0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 3fg0 s VAL 356 Cb 0.09 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 3fg0 s VAL 356 CO 0.80 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.18 3fg0 n GLY 357 N 1.24 0.55 2.08 6.54 0.00 -1.25 -2.53 105.19 111.81 3fg0 n GLY 357 Ca -0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 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 0.42 3.53 -0.02 0.00 -1.26 -5.00 105.19 102.87 3fg0 n GLY 358 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.29 1.41 0.41 1.61 -2.85 -1.26 -5.02 119.74 110.75 3fg0 s LYS 359 Ca 0.00 -0.65 -0.24 0.00 -1.00 0.00 0.00 55.97 54.08 3fg0 s LYS 359 Cb 0.00 0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 36.27 3fg0 s LYS 359 CO 0.00 -0.62 1.13 1.03 0.10 0.00 0.00 175.35 176.98 3fg0 s ARG 360 N -3.81 4.04 0.59 1.78 0.52 -1.26 -1.51 118.95 119.30 3fg0 s ARG 360 Ca 0.04 1.72 -0.16 0.00 -0.52 0.00 0.00 55.73 56.81 3fg0 s ARG 360 Cb -0.02 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3fg0 s ARG 360 CO -0.07 -0.30 1.05 -1.25 0.02 0.00 0.00 175.30 174.75 3fg0 s PRO 361 N -2.42 3.37 0.00 3.54 0.04 -1.26 -4.85 135.00 133.42 3fg0 s PRO 361 Ca 0.58 1.17 0.22 0.00 0.04 0.00 0.00 61.00 63.01 3fg0 s PRO 361 Cb -0.27 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.03 3fg0 s PRO 361 CO 0.34 -0.76 0.79 -0.25 0.04 0.00 0.00 177.00 177.16 3fg0 n ASP 362 N -2.02 0.57 -4.63 6.66 8.00 -1.26 -4.69 116.55 119.17 3fg0 n ASP 362 Ca 0.08 -0.46 -0.45 0.00 0.71 0.00 0.00 54.79 54.67 3fg0 n ASP 362 Cb 0.53 1.28 -0.02 0.00 -0.02 0.00 0.00 41.12 42.89 3fg0 n ASP 362 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3fg0 n ARG 363 N -1.87 1.66 -0.27 -1.24 0.63 -1.26 -4.69 116.66 109.62 3fg0 n ARG 363 Ca 0.01 0.59 0.08 0.00 -0.92 0.00 0.00 57.85 57.61 3fg0 n ARG 363 Cb 0.44 -2.09 0.22 0.00 0.45 0.00 0.00 32.46 31.47 3fg0 n ARG 363 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3fg0 h ASP 364 N 2.89 0.11 0.88 6.15 3.32 -2.01 -0.31 116.42 127.45 3fg0 h ASP 364 Ca -0.43 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3fg0 h ASP 364 Cb 1.31 0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.04 3fg0 h ASP 364 CO 0.66 -0.03 0.00 -0.90 -1.72 0.00 0.00 179.24 177.26 3fg0 n ASP 365 N -5.12 0.11 -0.62 6.45 5.75 -1.26 -2.83 116.55 119.03 3fg0 n ASP 365 Ca 0.17 0.52 0.10 0.00 -0.01 0.00 0.00 54.79 55.57 3fg0 n ASP 365 Cb 0.52 -0.54 0.03 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.61 2.27 0.12 -2.12 4.77 -0.16 -4.63 117.00 115.63 3fg0 n LEU 366 Ca 0.06 -0.86 -0.03 0.00 -0.03 0.00 0.00 56.01 55.15 3fg0 n LEU 366 Cb 0.29 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.49 3fg0 n LEU 366 CO 0.23 0.41 0.42 0.50 -1.33 0.00 0.00 177.39 177.62 3fg0 h LYS 367 N 3.05 0.02 0.00 3.23 3.64 -1.30 -3.12 116.57 122.09 3fg0 h LYS 367 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3fg0 h LYS 367 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3fg0 h LYS 367 CO 0.00 0.70 -0.33 -0.44 -2.27 0.00 0.00 179.45 177.12 3fg0 h ASP 368 N 0.01 0.00 -1.81 4.20 3.32 -1.82 -3.47 116.42 116.86 3fg0 h ASP 368 Ca -0.01 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.58 3fg0 h ASP 368 Cb 1.23 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.83 3fg0 h ASP 368 CO 0.09 0.33 -0.03 -0.83 -1.72 0.00 0.00 179.24 177.08 3fg0 s GLY 369 N -4.35 1.80 -0.79 2.75 0.00 -1.07 -3.95 107.32 101.70 3fg0 s GLY 369 Ca 0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 44.72 42.98 3fg0 s GLY 369 CO 0.69 -1.31 2.59 1.04 0.00 0.00 0.00 173.10 176.11 3fg0 n LEU 370 N -2.42 7.10 -4.86 0.66 4.77 -0.63 -4.97 117.00 116.65 3fg0 n LEU 370 Ca 0.12 -4.43 -0.32 0.00 -0.03 0.00 0.00 56.01 51.36 3fg0 n LEU 370 Cb 0.60 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.37 3fg0 n LEU 370 CO 0.42 1.86 0.41 -0.36 -1.33 0.00 0.00 177.39 178.39 3fg0 s PHE 371 N -1.66 3.41 -0.07 -1.77 0.40 -1.26 -0.65 117.98 116.37 3fg0 s PHE 371 Ca 0.56 1.13 -0.04 0.00 -0.60 0.00 0.00 56.93 57.99 3fg0 s PHE 371 Cb 0.31 -2.48 0.04 0.00 0.51 0.00 0.00 43.02 41.39 3fg0 s PHE 371 CO -0.18 0.05 0.16 0.12 0.70 0.00 0.00 175.22 176.07 3fg0 s PHE 372 N -2.09 -0.19 0.39 0.36 5.36 -1.26 -4.35 117.98 116.19 3fg0 s PHE 372 Ca 0.53 0.53 -0.26 0.00 -0.96 0.00 0.00 56.93 56.76 3fg0 s PHE 372 Cb -0.10 -0.04 -0.09 0.00 -0.34 0.00 0.00 43.02 42.45 3fg0 s PHE 372 CO 0.22 -0.17 1.27 -1.21 -1.46 0.00 0.00 175.22 173.87 3fg0 s GLU 373 N 1.04 4.05 0.26 10.12 2.02 -0.57 -4.88 118.70 130.74 3fg0 s GLU 373 Ca -0.08 2.08 -0.31 0.00 0.02 0.00 0.00 54.97 56.68 3fg0 s GLU 373 Cb -0.10 -2.79 -0.12 0.00 0.10 0.00 0.00 34.13 31.23 3fg0 s GLU 373 CO -0.06 -0.40 1.64 -1.25 0.02 0.00 0.00 175.26 175.22 3fg0 s PRO 374 N -2.17 4.12 -0.02 0.39 0.04 -1.26 -4.23 135.00 131.87 3fg0 s PRO 374 Ca 0.56 2.59 0.05 0.00 0.04 0.00 0.00 61.00 64.23 3fg0 s PRO 374 Cb -0.36 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 3fg0 s PRO 374 CO 0.47 -0.68 -0.16 0.99 0.04 0.00 0.00 177.00 177.66 3fg0 s THR 375 N 0.43 1.30 -0.10 1.26 2.01 0.12 -3.86 115.64 116.79 3fg0 s THR 375 Ca 0.67 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 62.02 3fg0 s THR 375 Cb -0.48 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 70.94 3fg0 s THR 375 CO 0.42 0.37 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.81 3fg0 s VAL 376 N -0.30 1.96 -0.19 3.82 1.01 -1.05 -1.90 120.40 123.74 3fg0 s VAL 376 Ca 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3fg0 s VAL 376 Cb -0.07 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3fg0 s VAL 376 CO -0.00 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 3fg0 s ILE 377 N 0.44 3.06 0.51 2.22 1.01 0.38 -0.95 121.20 127.86 3fg0 s ILE 377 Ca -0.17 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.90 3fg0 s ILE 377 Cb -0.17 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 3fg0 s ILE 377 CO 0.07 0.47 0.14 0.42 0.00 0.00 0.00 174.94 176.04 3fg0 s THR 378 N 1.20 1.44 -1.25 2.92 -4.23 -0.09 -1.29 115.64 114.34 3fg0 s THR 378 Ca 0.02 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3fg0 s THR 378 Cb -0.14 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.43 3fg0 s THR 378 CO -0.03 0.00 0.83 0.59 -0.54 0.00 0.00 174.62 175.47 3fg0 n ASN 379 N -1.40 -1.74 -4.33 3.99 3.02 -1.26 -0.84 115.26 112.70 3fg0 n ASN 379 Ca -0.12 -0.74 -0.23 0.00 -0.03 0.00 0.00 54.58 53.47 3fg0 n ASN 379 Cb 0.66 -4.52 -0.10 0.00 -0.61 0.00 0.00 39.78 35.21 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 -3.52 -0.02 0.62 0.00 1.47 -1.26 -4.81 116.67 109.14 3fg0 s ASP 381 Ca 0.31 -0.96 0.41 0.00 1.18 0.00 0.00 52.55 53.49 3fg0 s ASP 381 Cb 0.06 0.51 2.16 0.00 -0.34 0.00 0.00 42.92 45.31 3fg0 s ASP 381 CO 0.15 -1.02 2.25 0.00 0.68 0.00 0.00 175.17 177.23 3fg0 h THR 382 N 2.39 0.00 0.00 2.11 1.03 -1.98 -0.98 112.91 115.49 3fg0 h THR 382 Ca -0.29 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 3fg0 h THR 382 Cb 1.24 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 3fg0 h THR 382 CO 0.42 0.00 0.00 0.77 -0.01 0.00 0.00 175.52 176.70 3fg0 h SER 383 N 0.00 0.00 -3.94 0.00 4.64 -1.97 -3.43 113.55 108.85 3fg0 h SER 383 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3fg0 h SER 383 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3fg0 h SER 383 CO 0.00 0.00 0.36 -0.04 -0.87 0.00 0.00 176.83 176.28 3fg0 s MET 384 N -3.25 4.42 0.37 4.77 -1.94 -0.37 -4.96 119.30 118.35 3fg0 s MET 384 Ca 0.07 1.32 0.06 0.00 -1.71 0.00 0.00 55.69 55.42 3fg0 s MET 384 Cb 0.10 -2.61 0.73 0.00 2.01 0.00 0.00 34.83 35.06 3fg0 s MET 384 CO 0.52 0.13 1.96 0.00 -0.01 0.00 0.00 175.02 177.62 3fg0 h ARG 385 N 2.75 0.52 0.00 2.03 3.08 -1.89 -1.93 114.38 118.94 3fg0 h ARG 385 Ca -0.48 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.46 3fg0 h ARG 385 Cb 1.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3fg0 h ARG 385 CO 0.64 0.46 -0.19 0.97 -1.07 0.00 0.00 179.97 180.77 3fg0 h ILE 386 N 0.51 0.81 0.09 2.04 6.09 -1.91 -0.27 117.51 124.87 3fg0 h ILE 386 Ca 0.12 -0.76 -0.31 0.00 -1.37 0.00 0.00 64.86 62.54 3fg0 h ILE 386 Cb 0.15 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 38.88 3fg0 h ILE 386 CO -0.01 0.19 -1.67 0.58 -3.07 0.00 0.00 178.15 174.17 3fg0 h VAL 387 N 0.00 0.97 0.06 2.19 2.07 -1.70 -3.39 116.25 116.46 3fg0 h VAL 387 Ca -0.00 -2.68 -0.26 0.00 0.82 0.00 0.00 66.70 64.58 3fg0 h VAL 387 Cb 0.44 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3fg0 h VAL 387 CO 0.03 0.77 -1.28 1.56 0.02 0.00 0.00 177.57 178.66 3fg0 h GLN 388 N 0.05 0.13 -5.84 1.57 1.08 -1.06 -3.47 115.11 107.57 3fg0 h GLN 388 Ca -0.29 -0.22 -0.63 0.00 -1.45 0.00 0.00 58.65 56.06 3fg0 h GLN 388 Cb 2.01 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 29.48 3fg0 h GLN 388 CO 0.13 1.01 -0.50 -1.21 -0.95 0.00 0.00 178.83 177.31 3fg0 s GLU 389 N -2.66 3.43 -0.46 1.46 2.02 -0.14 -4.81 118.70 117.55 3fg0 s GLU 389 Ca -0.03 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 3fg0 s GLU 389 Cb 0.08 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.26 3fg0 s GLU 389 CO 0.84 0.66 1.25 -2.00 0.02 0.00 0.00 175.26 176.03 3fg0 s GLU 390 N -2.07 3.65 0.00 1.61 2.12 -1.26 -4.87 118.70 117.88 3fg0 s GLU 390 Ca 0.29 0.69 -0.02 0.00 0.36 0.00 0.00 54.97 56.29 3fg0 s GLU 390 Cb -0.13 -3.96 -0.27 0.00 0.26 0.00 0.00 34.13 30.03 3fg0 s GLU 390 CO 0.21 -1.48 0.86 0.28 -0.54 0.00 0.00 175.26 174.59 3fg0 h VAL 391 N 6.33 1.15 -5.12 3.70 2.07 -1.91 -3.48 116.25 118.99 3fg0 h VAL 391 Ca -0.25 -2.80 -0.37 0.00 0.82 0.00 0.00 66.70 64.09 3fg0 h VAL 391 Cb 1.08 2.75 0.11 0.00 -1.52 0.00 0.00 31.29 33.70 3fg0 h VAL 391 CO 1.12 0.81 -0.61 0.33 0.02 0.00 0.00 177.57 179.23 3fg0 n PHE 392 N -3.44 -2.44 -4.18 1.57 7.35 -1.26 -4.79 117.46 110.27 3fg0 n PHE 392 Ca -0.16 0.81 -0.11 0.00 -0.76 0.00 0.00 57.45 57.23 3fg0 n PHE 392 Cb 1.04 -4.63 -0.04 0.00 0.35 0.00 0.00 39.48 36.20 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 -1.79 3.52 2.60 7.13 0.00 -1.24 -4.14 105.19 111.26 3fg0 n GLY 393 Ca -0.03 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.37 3.37 -3.76 1.61 -0.04 -0.17 -4.11 135.00 131.54 3fg0 n PRO 394 Ca 0.02 -2.68 -0.14 0.00 -0.04 0.00 0.00 63.50 60.66 3fg0 n PRO 394 Cb 0.31 -3.03 -0.15 0.00 -0.04 0.00 0.00 33.50 30.59 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 2.13 -0.05 0.11 0.52 1.01 -1.26 -0.70 120.40 122.15 3fg0 s VAL 395 Ca 0.54 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.78 3fg0 s VAL 395 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 3fg0 s VAL 395 CO -0.07 0.08 -0.18 0.68 0.00 0.00 0.00 175.10 175.61 3fg0 s VAL 396 N 1.10 1.54 0.12 2.92 -7.23 -0.80 -4.70 120.40 113.36 3fg0 s VAL 396 Ca -0.09 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 3fg0 s VAL 396 Cb -0.12 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3fg0 s VAL 396 CO -0.05 -0.18 0.01 0.42 -0.31 0.00 0.00 175.10 174.99 3fg0 s THR 397 N -1.45 3.97 -0.11 5.32 -4.23 -0.35 -0.47 115.64 118.32 3fg0 s THR 397 Ca 0.06 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 3fg0 s THR 397 Cb -0.09 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.83 3fg0 s THR 397 CO 0.04 0.02 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.30 3fg0 s VAL 398 N -1.49 1.48 0.08 2.29 1.01 -0.41 -0.85 120.40 122.51 3fg0 s VAL 398 Ca 0.27 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.71 3fg0 s VAL 398 Cb -0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3fg0 s VAL 398 CO 0.19 0.44 -0.24 -1.61 0.00 0.00 0.00 175.10 173.88 3fg0 s GLU 399 N 1.08 1.44 0.21 2.72 2.02 -0.22 -4.31 118.70 121.63 3fg0 s GLU 399 Ca -0.05 -1.13 -0.02 0.00 0.02 0.00 0.00 54.97 53.80 3fg0 s GLU 399 Cb -0.15 -1.69 -0.05 0.00 0.10 0.00 0.00 34.13 32.35 3fg0 s GLU 399 CO -0.03 0.42 0.42 0.20 0.02 0.00 0.00 175.26 176.29 3fg0 s GLY 400 N -1.56 1.86 0.05 -1.39 0.00 -1.26 -1.12 107.32 103.91 3fg0 s GLY 400 Ca 0.10 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.11 3fg0 s GLY 400 CO 0.03 -0.68 -0.09 -0.11 0.00 0.00 0.00 173.10 172.26 3fg0 s PHE 401 N -1.88 0.79 -0.14 1.90 -0.12 -0.67 -4.85 117.98 113.01 3fg0 s PHE 401 Ca 0.40 -0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 56.59 3fg0 s PHE 401 Cb -0.11 -0.46 -0.24 0.00 -0.63 0.00 0.00 43.02 41.57 3fg0 s PHE 401 CO 0.29 -0.06 0.38 1.49 -0.05 0.00 0.00 175.22 177.26 3fg0 h GLU 402 N 4.27 0.17 -5.04 1.99 4.57 -1.94 0.55 114.58 119.14 3fg0 h GLU 402 Ca -0.37 -0.29 -0.39 0.00 -1.18 0.00 0.00 59.36 57.13 3fg0 h GLU 402 Cb 1.20 0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 29.75 3fg0 h GLU 402 CO 0.44 1.14 -0.63 0.95 -1.18 0.00 0.00 179.01 179.72 3fg0 s THR 403 N -2.47 0.89 0.24 0.32 -4.23 -1.26 -4.79 115.64 104.34 3fg0 s THR 403 Ca -0.24 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.21 3fg0 s THR 403 Cb 0.06 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.53 3fg0 s THR 403 CO 0.71 -0.13 1.81 -0.08 -0.54 0.00 0.00 174.62 176.39 3fg0 h GLU 404 N 2.35 0.75 -0.79 3.99 4.81 -2.00 -0.96 114.58 122.73 3fg0 h GLU 404 Ca -0.39 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.76 3fg0 h GLU 404 Cb 1.24 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3fg0 h GLU 404 CO 0.65 0.49 0.35 1.96 -0.73 0.00 0.00 179.01 181.73 3fg0 h GLN 405 N 0.77 1.16 -0.46 1.92 7.50 -2.00 -2.24 115.11 121.76 3fg0 h GLN 405 Ca 0.38 -0.19 -0.11 0.00 0.50 0.00 0.00 58.65 59.22 3fg0 h GLN 405 Cb 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 3fg0 h GLN 405 CO -0.23 0.92 -0.16 1.49 -1.50 0.00 0.00 178.83 179.34 3fg0 h GLU 406 N 1.14 0.88 -0.30 1.46 4.81 -1.75 -1.90 114.58 118.91 3fg0 h GLU 406 Ca 0.27 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3fg0 h GLU 406 Cb 0.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3fg0 h GLU 406 CO -0.03 0.97 0.17 0.00 -0.73 0.00 0.00 179.01 179.39 3fg0 h ALA 407 N 1.04 0.37 -0.40 2.92 0.00 -0.86 -0.05 119.26 122.27 3fg0 h ALA 407 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fg0 h ALA 407 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3fg0 h ALA 407 CO 0.05 -0.21 0.25 0.82 0.00 0.00 0.00 179.25 180.16 3fg0 h ILE 408 N 0.35 1.12 -0.23 0.00 2.04 -1.33 0.29 117.51 119.75 3fg0 h ILE 408 Ca 0.12 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3fg0 h ILE 408 Cb 0.01 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3fg0 h ILE 408 CO -0.07 0.12 0.15 -0.61 0.00 0.00 0.00 178.15 177.75 3fg0 h GLN 409 N 0.53 0.31 -0.43 2.37 4.15 -0.97 -0.92 115.11 120.15 3fg0 h GLN 409 Ca 0.14 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 3fg0 h GLN 409 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3fg0 h GLN 409 CO -0.03 0.22 -0.05 -0.07 -1.93 0.00 0.00 178.83 176.97 3fg0 h LEU 410 N 0.31 0.80 -1.12 -2.39 3.38 -0.90 -2.41 115.31 112.97 3fg0 h LEU 410 Ca 0.08 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3fg0 h LEU 410 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3fg0 h LEU 410 CO -0.02 0.94 0.07 0.00 0.09 0.00 0.00 178.44 179.53 3fg0 h ALA 411 N 0.88 1.28 -0.00 1.53 0.00 -0.65 -1.66 119.26 120.64 3fg0 h ALA 411 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fg0 h ALA 411 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fg0 h ALA 411 CO 0.03 0.49 -0.09 0.09 0.00 0.00 0.00 179.25 179.77 3fg0 n ASN 412 N -4.28 0.54 -3.80 0.00 5.03 -0.37 -4.52 115.26 107.85 3fg0 n ASN 412 Ca 0.03 -0.70 -0.42 0.00 0.87 0.00 0.00 54.58 54.35 3fg0 n ASN 412 Cb 0.23 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 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 -0.85 5.56 -3.79 6.41 2.03 -0.63 -4.83 116.55 120.46 3fg0 n ASP 413 Ca 0.16 -3.12 -0.09 0.00 0.52 0.00 0.00 54.79 52.26 3fg0 n ASP 413 Cb 0.27 -1.46 -0.04 0.00 -0.72 0.00 0.00 41.12 39.17 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 0.75 -0.22 0.14 1.67 1.04 -1.26 -4.98 113.70 110.83 3fg0 s SER 414 Ca 0.42 -0.56 0.26 0.00 0.48 0.00 0.00 55.95 56.55 3fg0 s SER 414 Cb 0.11 0.58 0.95 0.00 0.10 0.00 0.00 66.02 67.76 3fg0 s SER 414 CO -0.01 -1.07 1.80 2.30 0.98 0.00 0.00 173.24 177.24 3fg0 n ILE 415 N -0.35 0.46 -2.72 -1.02 -5.35 -1.26 -4.91 119.36 104.22 3fg0 n ILE 415 Ca -0.08 -0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.06 3fg0 n ILE 415 Cb 0.62 -0.64 0.09 0.00 -1.74 0.00 0.00 39.64 37.96 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 -3.09 1.72 -0.27 4.28 2.02 -1.26 -0.94 117.35 119.81 3fg0 s TYR 416 Ca 0.11 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3fg0 s TYR 416 Cb 0.14 -2.75 0.13 0.00 -0.40 0.00 0.00 41.96 39.08 3fg0 s TYR 416 CO 0.54 -1.44 1.04 0.41 -1.57 0.00 0.00 175.55 174.53 3fg0 n GLY 417 N -2.60 -0.20 0.06 0.71 0.00 -1.18 -4.73 105.19 97.25 3fg0 n GLY 417 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3fg0 n GLY 417 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fg0 h LEU 418 N 1.02 0.00 -7.76 0.99 5.85 -1.81 0.12 115.31 113.72 3fg0 h LEU 418 Ca -0.41 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3fg0 h LEU 418 Cb 1.21 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 3fg0 h LEU 418 CO -0.15 0.59 -0.06 0.00 -0.34 0.00 0.00 178.44 178.48 3fg0 s ALA 419 N -2.76 -0.71 -0.06 1.25 0.00 -1.26 -1.55 121.76 116.67 3fg0 s ALA 419 Ca -0.10 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.16 3fg0 s ALA 419 Cb 0.01 0.84 0.13 0.00 0.00 0.00 0.00 23.12 24.10 3fg0 s ALA 419 CO 0.15 -0.76 1.28 0.20 0.00 0.00 0.00 175.76 176.64 3fg0 s GLY 420 N -2.89 -0.39 0.15 0.00 0.00 -0.80 -3.83 107.32 99.56 3fg0 s GLY 420 Ca 0.11 0.93 0.07 0.00 0.00 0.00 0.00 44.72 45.83 3fg0 s GLY 420 CO -0.03 0.22 -0.15 0.00 0.00 0.00 0.00 173.10 173.15 3fg0 s ALA 421 N -2.40 1.73 -0.10 3.20 0.00 -0.53 -0.87 121.76 122.78 3fg0 s ALA 421 Ca 0.13 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 3fg0 s ALA 421 Cb 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3fg0 s ALA 421 CO -0.04 0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.85 3fg0 s VAL 422 N -2.30 0.97 -0.26 0.00 1.01 0.14 -1.28 120.40 118.68 3fg0 s VAL 422 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3fg0 s VAL 422 Cb -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3fg0 s VAL 422 CO 0.05 0.35 0.05 -0.36 0.00 0.00 0.00 175.10 175.19 3fg0 s PHE 423 N 1.56 3.09 -0.27 5.22 0.08 0.24 -0.63 117.98 127.27 3fg0 s PHE 423 Ca 0.02 -0.78 -0.26 0.00 0.12 0.00 0.00 56.93 56.03 3fg0 s PHE 423 Cb -0.13 -2.22 0.12 0.00 -0.57 0.00 0.00 43.02 40.23 3fg0 s PHE 423 CO -0.06 -0.50 1.03 0.45 -0.10 0.00 0.00 175.22 176.04 3fg0 s SER 424 N 1.53 -0.44 0.00 1.36 0.15 -1.26 -1.72 113.70 113.32 3fg0 s SER 424 Ca 0.05 0.81 0.28 0.00 0.70 0.00 0.00 55.95 57.79 3fg0 s SER 424 Cb -0.16 0.81 1.35 0.00 -1.71 0.00 0.00 66.02 66.32 3fg0 s SER 424 CO 0.02 -0.17 1.94 0.29 1.20 0.00 0.00 173.24 176.52 3fg0 n LYS 425 N 2.06 0.30 -2.98 5.44 5.02 -0.46 -4.38 118.16 123.15 3fg0 n LYS 425 Ca -0.12 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.75 3fg0 n LYS 425 Cb 0.56 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3fg0 n LYS 425 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fg0 s ASP 426 N -2.67 6.51 0.24 4.39 -1.08 -1.26 -4.90 116.67 117.89 3fg0 s ASP 426 Ca 0.23 -1.87 -0.05 0.00 -0.52 0.00 0.00 52.55 50.34 3fg0 s ASP 426 Cb 0.19 -2.37 0.25 0.00 -1.46 0.00 0.00 42.92 39.52 3fg0 s ASP 426 CO 0.44 -1.08 1.80 0.40 0.52 0.00 0.00 175.17 177.26 3fg0 h ILE 427 N 5.75 1.25 -0.37 4.11 1.08 -2.00 -0.65 117.51 126.69 3fg0 h ILE 427 Ca 0.02 -0.80 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 3fg0 h ILE 427 Cb 1.04 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 3fg0 h ILE 427 CO 1.08 0.32 0.09 1.23 -0.69 0.00 0.00 178.15 180.19 3fg0 h GLY 428 N 1.10 0.45 0.98 5.37 0.00 -1.96 0.08 103.07 109.09 3fg0 h GLY 428 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3fg0 h GLY 428 CO -0.02 -0.01 0.07 1.70 0.00 0.00 0.00 176.54 178.29 3fg0 h LYS 429 N 0.23 0.16 -0.92 4.80 3.64 -1.88 -1.60 116.57 120.98 3fg0 h LYS 429 Ca 0.18 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 3fg0 h LYS 429 Cb 0.19 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 3fg0 h LYS 429 CO -0.21 0.13 0.57 0.00 -2.27 0.00 0.00 179.45 177.67 3fg0 h ALA 430 N 1.02 1.34 -0.56 5.00 0.00 -0.67 -1.29 119.26 124.10 3fg0 h ALA 430 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3fg0 h ALA 430 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fg0 h ALA 430 CO -0.01 0.23 0.23 1.96 0.00 0.00 0.00 179.25 181.66 3fg0 h GLN 431 N 0.96 0.84 -0.18 0.00 4.20 -0.66 0.12 115.11 120.39 3fg0 h GLN 431 Ca 0.44 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 59.02 3fg0 h GLN 431 Cb 0.35 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3fg0 h GLN 431 CO -0.23 0.72 0.05 0.00 -0.67 0.00 0.00 178.83 178.70 3fg0 h ARG 432 N 0.77 0.13 -0.21 1.46 3.08 -0.71 -1.76 114.38 117.13 3fg0 h ARG 432 Ca 0.19 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3fg0 h ARG 432 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3fg0 h ARG 432 CO -0.02 0.09 0.10 0.28 -1.07 0.00 0.00 179.97 179.35 3fg0 h VAL 433 N 0.14 1.14 -0.98 2.04 2.07 -1.13 -2.83 116.25 116.70 3fg0 h VAL 433 Ca 0.08 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.31 3fg0 h VAL 433 Cb 0.05 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 3fg0 h VAL 433 CO -0.09 0.14 0.61 0.00 0.02 0.00 0.00 177.57 178.25 3fg0 h ALA 434 N 0.96 1.47 0.00 1.67 0.00 -0.78 -1.16 119.26 121.43 3fg0 h ALA 434 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 434 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fg0 h ALA 434 CO -0.01 0.20 -0.12 -0.91 0.00 0.00 0.00 179.25 178.42 3fg0 h ASN 435 N 0.96 0.00 0.18 0.00 2.35 -1.08 -3.03 115.58 114.96 3fg0 h ASN 435 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 3fg0 h ASN 435 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3fg0 h ASN 435 CO -0.27 0.12 -0.81 0.29 -1.65 0.00 0.00 177.43 175.11 3fg0 n LYS 436 N -3.33 0.01 -2.60 0.81 5.02 -0.49 -4.92 118.16 112.66 3fg0 n LYS 436 Ca -0.00 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3fg0 n LYS 436 Cb 0.33 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.99 4.34 -1.28 -0.35 1.43 -0.89 -4.95 118.68 113.99 3fg0 s LEU 437 Ca 0.09 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 3fg0 s LEU 437 Cb 0.17 -3.57 0.15 0.00 0.03 0.00 0.00 46.19 42.96 3fg0 s LEU 437 CO 0.81 -0.38 1.75 0.29 0.23 0.00 0.00 176.35 179.04 3fg0 n LYS 438 N 4.25 3.42 -3.93 1.70 5.02 -1.26 -4.89 118.16 122.46 3fg0 n LYS 438 Ca 0.08 -3.53 -0.11 0.00 -2.02 0.00 0.00 58.31 52.73 3fg0 n LYS 438 Cb 0.49 -3.05 -0.13 0.00 -0.02 0.00 0.00 35.03 32.32 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 1.09 2.09 0.34 -0.35 1.43 -1.26 -4.40 118.68 117.63 3fg0 s LEU 439 Ca 0.43 -0.20 0.13 0.00 -1.03 0.00 0.00 54.13 53.46 3fg0 s LEU 439 Cb 0.05 0.02 0.60 0.00 0.03 0.00 0.00 46.19 46.89 3fg0 s LEU 439 CO 0.00 -0.11 1.74 1.23 0.23 0.00 0.00 176.35 179.44 3fg0 h GLY 440 N 5.55 0.00 -6.28 -3.19 0.00 -0.71 -3.42 103.07 95.02 3fg0 h GLY 440 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.71 3fg0 h GLY 440 CO 0.47 0.00 -0.75 -1.59 0.00 0.00 0.00 176.54 174.67 3fg0 s THR 441 N -3.90 0.24 -0.11 4.70 2.01 -0.88 -4.78 115.64 112.91 3fg0 s THR 441 Ca -0.02 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3fg0 s THR 441 Cb 0.13 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.34 3fg0 s THR 441 CO 0.73 0.15 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.94 3fg0 s VAL 442 N 0.89 1.73 -0.17 3.82 1.01 -1.26 -1.91 120.40 124.52 3fg0 s VAL 442 Ca -0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 3fg0 s VAL 442 Cb -0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3fg0 s VAL 442 CO -0.01 0.49 0.16 0.26 0.00 0.00 0.00 175.10 175.99 3fg0 s TRP 443 N 0.80 3.47 -0.29 5.22 0.51 -0.05 -5.00 118.94 123.60 3fg0 s TRP 443 Ca -0.09 0.43 -0.08 0.00 -2.12 0.00 0.00 56.10 54.24 3fg0 s TRP 443 Cb -0.16 -2.13 -0.01 0.00 -0.81 0.00 0.00 33.47 30.37 3fg0 s TRP 443 CO 0.01 0.41 0.11 0.42 -0.51 0.00 0.00 176.95 177.39 3fg0 s ILE 444 N -0.03 4.32 -1.41 2.03 1.01 -1.26 -0.69 121.20 125.18 3fg0 s ILE 444 Ca 0.11 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3fg0 s ILE 444 Cb -0.12 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.21 3fg0 s ILE 444 CO 0.01 0.12 1.13 0.59 0.00 0.00 0.00 174.94 176.78 3fg0 n ASN 445 N 4.93 -5.87 -3.71 3.58 3.02 0.20 -4.97 115.26 112.44 3fg0 n ASN 445 Ca -0.14 -0.61 -0.08 0.00 -0.03 0.00 0.00 54.58 53.71 3fg0 n ASN 445 Cb 0.49 -4.69 -0.02 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.33 -0.16 -0.17 6.41 -1.08 -1.26 -5.08 116.67 112.00 3fg0 s ASP 446 Ca 0.60 -0.77 -0.09 0.00 -0.52 0.00 0.00 52.55 51.77 3fg0 s ASP 446 Cb -0.28 0.73 0.06 0.00 -1.46 0.00 0.00 42.92 41.97 3fg0 s ASP 446 CO 0.76 -1.38 0.40 0.12 0.52 0.00 0.00 175.17 175.60 3fg0 s PHE 447 N -3.64 -0.60 0.00 -5.34 5.36 -1.26 -4.72 117.98 107.79 3fg0 s PHE 447 Ca 0.14 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3fg0 s PHE 447 Cb -0.05 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 3fg0 s PHE 447 CO 0.08 -0.35 0.00 0.72 -1.46 0.00 0.00 175.22 174.22 3fg0 n HIS 448 N 4.33 0.00 -1.78 10.12 8.25 -1.26 -4.93 115.22 129.94 3fg0 n HIS 448 Ca -0.23 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.82 3fg0 n HIS 448 Cb 0.55 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 3fg0 n HIS 448 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3fg0 s PRO 449 N -0.67 4.13 0.04 -0.41 0.02 -1.26 -5.00 135.00 131.84 3fg0 s PRO 449 Ca 0.00 2.57 -0.03 0.00 0.02 0.00 0.00 61.00 63.56 3fg0 s PRO 449 Cb 0.00 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 3fg0 s PRO 449 CO 0.00 -0.66 0.03 1.52 -0.33 0.00 0.00 177.00 177.56 3fg0 s TYR 450 N 0.33 0.30 0.06 6.54 -0.85 -1.26 -5.06 117.35 117.41 3fg0 s TYR 450 Ca 0.66 -0.65 -0.26 0.00 -0.52 0.00 0.00 57.07 56.30 3fg0 s TYR 450 Cb -0.48 -0.22 0.08 0.00 0.38 0.00 0.00 41.96 41.72 3fg0 s TYR 450 CO 0.43 -0.32 0.72 -0.59 -1.52 0.00 0.00 175.55 174.27 3fg0 s PHE 451 N -2.63 -0.50 0.49 -3.49 -0.12 -1.26 -5.05 117.98 105.43 3fg0 s PHE 451 Ca -0.05 0.44 0.20 0.00 -0.05 0.00 0.00 56.93 57.48 3fg0 s PHE 451 Cb -0.01 0.52 1.26 0.00 -0.63 0.00 0.00 43.02 44.16 3fg0 s PHE 451 CO -0.05 -0.70 2.00 0.00 -0.05 0.00 0.00 175.22 176.43 3fg0 h ALA 452 N 2.20 2.28 0.00 1.99 0.00 -1.93 -1.94 119.26 121.86 3fg0 h ALA 452 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fg0 h ALA 452 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fg0 h ALA 452 CO 0.36 -0.41 0.00 1.96 0.00 0.00 0.00 179.25 181.15 3fg0 h GLN 453 N 0.14 0.00 -5.56 0.00 7.50 -1.95 0.55 115.11 115.80 3fg0 h GLN 453 Ca 0.24 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.86 3fg0 h GLN 453 Cb 0.75 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 27.99 3fg0 h GLN 453 CO -0.03 0.00 -0.83 0.00 -1.50 0.00 0.00 178.83 176.47 3fg0 s ALA 454 N -3.57 1.37 0.46 3.87 0.00 -0.73 -4.50 121.76 118.66 3fg0 s ALA 454 Ca 0.02 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 3fg0 s ALA 454 Cb 0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 3fg0 s ALA 454 CO 0.46 0.33 1.24 -1.25 0.00 0.00 0.00 175.76 176.54 3fg0 s PRO 455 N -0.43 3.69 -0.06 0.00 0.04 -1.25 -4.03 135.00 132.96 3fg0 s PRO 455 Ca 0.06 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3fg0 s PRO 455 Cb -0.06 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 32.02 3fg0 s PRO 455 CO -0.00 -0.66 -0.10 -0.46 0.04 0.00 0.00 177.00 175.82 3fg0 s TRP 456 N -1.42 1.24 0.00 0.56 -0.11 0.67 -4.91 118.94 114.98 3fg0 s TRP 456 Ca 0.63 -0.43 0.00 0.00 1.22 0.00 0.00 56.10 57.53 3fg0 s TRP 456 Cb -0.33 -0.94 0.00 0.00 -1.50 0.00 0.00 33.47 30.70 3fg0 s TRP 456 CO 0.41 -0.24 0.00 0.41 -4.62 0.00 0.00 176.95 172.91 3fg0 n GLY 457 N 3.82 -0.61 3.51 5.86 0.00 -1.26 -1.11 105.19 115.40 3fg0 n GLY 457 Ca -0.23 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 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 1.72 0.67 -0.02 0.00 -1.26 -3.72 107.32 104.70 3fg0 s GLY 458 Ca 0.00 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 3fg0 s GLY 458 CO 0.00 -1.53 1.06 -0.19 0.00 0.00 0.00 173.10 172.44 3fg0 s TYR 459 N -1.61 3.43 0.00 1.90 4.12 0.36 -4.04 117.35 121.52 3fg0 s TYR 459 Ca 0.22 1.11 0.00 0.00 0.02 0.00 0.00 57.07 58.42 3fg0 s TYR 459 Cb -0.09 -2.92 0.00 0.00 -1.52 0.00 0.00 41.96 37.44 3fg0 s TYR 459 CO 0.13 -0.97 0.00 1.63 0.02 0.00 0.00 175.55 176.35 3fg0 n LYS 460 N -2.88 0.00 -0.05 -0.62 5.02 -1.26 -2.03 118.16 116.34 3fg0 n LYS 460 Ca 0.06 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.41 3fg0 n LYS 460 Cb 0.56 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.81 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 1.28 0.02 1.97 6.02 -0.12 -3.27 117.38 137.29 3fg0 n GLN 461 Ca 0.00 -0.43 0.14 0.00 -0.01 0.00 0.00 57.00 56.69 3fg0 n GLN 461 Cb 0.00 -1.20 0.57 0.00 1.02 0.00 0.00 30.24 30.63 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 -0.24 0.18 0.00 1.08 7.64 -0.86 -4.70 113.62 116.73 3fg0 n SER 462 Ca 0.09 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.49 3fg0 n SER 462 Cb 0.13 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 1.42 -1.06 2.79 0.23 0.00 -1.20 -0.48 105.19 106.89 3fg0 n GLY 463 Ca 0.07 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.85 -0.06 0.00 -0.61 1.01 -0.49 -4.64 121.20 113.56 3fg0 s ILE 464 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3fg0 s ILE 464 Cb 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 42.38 3fg0 s ILE 464 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3fg0 n GLY 465 N 4.13 -2.16 3.07 6.18 0.00 -1.26 -0.79 105.19 114.36 3fg0 n GLY 465 Ca -0.27 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.21 0.55 0.19 1.61 1.81 -1.26 -4.33 118.95 117.32 3fg0 s ARG 466 Ca 0.00 -0.86 0.09 0.00 -1.72 0.00 0.00 55.73 53.25 3fg0 s ARG 466 Cb 0.00 -0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.25 3fg0 s ARG 466 CO 0.00 0.02 -0.12 -1.21 -0.68 0.00 0.00 175.30 173.31 3fg0 s GLU 467 N -2.04 1.96 0.23 3.54 2.02 -0.26 -4.15 118.70 119.99 3fg0 s GLU 467 Ca -0.06 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.59 3fg0 s GLU 467 Cb -0.07 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3fg0 s GLU 467 CO -0.01 0.42 0.00 1.28 0.02 0.00 0.00 175.26 176.97 3fg0 n LEU 468 N 0.02 -0.39 0.00 1.80 4.77 -1.26 -0.23 117.00 121.70 3fg0 n LEU 468 Ca -0.11 0.91 0.03 0.00 -0.03 0.00 0.00 56.01 56.82 3fg0 n LEU 468 Cb 0.56 -1.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 3fg0 n LEU 468 CO 0.34 -0.87 -0.04 0.61 -1.33 0.00 0.00 177.39 176.10 3fg0 n GLY 469 N -2.94 -1.46 0.32 -0.72 0.00 0.19 -0.69 105.19 99.89 3fg0 n GLY 469 Ca -0.03 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 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 1.09 -0.68 1.61 1.57 -1.85 -2.24 116.57 116.07 3fg0 h LYS 470 Ca 0.00 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3fg0 h LYS 470 Cb 0.21 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3fg0 h LYS 470 CO 0.00 0.98 0.37 0.93 -0.57 0.00 0.00 179.45 181.16 3fg0 h GLU 471 N 1.03 0.94 -0.69 3.15 5.08 -1.95 -1.55 114.58 120.59 3fg0 h GLU 471 Ca 0.21 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3fg0 h GLU 471 Cb 0.40 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3fg0 h GLU 471 CO 0.01 0.69 0.41 0.78 -1.00 0.00 0.00 179.01 179.90 3fg0 h GLY 472 N 1.00 1.00 1.23 -3.84 0.00 -0.34 -2.26 103.07 99.86 3fg0 h GLY 472 Ca 0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3fg0 h GLY 472 CO -0.04 0.41 0.37 -2.00 0.00 0.00 0.00 176.54 175.28 3fg0 h LEU 473 N 0.93 0.90 -2.09 3.11 5.85 -0.94 -2.88 115.31 120.20 3fg0 h LEU 473 Ca 0.25 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3fg0 h LEU 473 Cb -0.02 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3fg0 h LEU 473 CO -0.05 0.74 0.00 -0.33 -0.34 0.00 0.00 178.44 178.47 3fg0 h GLU 474 N 1.01 0.00 0.00 1.25 5.08 -0.69 -0.62 114.58 120.60 3fg0 h GLU 474 Ca 0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3fg0 h GLU 474 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3fg0 h GLU 474 CO -0.04 0.00 -0.15 0.93 -1.00 0.00 0.00 179.01 178.76 3fg0 h GLU 475 N 0.00 0.00 -0.66 2.33 4.39 -1.35 -2.71 114.58 116.58 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 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3fg0 h GLU 475 CO 0.00 0.15 0.00 0.66 -1.16 0.00 0.00 179.01 178.66 3fg0 n TYR 476 N -4.14 1.22 -4.36 4.33 4.01 -0.24 -4.86 117.16 113.12 3fg0 n TYR 476 Ca -0.02 -0.51 -0.22 0.00 -0.16 0.00 0.00 57.90 56.98 3fg0 n TYR 476 Cb 0.22 -0.15 -0.11 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.48 2.47 0.01 7.72 1.43 -1.02 -1.00 118.68 126.80 3fg0 s LEU 477 Ca 0.46 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3fg0 s LEU 477 Cb 0.28 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 3fg0 s LEU 477 CO 0.25 -0.03 -0.10 0.54 0.23 0.00 0.00 176.35 177.25 3fg0 s VAL 478 N -2.16 0.75 -0.03 -1.59 0.11 0.11 -4.53 120.40 113.06 3fg0 s VAL 478 Ca 0.18 -0.65 -0.13 0.00 -2.93 0.00 0.00 61.98 58.45 3fg0 s VAL 478 Cb -0.05 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 3fg0 s VAL 478 CO 0.08 0.04 0.35 -0.44 -3.33 0.00 0.00 175.10 171.80 3fg0 s SER 479 N -0.68 6.72 -0.08 3.54 0.01 -1.26 -0.75 113.70 121.20 3fg0 s SER 479 Ca 0.00 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.12 3fg0 s SER 479 Cb -0.06 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.98 3fg0 s SER 479 CO 0.00 0.33 -0.07 -0.75 0.41 0.00 0.00 173.24 173.16 3fg0 s LYS 480 N -1.00 1.35 -0.33 12.44 2.20 -0.43 -4.98 119.74 128.99 3fg0 s LYS 480 Ca 0.22 -0.23 -0.21 0.00 -0.36 0.00 0.00 55.97 55.39 3fg0 s LYS 480 Cb -0.16 -1.34 -0.00 0.00 -1.51 0.00 0.00 37.83 34.82 3fg0 s LYS 480 CO 0.11 -0.16 0.64 -1.58 -0.36 0.00 0.00 175.35 174.01 3fg0 s HIS 481 N 1.31 3.19 -0.30 4.03 5.65 -1.26 -0.79 115.29 127.11 3fg0 s HIS 481 Ca -0.03 0.51 -0.08 0.00 0.25 0.00 0.00 55.06 55.70 3fg0 s HIS 481 Cb -0.14 -3.07 -0.01 0.00 -1.18 0.00 0.00 32.58 28.19 3fg0 s HIS 481 CO -0.03 -0.54 0.12 0.42 -0.65 0.00 0.00 174.74 174.05 3fg0 s ILE 482 N 2.68 4.35 -0.24 0.89 1.01 0.06 -4.99 121.20 124.96 3fg0 s ILE 482 Ca 0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3fg0 s ILE 482 Cb -0.15 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.15 3fg0 s ILE 482 CO 0.13 0.12 -0.08 -0.22 0.00 0.00 0.00 174.94 174.89 3fg0 s LEU 483 N 1.58 3.05 -0.21 2.97 0.20 -1.26 -1.96 118.68 123.05 3fg0 s LEU 483 Ca 0.04 -0.82 -0.08 0.00 0.69 0.00 0.00 54.13 53.96 3fg0 s LEU 483 Cb -0.17 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 3fg0 s LEU 483 CO 0.05 -0.11 0.08 -0.89 -0.29 0.00 0.00 176.35 175.19 3fg0 s THR 484 N 1.33 4.72 -0.44 3.68 2.01 0.21 -4.96 115.64 122.19 3fg0 s THR 484 Ca 0.01 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 3fg0 s THR 484 Cb -0.16 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.21 3fg0 s THR 484 CO -0.05 0.40 0.83 0.21 -0.69 0.00 0.00 174.62 175.32 3fg0 s ASN 485 N 0.90 6.47 0.00 3.53 3.84 -1.26 -0.84 114.94 127.58 3fg0 s ASN 485 Ca 0.04 0.06 0.25 0.00 0.21 0.00 0.00 52.86 53.43 3fg0 s ASN 485 Cb -0.14 -2.41 1.05 0.00 -0.55 0.00 0.00 41.25 39.21 3fg0 s ASN 485 CO 0.03 -0.92 1.73 0.35 -2.79 0.00 0.00 177.10 175.50 3fg0 n THR 486 N 6.16 0.07 -2.97 -5.21 -2.24 -0.39 -4.17 114.28 105.53 3fg0 n THR 486 Ca 0.04 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 3fg0 n THR 486 Cb 0.48 0.29 0.01 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.03 -1.02 -4.76 3.42 5.15 -1.24 -5.03 115.26 111.80 3fg0 n ASN 487 Ca 0.18 -3.17 -0.41 0.00 -0.60 0.00 0.00 54.58 50.58 3fg0 n ASN 487 Cb 0.30 0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 40.12 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 -0.69 4.44 0.06 1.20 0.04 -1.26 -5.02 135.00 133.78 3fg0 s PRO 488 Ca 0.32 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.48 3fg0 s PRO 488 Cb 0.26 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 3fg0 s PRO 488 CO -0.12 -0.07 -0.12 -0.65 0.04 0.00 0.00 177.00 176.07 3fg0 s GLN 489 N -1.52 0.73 0.35 4.56 -1.52 -1.26 -5.12 119.66 115.88 3fg0 s GLN 489 Ca 0.48 -0.90 -0.28 0.00 -1.95 0.00 0.00 55.36 52.71 3fg0 s GLN 489 Cb -0.37 -0.67 -0.12 0.00 -0.22 0.00 0.00 33.01 31.63 3fg0 s GLN 489 CO 0.48 0.14 1.33 1.28 -0.25 0.00 0.00 175.29 178.27 3fg0 n LEU 490 N 1.33 3.78 0.06 2.90 4.32 -1.26 -4.91 117.00 123.21 3fg0 n LEU 490 Ca -0.22 1.21 -0.20 0.00 -0.02 0.00 0.00 56.01 56.78 3fg0 n LEU 490 Cb 0.54 -1.51 -0.15 0.00 -1.62 0.00 0.00 43.42 40.69 3fg0 n LEU 490 CO 0.21 -0.36 -0.50 0.58 -1.22 0.00 0.00 177.39 176.10 3fg0 h VAL 491 N 2.63 0.96 -5.33 4.08 2.07 -2.01 -3.48 116.25 115.17 3fg0 h VAL 491 Ca -0.47 -2.59 -0.41 0.00 0.82 0.00 0.00 66.70 64.04 3fg0 h VAL 491 Cb 1.28 2.71 0.03 0.00 -1.52 0.00 0.00 31.29 33.79 3fg0 h VAL 491 CO 0.63 0.83 -0.65 0.59 0.02 0.00 0.00 177.57 179.00 3fg0 n ASN 492 N -3.51 -5.49 -0.14 0.57 3.02 -1.26 -4.88 115.26 103.57 3fg0 n ASN 492 Ca -0.22 -0.46 -0.11 0.00 -0.03 0.00 0.00 54.58 53.76 3fg0 n ASN 492 Cb 1.06 -4.41 -0.01 0.00 -0.61 0.00 0.00 39.78 35.81 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 -1.75 0.84 -3.22 3.10 2.91 -2.01 -3.38 115.95 112.44 3fg0 h TRP 493 Ca -0.53 -0.17 -0.67 0.00 1.13 0.00 0.00 58.89 58.65 3fg0 h TRP 493 Cb 1.36 -0.21 -0.17 0.00 -0.51 0.00 0.00 29.16 29.62 3fg0 h TRP 493 CO 0.56 0.86 0.14 -0.06 -1.03 0.00 0.00 178.44 178.91 3fg0 s PHE 494 N -4.87 3.00 0.24 2.65 0.08 -1.26 -4.95 117.98 112.87 3fg0 s PHE 494 Ca -0.13 -0.47 -0.06 0.00 0.12 0.00 0.00 56.93 56.39 3fg0 s PHE 494 Cb 0.10 -3.66 0.22 0.00 -0.57 0.00 0.00 43.02 39.12 3fg0 s PHE 494 CO 0.81 -1.10 1.86 0.77 -0.10 0.00 0.00 175.22 177.45 3fg0 h SER 495 N 9.06 1.12 -0.03 1.36 0.02 -2.00 -3.52 113.55 119.56 3fg0 h SER 495 Ca -0.27 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3fg0 h SER 495 Cb 1.09 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3fg0 h SER 495 CO 0.99 0.90 0.00 0.29 -1.14 0.00 0.00 176.83 177.87