#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fxi s ASP 2 N 0.00 6.54 0.50 7.83 1.01 -1.26 -4.99 116.67 126.30 2fxi s ASP 2 Ca 0.00 1.81 -0.23 0.00 0.71 0.00 0.00 52.55 54.84 2fxi s ASP 2 Cb 0.00 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 2fxi s ASP 2 CO 0.00 -0.64 1.29 0.29 0.21 0.00 0.00 175.17 176.32 2fxi n LYS 3 N -0.96 1.74 -2.30 8.23 5.02 -1.26 -5.01 118.16 123.62 2fxi n LYS 3 Ca 0.08 0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 56.75 2fxi n LYS 3 Cb 0.53 -2.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.15 2fxi n LYS 3 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2fxi s LYS 4 N -2.59 2.10 -0.10 1.97 1.02 -0.33 -4.81 119.74 117.01 2fxi s LYS 4 Ca 0.67 -0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.24 2fxi s LYS 4 Cb -0.45 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2fxi s LYS 4 CO 0.53 -1.24 -0.19 0.99 -0.92 0.00 0.00 175.35 174.52 2fxi s THR 5 N -3.19 1.72 -0.06 2.17 2.01 -1.26 -0.23 115.64 116.80 2fxi s THR 5 Ca 0.61 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2fxi s THR 5 Cb -0.10 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 2fxi s THR 5 CO 0.44 0.48 -0.21 -0.51 -0.69 0.00 0.00 174.62 174.14 2fxi s ILE 6 N 0.69 2.45 -0.25 1.82 2.07 -0.71 -0.54 121.20 126.73 2fxi s ILE 6 Ca -0.12 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.21 2fxi s ILE 6 Cb -0.16 -1.93 0.06 0.00 0.13 0.00 0.00 42.46 40.56 2fxi s ILE 6 CO 0.03 0.57 -0.08 -0.47 -1.91 0.00 0.00 174.94 173.08 2fxi s TYR 7 N -0.27 2.76 -0.17 3.50 6.04 -0.39 -1.88 117.35 126.93 2fxi s TYR 7 Ca 0.00 -1.99 -0.21 0.00 0.04 0.00 0.00 57.07 54.90 2fxi s TYR 7 Cb -0.13 -1.73 -0.03 0.00 -1.04 0.00 0.00 41.96 39.04 2fxi s TYR 7 CO 0.03 -0.82 0.65 -0.06 -1.54 0.00 0.00 175.55 173.81 2fxi s PHE 8 N 1.27 3.41 -0.05 4.97 0.40 -0.05 -1.02 117.98 126.92 2fxi s PHE 8 Ca -0.07 1.00 0.06 0.00 -0.60 0.00 0.00 56.93 57.33 2fxi s PHE 8 Cb -0.19 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 2fxi s PHE 8 CO -0.06 -0.13 -0.25 0.42 0.70 0.00 0.00 175.22 175.91 2fxi s ILE 9 N 1.71 2.11 0.05 0.64 -1.09 0.07 -1.03 121.20 123.66 2fxi s ILE 9 Ca 0.31 -1.06 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2fxi s ILE 9 Cb -0.16 -1.76 -0.00 0.00 -1.58 0.00 0.00 42.46 38.96 2fxi s ILE 9 CO 0.12 0.57 0.05 -1.54 -1.23 0.00 0.00 174.94 172.91 2fxi n SER 10 N 2.84 -0.13 -0.08 3.58 3.41 -0.77 -0.61 113.62 121.85 2fxi n SER 10 Ca -0.17 -1.33 -0.13 0.00 -0.26 0.00 0.00 58.87 56.98 2fxi n SER 10 Cb 0.52 0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 2fxi n SER 10 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2fxi h THR 11 N 1.16 1.31 0.00 6.66 2.02 -1.91 -1.78 112.91 120.37 2fxi h THR 11 Ca -0.04 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2fxi h THR 11 Cb 0.18 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2fxi h THR 11 CO 0.05 0.43 -0.23 0.61 0.37 0.00 0.00 175.52 176.75 2fxi n GLY 12 N 0.14 0.87 4.21 2.16 0.00 -1.25 -1.51 105.19 109.82 2fxi n GLY 12 Ca -0.04 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2fxi n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2fxi n ASN 13 N -0.35 -1.37 0.00 1.61 4.05 -1.24 -1.46 115.26 116.49 2fxi n ASN 13 Ca 0.03 -1.29 0.00 0.00 0.45 0.00 0.00 54.58 53.77 2fxi n ASN 13 Cb 0.60 -1.58 0.00 0.00 1.23 0.00 0.00 39.78 40.03 2fxi n ASN 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2fxi n SER 14 N -2.52 1.11 0.00 1.20 2.88 -1.26 -4.46 113.62 110.57 2fxi n SER 14 Ca -0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2fxi n SER 14 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2fxi n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fxi n ALA 15 N -2.71 2.68 -0.06 -1.46 0.00 -1.26 -1.26 120.51 116.44 2fxi n ALA 15 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2fxi n ALA 15 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 2fxi n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fxi h ARG 16 N 0.00 -0.07 0.00 0.00 3.08 -1.97 -0.46 114.38 114.96 2fxi h ARG 16 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2fxi h ARG 16 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2fxi h ARG 16 CO 0.00 -0.05 -0.44 0.66 -1.07 0.00 0.00 179.97 179.07 2fxi h SER 17 N -0.07 0.00 0.03 7.04 4.64 -1.92 -1.36 113.55 121.92 2fxi h SER 17 Ca 0.13 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 2fxi h SER 17 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2fxi h SER 17 CO -0.30 0.44 -0.81 1.56 -0.87 0.00 0.00 176.83 176.86 2fxi h GLN 18 N 0.00 0.64 -0.07 4.77 1.08 -1.72 -1.30 115.11 118.51 2fxi h GLN 18 Ca -0.00 -0.56 -0.16 0.00 -1.45 0.00 0.00 58.65 56.48 2fxi h GLN 18 Cb 0.92 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 2fxi h GLN 18 CO 0.06 1.17 -0.64 0.52 -0.95 0.00 0.00 178.83 178.99 2fxi h MET 19 N 0.42 0.28 -0.60 1.46 2.86 -1.00 -1.07 114.93 117.27 2fxi h MET 19 Ca -0.06 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 2fxi h MET 19 Cb 1.43 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 2fxi h MET 19 CO 0.16 0.83 -0.00 0.00 1.06 0.00 0.00 176.91 178.95 2fxi h ALA 20 N 1.12 0.85 -0.55 6.32 0.00 -1.16 -0.17 119.26 125.66 2fxi h ALA 20 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2fxi h ALA 20 Cb 1.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2fxi h ALA 20 CO 0.10 0.67 -0.07 1.49 0.00 0.00 0.00 179.25 181.44 2fxi h GLU 21 N 0.97 1.02 0.08 0.00 4.81 -1.06 0.21 114.58 120.61 2fxi h GLU 21 Ca 0.17 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2fxi h GLU 21 Cb 0.56 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2fxi h GLU 21 CO 0.03 1.05 -0.04 0.78 -0.73 0.00 0.00 179.01 180.10 2fxi h GLY 22 N 0.90 -0.11 0.97 1.92 0.00 -0.82 -1.02 103.07 104.91 2fxi h GLY 22 Ca 0.15 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2fxi h GLY 22 CO 0.04 -0.04 0.05 1.49 0.00 0.00 0.00 176.54 178.08 2fxi h TRP 23 N -0.12 0.83 -0.48 5.60 -0.00 -0.99 -3.19 115.95 117.60 2fxi h TRP 23 Ca -0.01 -0.13 0.06 0.00 -0.00 0.00 0.00 58.89 58.82 2fxi h TRP 23 Cb 0.10 -0.22 -0.05 0.00 -0.00 0.00 0.00 29.16 28.98 2fxi h TRP 23 CO -0.07 0.79 0.17 0.78 -0.00 0.00 0.00 178.44 180.12 2fxi h GLY 24 N 0.63 0.64 0.50 1.49 0.00 -0.35 0.78 103.07 106.76 2fxi h GLY 24 Ca 0.14 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.47 2fxi h GLY 24 CO 0.01 0.02 0.51 0.50 0.00 0.00 0.00 176.54 177.58 2fxi h LYS 25 N 0.35 0.81 0.07 4.80 1.57 -1.18 0.21 116.57 123.21 2fxi h LYS 25 Ca 0.23 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 2fxi h LYS 25 Cb 0.23 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.38 2fxi h LYS 25 CO -0.23 0.54 -0.51 1.49 -0.57 0.00 0.00 179.45 180.16 2fxi h GLU 26 N 0.84 0.22 0.10 3.15 4.57 -1.43 -2.46 114.58 119.56 2fxi h GLU 26 Ca 0.42 -0.33 -0.28 0.00 -1.18 0.00 0.00 59.36 57.99 2fxi h GLU 26 Cb 0.40 0.12 0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2fxi h GLU 26 CO -0.25 1.12 -1.18 0.82 -1.18 0.00 0.00 179.01 178.34 2fxi h ILE 27 N -0.51 1.36 -0.07 2.32 2.04 -0.77 -3.35 117.51 118.52 2fxi h ILE 27 Ca -0.08 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2fxi h ILE 27 Cb 1.36 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 2fxi h ILE 27 CO 0.10 0.78 0.00 0.18 0.00 0.00 0.00 178.15 179.20 2fxi n LEU 28 N -3.73 2.53 -0.37 1.44 4.77 0.72 -4.73 117.00 117.64 2fxi n LEU 28 Ca -0.11 -1.09 0.32 0.00 -0.03 0.00 0.00 56.01 55.10 2fxi n LEU 28 Cb 0.96 -0.03 0.65 0.00 -2.33 0.00 0.00 43.42 42.66 2fxi n LEU 28 CO 0.56 0.47 1.28 1.23 -1.33 0.00 0.00 177.39 179.59 2fxi h GLY 29 N 3.36 0.70 1.71 -0.72 0.00 -1.32 -0.47 103.07 106.34 2fxi h GLY 29 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 2fxi h GLY 29 CO 0.00 -0.13 -0.47 0.83 0.00 0.00 0.00 176.54 176.77 2fxi h GLU 30 N 0.16 0.32 0.00 4.80 5.08 -1.85 -3.34 114.58 119.75 2fxi h GLU 30 Ca 0.65 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2fxi h GLU 30 Cb 2.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2fxi h GLU 30 CO -0.19 0.72 0.00 0.41 -1.00 0.00 0.00 179.01 178.95 2fxi n GLY 31 N -0.00 -0.62 3.03 -3.84 0.00 -0.82 -4.96 105.19 97.99 2fxi n GLY 31 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2fxi n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2fxi s TRP 32 N -0.18 0.52 -0.20 1.61 0.52 -0.25 -1.18 118.94 119.78 2fxi s TRP 32 Ca 0.00 -0.53 -0.09 0.00 0.02 0.00 0.00 56.10 55.50 2fxi s TRP 32 Cb 0.00 -0.32 -0.05 0.00 -1.15 0.00 0.00 33.47 31.95 2fxi s TRP 32 CO 0.00 -0.13 0.11 -0.80 0.02 0.00 0.00 176.95 176.15 2fxi s ASN 33 N -1.58 5.98 -0.13 2.95 0.01 0.68 -4.44 114.94 118.40 2fxi s ASN 33 Ca -0.12 0.15 -0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2fxi s ASN 33 Cb -0.09 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 2fxi s ASN 33 CO -0.00 0.16 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.92 2fxi s VAL 34 N 0.50 3.05 0.19 1.60 1.01 -1.26 -1.74 120.40 123.74 2fxi s VAL 34 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2fxi s VAL 34 Cb -0.12 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2fxi s VAL 34 CO -0.00 0.52 -0.02 -0.31 0.00 0.00 0.00 175.10 175.29 2fxi s TYR 35 N 0.39 1.34 0.03 5.22 1.51 -0.79 -4.98 117.35 120.07 2fxi s TYR 35 Ca -0.10 -0.93 -0.07 0.00 -1.01 0.00 0.00 57.07 54.96 2fxi s TYR 35 Cb -0.16 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 2fxi s TYR 35 CO 0.05 -0.09 0.14 -1.54 -1.11 0.00 0.00 175.55 173.01 2fxi s SER 36 N -3.21 0.09 0.29 2.29 1.04 -1.26 -0.87 113.70 112.06 2fxi s SER 36 Ca 0.24 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 2fxi s SER 36 Cb 0.05 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2fxi s SER 36 CO 0.05 -0.49 0.69 0.00 0.98 0.00 0.00 173.24 174.47 2fxi s ALA 37 N -2.25 -0.99 0.12 5.32 0.00 -0.19 -4.63 121.76 119.14 2fxi s ALA 37 Ca -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 2fxi s ALA 37 Cb -0.03 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2fxi s ALA 37 CO -0.03 -1.00 0.03 0.20 0.00 0.00 0.00 175.76 174.97 2fxi s GLY 38 N -2.96 0.94 0.53 0.00 0.00 0.32 -1.84 107.32 104.31 2fxi s GLY 38 Ca 0.14 -1.45 0.29 0.00 0.00 0.00 0.00 44.72 43.70 2fxi s GLY 38 CO 0.08 -1.38 2.06 -2.22 0.00 0.00 0.00 173.10 171.64 2fxi h ILE 39 N 2.89 0.44 -3.75 0.90 1.08 -0.89 -3.18 117.51 115.01 2fxi h ILE 39 Ca -0.35 -0.56 -0.08 0.00 -0.39 0.00 0.00 64.86 63.47 2fxi h ILE 39 Cb 1.19 1.39 -0.12 0.00 -3.07 0.00 0.00 36.82 36.21 2fxi h ILE 39 CO 0.61 0.11 -0.25 -1.83 -0.69 0.00 0.00 178.15 176.09 2fxi s GLU 40 N -4.05 1.16 -0.22 2.37 -1.05 -0.57 -4.93 118.70 111.41 2fxi s GLU 40 Ca -0.02 -1.07 -0.01 0.00 -0.15 0.00 0.00 54.97 53.71 2fxi s GLU 40 Cb 0.12 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2fxi s GLU 40 CO 0.57 -0.44 -0.09 0.95 0.95 0.00 0.00 175.26 177.20 2fxi s THR 41 N -3.93 2.79 -1.56 1.83 -4.23 -1.26 -3.66 115.64 105.62 2fxi s THR 41 Ca 0.14 -0.86 0.15 0.00 -1.18 0.00 0.00 61.69 59.94 2fxi s THR 41 Cb 0.03 -2.32 0.27 0.00 1.34 0.00 0.00 72.50 71.82 2fxi s THR 41 CO -0.02 0.35 1.17 1.41 -0.54 0.00 0.00 174.62 176.99 2fxi n HIS 42 N 4.69 0.33 0.00 3.99 8.25 -0.54 -5.05 115.22 126.89 2fxi n HIS 42 Ca -0.18 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 2fxi n HIS 42 Cb 0.49 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2fxi n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fxi n GLY 43 N 0.86 -1.51 3.65 -1.41 0.00 -1.26 -4.80 105.19 100.73 2fxi n GLY 43 Ca 0.12 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2fxi n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fxi s VAL 44 N -1.87 4.74 0.16 1.61 1.01 -1.26 -4.06 120.40 120.73 2fxi s VAL 44 Ca 0.00 1.84 -0.33 0.00 0.00 0.00 0.00 61.98 63.49 2fxi s VAL 44 Cb 0.00 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 2fxi s VAL 44 CO 0.00 -0.14 1.71 -3.20 0.00 0.00 0.00 175.10 173.47 2fxi n ASN 45 N 6.21 3.70 -0.33 3.32 2.85 -0.39 -4.89 115.26 125.73 2fxi n ASN 45 Ca 0.09 1.05 0.05 0.00 -0.11 0.00 0.00 54.58 55.66 2fxi n ASN 45 Cb 0.47 -1.51 0.20 0.00 1.24 0.00 0.00 39.78 40.18 2fxi n ASN 45 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2fxi h PRO 46 N 7.01 0.88 0.00 1.20 0.11 -1.94 -1.41 132.00 137.85 2fxi h PRO 46 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2fxi h PRO 46 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2fxi h PRO 46 CO 0.93 0.58 -0.42 0.87 -0.21 0.00 0.00 178.00 179.75 2fxi h LYS 47 N 0.91 0.00 -0.28 1.05 1.57 -1.97 -1.73 116.57 116.12 2fxi h LYS 47 Ca 0.45 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.06 2fxi h LYS 47 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2fxi h LYS 47 CO -0.26 0.42 -0.51 0.00 -0.57 0.00 0.00 179.45 178.54 2fxi h ALA 48 N 1.58 0.58 -0.22 3.86 0.00 -1.62 0.17 119.26 123.61 2fxi h ALA 48 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2fxi h ALA 48 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2fxi h ALA 48 CO 0.05 0.68 0.09 0.82 0.00 0.00 0.00 179.25 180.90 2fxi h ILE 49 N 0.61 1.16 -0.91 0.00 2.04 -1.10 -1.62 117.51 117.68 2fxi h ILE 49 Ca 0.02 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2fxi h ILE 49 Cb 1.09 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2fxi h ILE 49 CO 0.11 0.15 0.60 -0.33 0.00 0.00 0.00 178.15 178.68 2fxi h GLU 50 N 0.20 1.16 -0.69 2.37 4.39 -1.21 -0.96 114.58 119.83 2fxi h GLU 50 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2fxi h GLU 50 Cb 0.16 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2fxi h GLU 50 CO -0.01 0.76 0.37 0.00 -1.16 0.00 0.00 179.01 178.97 2fxi h ALA 51 N 1.36 0.89 -0.01 3.43 0.00 -0.57 -2.29 119.26 122.07 2fxi h ALA 51 Ca 0.35 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2fxi h ALA 51 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2fxi h ALA 51 CO -0.10 0.42 -0.65 0.52 0.00 0.00 0.00 179.25 179.44 2fxi h MET 52 N 0.96 0.05 -0.46 0.00 2.86 -0.98 -2.85 114.93 114.51 2fxi h MET 52 Ca 0.24 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2fxi h MET 52 Cb 0.06 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2fxi h MET 52 CO -0.04 0.68 0.26 -0.22 1.06 0.00 0.00 176.91 178.66 2fxi h LYS 53 N 0.04 0.62 0.00 1.72 3.64 -0.64 -0.40 116.57 121.55 2fxi h LYS 53 Ca -0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2fxi h LYS 53 Cb 1.16 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2fxi h LYS 53 CO 0.09 0.45 -0.15 0.93 -2.27 0.00 0.00 179.45 178.50 2fxi h GLU 54 N 0.63 0.00 -0.56 1.90 5.08 -1.20 -1.74 114.58 118.69 2fxi h GLU 54 Ca 0.17 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2fxi h GLU 54 Cb -0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 2fxi h GLU 54 CO -0.03 0.15 0.15 1.33 -1.00 0.00 0.00 179.01 179.60 2fxi n VAL 55 N -3.99 2.72 -3.31 3.13 0.24 -0.63 -4.95 118.33 111.54 2fxi n VAL 55 Ca -0.02 -1.89 -0.24 0.00 -2.04 0.00 0.00 64.34 60.15 2fxi n VAL 55 Cb 0.23 -0.33 0.04 0.00 -1.47 0.00 0.00 33.84 32.32 2fxi n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2fxi n ASP 56 N -0.40 -5.78 -4.13 -1.34 8.00 -0.65 -5.01 116.55 107.24 2fxi n ASP 56 Ca 0.35 -0.42 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 2fxi n ASP 56 Cb 1.21 -4.64 -0.17 0.00 -0.02 0.00 0.00 41.12 37.51 2fxi n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2fxi s ILE 57 N -3.20 1.71 -0.33 0.53 1.01 -0.26 -5.00 121.20 115.67 2fxi s ILE 57 Ca 0.43 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 2fxi s ILE 57 Cb -0.20 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2fxi s ILE 57 CO 0.53 0.48 0.32 -0.62 0.00 0.00 0.00 174.94 175.66 2fxi s ASP 58 N 0.63 6.15 -0.06 3.58 2.15 -1.26 -3.07 116.67 124.78 2fxi s ASP 58 Ca -0.14 -0.20 0.09 0.00 0.43 0.00 0.00 52.55 52.74 2fxi s ASP 58 Cb -0.16 -2.18 0.20 0.00 -0.30 0.00 0.00 42.92 40.48 2fxi s ASP 58 CO 0.04 -0.27 1.14 2.30 -0.17 0.00 0.00 175.17 178.20 2fxi n ILE 59 N 5.18 1.42 0.62 4.11 -5.35 -1.26 -4.58 119.36 119.51 2fxi n ILE 59 Ca -0.10 -1.48 0.10 0.00 -0.27 0.00 0.00 62.75 60.99 2fxi n ILE 59 Cb 0.50 0.19 0.41 0.00 -1.74 0.00 0.00 39.64 39.00 2fxi n ILE 59 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2fxi n SER 60 N -0.61 0.11 -0.13 7.28 3.41 -1.26 -1.92 113.62 120.50 2fxi n SER 60 Ca 0.09 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2fxi n SER 60 Cb 0.47 -0.55 0.20 0.00 -0.26 0.00 0.00 64.21 64.08 2fxi n SER 60 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2fxi n ASN 61 N -1.62 0.91 -4.73 4.04 6.94 -1.26 -4.94 115.26 114.61 2fxi n ASN 61 Ca 0.04 -0.71 -0.30 0.00 -0.02 0.00 0.00 54.58 53.59 2fxi n ASN 61 Cb 0.23 0.37 0.13 0.00 -2.36 0.00 0.00 39.78 38.14 2fxi n ASN 61 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2fxi s HIS 62 N -2.79 2.31 0.16 -2.53 3.76 -0.81 -5.06 115.29 110.33 2fxi s HIS 62 Ca 0.15 1.44 0.11 0.00 -0.15 0.00 0.00 55.06 56.61 2fxi s HIS 62 Cb 0.18 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 2fxi s HIS 62 CO 0.66 -2.25 -0.22 0.95 -0.85 0.00 0.00 174.74 173.03 2fxi s THR 63 N -2.87 2.50 -0.41 1.30 -4.23 -1.26 -4.93 115.64 105.75 2fxi s THR 63 Ca 0.63 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 2fxi s THR 63 Cb -0.18 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2fxi s THR 63 CO 0.57 -0.03 0.36 -0.55 -0.54 0.00 0.00 174.62 174.43 2fxi s SER 64 N -2.45 6.15 0.18 3.99 0.15 -1.26 -4.97 113.70 115.48 2fxi s SER 64 Ca 0.19 -0.74 0.10 0.00 0.70 0.00 0.00 55.95 56.20 2fxi s SER 64 Cb -0.09 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 2fxi s SER 64 CO 0.09 -0.48 -0.20 -1.81 1.20 0.00 0.00 173.24 172.04 2fxi s ASP 65 N 1.74 2.96 0.60 5.45 1.01 -1.26 -4.84 116.67 122.33 2fxi s ASP 65 Ca 0.08 -0.87 -0.08 0.00 0.71 0.00 0.00 52.55 52.39 2fxi s ASP 65 Cb -0.18 -0.19 -0.01 0.00 1.01 0.00 0.00 42.92 43.54 2fxi s ASP 65 CO 0.12 0.02 0.95 -0.76 0.21 0.00 0.00 175.17 175.71 2fxi s LEU 66 N -2.68 3.25 0.12 1.23 1.43 -1.26 -0.52 118.68 120.25 2fxi s LEU 66 Ca 0.18 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.01 2fxi s LEU 66 Cb -0.07 -3.96 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 2fxi s LEU 66 CO 0.08 -0.96 1.64 -0.63 0.23 0.00 0.00 176.35 176.71 2fxi s ILE 67 N -3.07 2.74 -0.21 -0.59 1.01 -1.20 -4.66 121.20 115.23 2fxi s ILE 67 Ca 0.54 0.39 -0.08 0.00 0.00 0.00 0.00 60.65 61.50 2fxi s ILE 67 Cb -0.11 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2fxi s ILE 67 CO 0.49 0.01 0.09 -0.62 0.00 0.00 0.00 174.94 174.92 2fxi s ASP 68 N 1.82 5.71 0.34 3.58 2.15 -1.26 -5.00 116.67 124.01 2fxi s ASP 68 Ca 0.73 0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.78 2fxi s ASP 68 Cb -0.43 -2.00 0.59 0.00 -0.30 0.00 0.00 42.92 40.78 2fxi s ASP 68 CO 0.32 0.11 1.97 -0.55 -0.17 0.00 0.00 175.17 176.85 2fxi h ASN 69 N 7.18 0.71 -0.42 -0.34 7.08 -1.99 -2.07 115.58 125.73 2fxi h ASN 69 Ca -0.37 -0.05 -0.11 0.00 -3.08 0.00 0.00 56.30 52.69 2fxi h ASN 69 Cb 1.17 -0.18 -0.02 0.00 -2.08 0.00 0.00 38.32 37.21 2fxi h ASN 69 CO 0.67 0.57 -0.12 0.44 -2.08 0.00 0.00 177.43 176.91 2fxi h ASP 70 N 0.81 0.89 -0.33 6.14 3.32 -2.00 -1.80 116.42 123.46 2fxi h ASP 70 Ca 0.21 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.81 2fxi h ASP 70 Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2fxi h ASP 70 CO -0.04 1.02 -0.41 0.40 -1.72 0.00 0.00 179.24 178.49 2fxi h ILE 71 N 0.80 1.28 -0.36 0.35 2.04 -1.90 -2.89 117.51 116.83 2fxi h ILE 71 Ca 0.13 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.42 2fxi h ILE 71 Cb 0.65 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2fxi h ILE 71 CO 0.05 0.53 0.20 -0.07 0.00 0.00 0.00 178.15 178.86 2fxi h LEU 72 N 0.72 0.33 -1.76 1.44 3.38 -1.19 -1.82 115.31 116.40 2fxi h LEU 72 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2fxi h LEU 72 Cb 1.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2fxi h LEU 72 CO 0.10 0.24 0.14 0.11 0.09 0.00 0.00 178.44 179.12 2fxi h LYS 73 N 0.42 0.30 -0.62 1.13 6.56 -1.27 -2.00 116.57 121.08 2fxi h LYS 73 Ca 0.14 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2fxi h LYS 73 Cb 0.01 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 2fxi h LYS 73 CO -0.07 0.20 0.00 1.04 -2.06 0.00 0.00 179.45 178.56 2fxi n GLN 74 N -4.50 2.55 -2.79 3.15 1.13 -0.99 -4.96 117.38 110.98 2fxi n GLN 74 Ca 0.00 -2.40 -0.40 0.00 -1.94 0.00 0.00 57.00 52.27 2fxi n GLN 74 Cb 0.08 -1.52 -0.06 0.00 0.11 0.00 0.00 30.24 28.84 2fxi n GLN 74 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2fxi s SER 75 N -1.10 7.61 0.00 1.08 0.01 -0.72 -4.55 113.70 116.04 2fxi s SER 75 Ca 0.44 1.90 0.16 0.00 1.31 0.00 0.00 55.95 59.76 2fxi s SER 75 Cb 0.23 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.69 2fxi s SER 75 CO 0.31 0.17 0.70 0.47 0.41 0.00 0.00 173.24 175.29 2fxi n ASP 76 N 1.52 0.76 -3.68 2.44 8.00 0.29 -4.71 116.55 121.16 2fxi n ASP 76 Ca -0.03 0.34 -0.10 0.00 0.71 0.00 0.00 54.79 55.72 2fxi n ASP 76 Cb 0.47 0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.71 2fxi n ASP 76 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2fxi s LEU 77 N -5.79 -0.26 -0.17 0.64 2.96 -0.98 -3.77 118.68 111.30 2fxi s LEU 77 Ca -0.04 1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2fxi s LEU 77 Cb 0.08 1.52 -0.02 0.00 0.50 0.00 0.00 46.19 48.27 2fxi s LEU 77 CO 0.82 -0.20 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.91 2fxi s VAL 78 N 1.50 3.63 -0.22 1.68 1.01 -0.17 -1.26 120.40 126.57 2fxi s VAL 78 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2fxi s VAL 78 Cb -0.08 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2fxi s VAL 78 CO -0.14 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 2fxi s VAL 79 N 0.70 2.43 0.01 2.92 1.01 -0.18 -0.82 120.40 126.46 2fxi s VAL 79 Ca -0.03 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 2fxi s VAL 79 Cb -0.15 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 2fxi s VAL 79 CO 0.02 0.31 0.55 0.42 0.00 0.00 0.00 175.10 176.41 2fxi s THR 80 N 1.28 4.90 -1.93 3.92 -4.23 -0.07 -0.75 115.64 118.76 2fxi s THR 80 Ca 0.01 1.15 0.18 0.00 -1.18 0.00 0.00 61.69 61.85 2fxi s THR 80 Cb -0.16 -3.88 0.07 0.00 1.34 0.00 0.00 72.50 69.87 2fxi s THR 80 CO -0.08 0.47 0.99 0.18 -0.54 0.00 0.00 174.62 175.64 2fxi n LEU 81 N 2.39 2.11 -3.92 4.79 4.77 0.22 -1.01 117.00 126.35 2fxi n LEU 81 Ca -0.09 -0.88 -0.08 0.00 -0.03 0.00 0.00 56.01 54.93 2fxi n LEU 81 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2fxi n LEU 81 CO 0.42 0.38 0.35 0.00 -1.33 0.00 0.00 177.39 177.21 2fxi h SER 83 N 2.11 0.57 -0.45 0.00 4.64 -1.95 -1.50 113.55 116.97 2fxi h SER 83 Ca -0.23 -0.19 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2fxi h SER 83 Cb 1.25 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 2fxi h SER 83 CO 0.29 0.61 0.12 -0.78 -0.87 0.00 0.00 176.83 176.21 2fxi h ASP 84 N 0.50 0.08 -0.37 4.97 3.58 -1.97 0.19 116.42 123.40 2fxi h ASP 84 Ca 0.13 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2fxi h ASP 84 Cb 0.24 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2fxi h ASP 84 CO -0.01 0.08 0.06 0.00 -2.88 0.00 0.00 179.24 176.49 2fxi h ALA 85 N 1.32 0.49 -0.51 -0.78 0.00 -1.80 -0.49 119.26 117.49 2fxi h ALA 85 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2fxi h ALA 85 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2fxi h ALA 85 CO -0.25 0.20 0.20 0.22 0.00 0.00 0.00 179.25 179.62 2fxi h ASP 86 N 0.46 0.71 0.71 0.00 -0.00 -0.74 0.80 116.42 118.35 2fxi h ASP 86 Ca 0.11 -0.17 -0.18 0.00 -0.00 0.00 0.00 57.03 56.79 2fxi h ASP 86 Cb 0.36 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.49 2fxi h ASP 86 CO 0.01 0.68 -0.84 0.78 -0.00 0.00 0.00 179.24 179.87 2fxi h ASN 87 N 0.69 0.12 -0.51 2.28 2.35 -0.59 -3.29 115.58 116.62 2fxi h ASN 87 Ca 0.17 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2fxi h ASN 87 Cb 0.20 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2fxi h ASN 87 CO -0.01 0.90 0.00 0.59 -1.65 0.00 0.00 177.43 177.26 2fxi n ASN 88 N -3.61 3.47 -4.70 5.81 3.02 -0.20 -4.96 115.26 114.09 2fxi n ASN 88 Ca -0.02 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 2fxi n ASN 88 Cb 0.79 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 2fxi n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fxi n PRO 90 N 4.83 -0.49 -1.69 0.00 -0.04 -1.26 -4.85 135.00 131.49 2fxi n PRO 90 Ca 0.15 -0.08 -0.44 0.00 -0.04 0.00 0.00 63.50 63.08 2fxi n PRO 90 Cb 0.39 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 2fxi n PRO 90 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2fxi n ILE 91 N -4.10 0.09 -3.23 0.52 2.08 -1.26 -4.97 119.36 108.48 2fxi n ILE 91 Ca 0.10 -0.02 -0.26 0.00 0.56 0.00 0.00 62.75 63.14 2fxi n ILE 91 Cb 0.53 -1.82 -0.01 0.00 -0.75 0.00 0.00 39.64 37.58 2fxi n ILE 91 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2fxi s LEU 92 N 1.46 3.96 0.62 1.39 1.43 -1.26 -5.06 118.68 121.22 2fxi s LEU 92 Ca 0.79 0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 54.30 2fxi s LEU 92 Cb -0.58 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 2fxi s LEU 92 CO 0.36 -0.32 1.31 -2.65 0.23 0.00 0.00 176.35 175.28 2fxi n PRO 93 N -1.64 1.28 0.02 1.29 -0.02 -1.26 -4.87 135.00 129.80 2fxi n PRO 93 Ca -0.03 0.49 0.20 0.00 -2.02 0.00 0.00 63.50 62.15 2fxi n PRO 93 Cb 0.55 -2.54 0.71 0.00 -0.02 0.00 0.00 33.50 32.20 2fxi n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2fxi h PRO 94 N 0.79 0.00 -0.02 0.52 0.11 -2.00 -2.39 132.00 129.00 2fxi h PRO 94 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2fxi h PRO 94 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2fxi h PRO 94 CO 0.54 0.00 -0.13 0.27 -0.21 0.00 0.00 178.00 178.47 2fxi n ASN 95 N -4.24 2.09 -4.69 -2.05 6.94 -1.26 -4.92 115.26 107.13 2fxi n ASN 95 Ca 0.09 -1.60 -0.40 0.00 -0.02 0.00 0.00 54.58 52.66 2fxi n ASN 95 Cb 0.61 0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 38.09 2fxi n ASN 95 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2fxi s VAL 96 N -2.17 5.05 0.28 3.53 1.01 -0.90 -5.05 120.40 122.16 2fxi s VAL 96 Ca 0.28 1.26 -0.23 0.00 0.00 0.00 0.00 61.98 63.30 2fxi s VAL 96 Cb 0.20 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2fxi s VAL 96 CO 0.40 0.19 0.85 -0.54 0.00 0.00 0.00 175.10 176.00 2fxi s LYS 97 N 1.30 4.42 -0.02 2.72 1.02 -1.25 -4.86 119.74 123.07 2fxi s LYS 97 Ca 0.32 1.12 0.03 0.00 0.02 0.00 0.00 55.97 57.45 2fxi s LYS 97 Cb -0.16 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2fxi s LYS 97 CO 0.13 0.31 -0.10 0.21 -0.92 0.00 0.00 175.35 174.98 2fxi s LYS 98 N -2.08 1.06 0.05 1.68 2.20 -1.26 -1.00 119.74 120.38 2fxi s LYS 98 Ca 0.48 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 2fxi s LYS 98 Cb -0.17 -0.98 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 2fxi s LYS 98 CO 0.22 0.15 -0.09 -1.21 -0.36 0.00 0.00 175.35 174.07 2fxi s GLU 99 N 0.09 0.59 -0.28 4.03 2.02 -0.00 -4.96 118.70 120.18 2fxi s GLU 99 Ca -0.02 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.14 2fxi s GLU 99 Cb -0.08 -0.38 0.04 0.00 0.10 0.00 0.00 34.13 33.80 2fxi s GLU 99 CO 0.00 0.07 -0.01 -1.58 0.02 0.00 0.00 175.26 173.77 2fxi s HIS 100 N -1.43 3.19 -0.53 1.61 5.65 -1.26 -0.89 115.29 121.63 2fxi s HIS 100 Ca -0.08 -1.69 -0.04 0.00 0.25 0.00 0.00 55.06 53.50 2fxi s HIS 100 Cb -0.10 -2.11 0.14 0.00 -1.18 0.00 0.00 32.58 29.34 2fxi s HIS 100 CO 0.01 -0.76 0.35 -1.58 -0.65 0.00 0.00 174.74 172.11 2fxi s TRP 101 N 1.30 3.49 0.18 3.88 0.51 -0.18 -4.96 118.94 123.17 2fxi s TRP 101 Ca -0.03 -2.49 -0.30 0.00 -2.12 0.00 0.00 56.10 51.16 2fxi s TRP 101 Cb -0.19 -3.26 -0.08 0.00 -0.81 0.00 0.00 33.47 29.13 2fxi s TRP 101 CO -0.02 -0.91 1.08 0.20 -0.51 0.00 0.00 176.95 176.79 2fxi s GLY 102 N 1.38 2.89 0.02 0.98 0.00 -1.26 -4.15 107.32 107.19 2fxi s GLY 102 Ca 0.12 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.66 2fxi s GLY 102 CO -0.04 1.60 -0.07 -1.36 0.00 0.00 0.00 173.10 173.24 2fxi s PHE 103 N -0.34 0.57 0.55 1.90 0.40 -0.81 -5.01 117.98 115.24 2fxi s PHE 103 Ca 0.48 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 56.28 2fxi s PHE 103 Cb -0.29 -0.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 2fxi s PHE 103 CO 0.35 -0.05 1.21 -0.51 0.70 0.00 0.00 175.22 176.91 2fxi s ASP 104 N -0.97 5.45 -0.30 1.36 1.01 -1.26 -4.77 116.67 117.19 2fxi s ASP 104 Ca -0.05 2.40 -0.28 0.00 0.71 0.00 0.00 52.55 55.33 2fxi s ASP 104 Cb -0.07 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.27 2fxi s ASP 104 CO 0.00 -1.42 1.01 -0.62 0.21 0.00 0.00 175.17 174.35 2fxi s ASP 105 N -1.48 6.90 0.07 0.27 -1.08 -1.26 -4.92 116.67 115.17 2fxi s ASP 105 Ca 0.73 1.02 0.28 0.00 -0.52 0.00 0.00 52.55 54.07 2fxi s ASP 105 Cb -0.31 -2.51 1.07 0.00 -1.46 0.00 0.00 42.92 39.71 2fxi s ASP 105 CO 0.35 -0.79 1.86 -0.81 0.52 0.00 0.00 175.17 176.30 2fxi n PRO 106 N 6.63 0.08 -1.59 4.34 -0.04 -1.26 -4.94 135.00 138.23 2fxi n PRO 106 Ca 0.10 0.07 -0.53 0.00 -0.04 0.00 0.00 63.50 63.10 2fxi n PRO 106 Cb 0.47 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 2fxi n PRO 106 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fxi n ALA 107 N -1.59 -1.21 -0.88 0.55 0.00 -1.26 -1.35 120.51 114.77 2fxi n ALA 107 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2fxi n ALA 107 Cb 0.37 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2fxi n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fxi n GLY 108 N 2.53 1.23 4.01 0.00 0.00 -1.26 -5.02 105.19 106.68 2fxi n GLY 108 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2fxi n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fxi s LYS 109 N -0.01 2.45 0.88 1.61 3.01 -0.46 -5.10 119.74 122.12 2fxi s LYS 109 Ca 0.00 -1.56 -0.11 0.00 -1.01 0.00 0.00 55.97 53.28 2fxi s LYS 109 Cb 0.00 -2.62 0.12 0.00 -1.01 0.00 0.00 37.83 34.32 2fxi s LYS 109 CO 0.00 -0.65 1.09 -1.21 0.51 0.00 0.00 175.35 175.09 2fxi s GLU 110 N -4.52 1.41 0.28 1.68 2.02 -1.26 -4.89 118.70 113.42 2fxi s GLU 110 Ca 0.57 0.91 -0.02 0.00 0.02 0.00 0.00 54.97 56.46 2fxi s GLU 110 Cb -0.06 -1.82 0.62 0.00 0.10 0.00 0.00 34.13 32.97 2fxi s GLU 110 CO 0.35 -2.16 1.61 2.35 0.02 0.00 0.00 175.26 177.43 2fxi h TRP 111 N -1.49 0.02 -0.77 1.61 -0.00 -1.98 -0.35 115.95 112.99 2fxi h TRP 111 Ca -0.48 0.06 0.14 0.00 -0.00 0.00 0.00 58.89 58.61 2fxi h TRP 111 Cb 1.27 0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 30.51 2fxi h TRP 111 CO 0.46 -0.32 0.51 0.66 -0.00 0.00 0.00 178.44 179.74 2fxi h SER 112 N 0.08 0.45 0.09 2.65 4.64 -1.99 -1.22 113.55 118.25 2fxi h SER 112 Ca 0.52 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.76 2fxi h SER 112 Cb 1.01 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2fxi h SER 112 CO -0.78 0.24 -0.33 -0.33 -0.87 0.00 0.00 176.83 174.76 2fxi h GLU 113 N 0.48 0.34 -0.07 4.77 4.39 -1.40 -0.73 114.58 122.37 2fxi h GLU 113 Ca 0.37 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.75 2fxi h GLU 113 Cb 0.78 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2fxi h GLU 113 CO -0.13 0.64 -0.74 0.74 -1.16 0.00 0.00 179.01 178.35 2fxi h PHE 114 N 0.30 0.53 -0.37 4.33 -1.00 -1.29 -2.09 116.94 117.35 2fxi h PHE 114 Ca 0.04 -0.24 -0.03 0.00 2.81 0.00 0.00 57.97 60.55 2fxi h PHE 114 Cb 0.73 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 2fxi h PHE 114 CO 0.02 1.00 0.11 1.96 -1.61 0.00 0.00 178.31 179.79 2fxi h GLN 115 N 0.26 0.58 0.21 1.51 4.20 -1.02 0.53 115.11 121.39 2fxi h GLN 115 Ca -0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2fxi h GLN 115 Cb 1.32 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2fxi h GLN 115 CO 0.13 0.60 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.69 2fxi h ARG 116 N 0.45 -0.28 -0.59 1.46 1.12 -1.08 -2.11 114.38 113.35 2fxi h ARG 116 Ca 0.12 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.95 2fxi h ARG 116 Cb 0.26 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 2fxi h ARG 116 CO -0.00 -0.13 0.12 0.28 -3.11 0.00 0.00 179.97 177.13 2fxi h VAL 117 N -0.36 1.24 -0.48 0.20 2.07 -1.36 -1.64 116.25 115.92 2fxi h VAL 117 Ca -0.03 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.65 2fxi h VAL 117 Cb 0.28 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2fxi h VAL 117 CO 0.05 0.34 0.15 -0.09 0.02 0.00 0.00 177.57 178.04 2fxi h ARG 118 N 0.89 0.30 0.00 1.57 2.43 -0.75 -1.22 114.38 117.60 2fxi h ARG 118 Ca 0.19 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2fxi h ARG 118 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2fxi h ARG 118 CO 0.00 0.20 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.85 2fxi h ASP 119 N 0.31 0.00 -0.18 -3.80 3.32 -1.01 -1.72 116.42 113.34 2fxi h ASP 119 Ca 0.23 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 2fxi h ASP 119 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2fxi h ASP 119 CO -0.26 0.37 -0.58 -0.33 -1.72 0.00 0.00 179.24 176.73 2fxi h GLU 120 N 0.00 0.78 -0.55 3.56 5.08 -0.83 -2.33 114.58 120.29 2fxi h GLU 120 Ca -0.00 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 2fxi h GLU 120 Cb 1.12 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2fxi h GLU 120 CO 0.05 1.14 0.06 0.82 -1.00 0.00 0.00 179.01 180.08 2fxi h ILE 121 N 0.59 1.26 -0.16 3.13 2.04 -1.14 -2.03 117.51 121.19 2fxi h ILE 121 Ca 0.00 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.89 2fxi h ILE 121 Cb 1.18 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2fxi h ILE 121 CO 0.12 0.36 -0.08 0.50 0.00 0.00 0.00 178.15 179.06 2fxi h LYS 122 N 0.81 -0.06 -0.92 2.37 3.64 -1.20 -1.59 116.57 119.62 2fxi h LYS 122 Ca 0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2fxi h LYS 122 Cb 0.45 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2fxi h LYS 122 CO 0.02 -0.04 0.54 1.25 -2.27 0.00 0.00 179.45 178.95 2fxi h LEU 123 N -0.06 1.11 -0.73 5.20 5.85 -1.26 -0.03 115.31 125.39 2fxi h LEU 123 Ca 0.09 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2fxi h LEU 123 Cb 0.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2fxi h LEU 123 CO -0.20 0.86 0.26 0.00 -0.34 0.00 0.00 178.44 179.02 2fxi h ALA 124 N 1.30 0.95 -0.08 1.25 0.00 -1.00 -0.82 119.26 120.86 2fxi h ALA 124 Ca 0.33 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2fxi h ALA 124 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2fxi h ALA 124 CO -0.06 0.61 -0.72 0.82 0.00 0.00 0.00 179.25 179.90 2fxi h ILE 125 N 1.07 1.38 -0.50 0.00 2.04 -0.94 -1.40 117.51 119.16 2fxi h ILE 125 Ca 0.24 -2.13 -0.06 0.00 1.00 0.00 0.00 64.86 63.91 2fxi h ILE 125 Cb 0.26 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2fxi h ILE 125 CO -0.01 0.64 0.07 -0.33 0.00 0.00 0.00 178.15 178.52 2fxi h GLU 126 N 0.28 0.83 -0.45 2.37 5.08 -0.71 -1.87 114.58 120.10 2fxi h GLU 126 Ca -0.03 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 2fxi h GLU 126 Cb 1.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2fxi h GLU 126 CO 0.12 0.83 -0.10 0.87 -1.00 0.00 0.00 179.01 179.73 2fxi h LYS 127 N 0.71 0.87 -0.51 2.33 1.57 -1.12 -2.96 116.57 117.46 2fxi h LYS 127 Ca 0.15 -0.33 0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2fxi h LYS 127 Cb 0.41 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 2fxi h LYS 127 CO 0.01 0.97 0.16 0.35 -0.57 0.00 0.00 179.45 180.37 2fxi h PHE 128 N 0.71 0.27 -0.52 -1.35 3.57 -1.08 -0.81 116.94 117.73 2fxi h PHE 128 Ca 0.12 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.71 2fxi h PHE 128 Cb 0.65 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2fxi h PHE 128 CO 0.05 0.06 0.35 -0.22 -2.23 0.00 0.00 178.31 176.32 2fxi h LYS 129 N 0.32 0.41 -0.73 1.11 3.64 -1.20 -2.42 116.57 117.70 2fxi h LYS 129 Ca 0.25 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2fxi h LYS 129 Cb 0.29 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2fxi h LYS 129 CO -0.28 0.27 0.02 1.28 -2.27 0.00 0.00 179.45 178.48 2fxi n LEU 130 N -4.47 4.32 0.00 5.20 4.77 -0.32 -5.12 117.00 121.37 2fxi n LEU 130 Ca 0.07 -2.20 0.09 0.00 -0.03 0.00 0.00 56.01 53.95 2fxi n LEU 130 Cb 0.28 -0.63 0.56 0.00 -2.33 0.00 0.00 43.42 41.29 2fxi n LEU 130 CO 0.34 0.53 0.76 0.54 -1.33 0.00 0.00 177.39 178.23