#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgz n ASP 3 N 0.00 2.92 0.04 0.00 2.03 -1.26 -4.86 116.55 115.42 3fgz n ASP 3 Ca 0.00 0.81 0.06 0.00 0.52 0.00 0.00 54.79 56.18 3fgz n ASP 3 Cb 0.00 -1.31 0.28 0.00 -0.72 0.00 0.00 41.12 39.37 3fgz n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3fgz n LYS 4 N 6.92 0.04 0.00 -0.67 4.76 -1.26 -0.73 118.16 127.22 3fgz n LYS 4 Ca 0.28 0.38 0.14 0.00 -2.87 0.00 0.00 58.31 56.24 3fgz n LYS 4 Cb 0.26 -1.60 0.51 0.00 -1.84 0.00 0.00 35.03 32.35 3fgz n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3fgz n GLU 5 N -1.69 1.05 -1.61 1.97 -0.58 -1.26 -4.24 120.64 114.29 3fgz n GLU 5 Ca 0.02 -0.54 -0.55 0.00 -0.42 0.00 0.00 57.16 55.67 3fgz n GLU 5 Cb 0.12 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.43 3fgz n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3fgz n LEU 6 N -0.50 1.48 -4.59 -4.62 7.94 0.09 -4.83 117.00 111.96 3fgz n LEU 6 Ca 0.15 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.77 3fgz n LEU 6 Cb 0.32 -1.12 -0.07 0.00 0.53 0.00 0.00 43.42 43.08 3fgz n LEU 6 CO 0.22 -1.06 0.29 -0.75 -1.11 0.00 0.00 177.39 174.97 3fgz s LYS 7 N 1.16 3.86 0.01 1.96 2.20 -1.26 -4.47 119.74 123.20 3fgz s LYS 7 Ca 0.90 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 56.55 3fgz s LYS 7 Cb -1.06 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 31.47 3fgz s LYS 7 CO 0.54 -0.53 0.33 -0.06 -0.36 0.00 0.00 175.35 175.27 3fgz s PHE 8 N 2.44 3.62 -0.19 4.03 0.40 -0.31 -0.64 117.98 127.34 3fgz s PHE 8 Ca 0.22 0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 57.27 3fgz s PHE 8 Cb -0.15 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.27 3fgz s PHE 8 CO 0.12 0.60 -0.12 -1.17 0.70 0.00 0.00 175.22 175.35 3fgz s LEU 9 N -1.57 2.57 -0.25 -0.37 2.96 -0.02 -1.12 118.68 120.88 3fgz s LEU 9 Ca 0.27 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3fgz s LEU 9 Cb -0.14 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3fgz s LEU 9 CO 0.15 0.03 0.04 -0.69 -1.32 0.00 0.00 176.35 174.55 3fgz s VAL 10 N 1.18 3.94 -0.16 1.68 1.01 0.13 -0.48 120.40 127.69 3fgz s VAL 10 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3fgz s VAL 10 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3fgz s VAL 10 CO -0.05 0.31 -0.18 -0.69 0.00 0.00 0.00 175.10 174.49 3fgz s VAL 11 N 1.55 1.87 -0.20 2.92 1.01 0.65 -1.22 120.40 126.98 3fgz s VAL 11 Ca 0.05 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3fgz s VAL 11 Cb -0.15 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.64 3fgz s VAL 11 CO 0.01 0.51 0.94 -0.62 0.00 0.00 0.00 175.10 175.94 3fgz s ASP 12 N 1.30 -0.48 0.00 3.32 -1.08 -0.94 -0.19 116.67 118.61 3fgz s ASP 12 Ca 0.03 0.72 0.29 0.00 -0.52 0.00 0.00 52.55 53.08 3fgz s ASP 12 Cb -0.13 0.67 1.35 0.00 -1.46 0.00 0.00 42.92 43.35 3fgz s ASP 12 CO -0.11 -0.29 1.97 -0.90 0.52 0.00 0.00 175.17 176.36 3fgz n ASP 13 N 1.51 0.00 -4.44 -0.34 5.75 -1.20 -4.26 116.55 113.57 3fgz n ASP 13 Ca -0.13 0.18 -0.38 0.00 -0.01 0.00 0.00 54.79 54.46 3fgz n ASP 13 Cb 0.57 -0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 40.15 3fgz n ASP 13 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3fgz s GLU 14 N -2.78 3.45 0.39 0.11 2.02 -1.26 -4.99 118.70 115.64 3fgz s GLU 14 Ca 0.21 -0.63 0.12 0.00 0.02 0.00 0.00 54.97 54.69 3fgz s GLU 14 Cb 0.19 -3.47 0.93 0.00 0.10 0.00 0.00 34.13 31.88 3fgz s GLU 14 CO 0.48 -0.33 1.89 1.03 0.02 0.00 0.00 175.26 178.35 3fgz h SER 15 N 8.30 0.54 -0.52 -0.19 0.87 -2.00 -1.97 113.55 118.58 3fgz h SER 15 Ca -0.34 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 3fgz h SER 15 Cb 1.16 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 3fgz h SER 15 CO 0.60 0.27 0.24 0.74 -0.53 0.00 0.00 176.83 178.15 3fgz h THR 16 N 0.57 1.20 -0.33 2.23 2.02 -1.97 -1.40 112.91 115.23 3fgz h THR 16 Ca 0.42 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3fgz h THR 16 Cb 0.80 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3fgz h THR 16 CO -0.17 0.23 -0.31 -0.03 0.37 0.00 0.00 175.52 175.61 3fgz h MET 17 N 0.70 0.71 -0.43 6.66 -1.53 -1.79 -1.35 114.93 117.91 3fgz h MET 17 Ca 0.18 -0.32 -0.05 0.00 -3.44 0.00 0.00 59.70 56.07 3fgz h MET 17 Cb 0.13 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 3fgz h MET 17 CO -0.02 0.93 0.07 0.00 0.14 0.00 0.00 176.91 178.03 3fgz h ARG 18 N 0.61 0.65 -0.31 0.39 3.08 -1.24 -1.94 114.38 115.62 3fgz h ARG 18 Ca 0.07 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 3fgz h ARG 18 Cb 0.83 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3fgz h ARG 18 CO 0.07 0.62 -0.22 -0.09 -1.07 0.00 0.00 179.97 179.29 3fgz h ARG 19 N 0.63 0.69 -0.25 0.04 2.43 -0.90 0.50 114.38 117.52 3fgz h ARG 19 Ca 0.14 -0.33 0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3fgz h ARG 19 Cb 0.30 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3fgz h ARG 19 CO 0.00 0.94 -0.16 0.82 -1.51 0.00 0.00 179.97 180.06 3fgz h ILE 20 N 0.44 0.53 -0.27 1.20 2.04 -1.12 -1.04 117.51 119.29 3fgz h ILE 20 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 3fgz h ILE 20 Cb 0.77 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3fgz h ILE 20 CO 0.06 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.71 3fgz h VAL 21 N -0.15 1.29 -0.71 1.67 2.07 -1.15 -0.73 116.25 118.53 3fgz h VAL 21 Ca 0.14 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3fgz h VAL 21 Cb 0.36 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3fgz h VAL 21 CO -0.34 0.35 0.40 -0.09 0.02 0.00 0.00 177.57 177.91 3fgz h ARG 22 N 0.28 0.99 -0.44 1.57 2.43 -0.84 -1.02 114.38 117.35 3fgz h ARG 22 Ca 0.07 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3fgz h ARG 22 Cb 0.56 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3fgz h ARG 22 CO 0.03 0.73 -0.13 -0.91 -1.51 0.00 0.00 179.97 178.17 3fgz h ASN 23 N 0.98 0.81 -0.39 -3.80 4.21 -1.02 -1.38 115.58 114.98 3fgz h ASN 23 Ca 0.25 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3fgz h ASN 23 Cb 0.02 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 3fgz h ASN 23 CO -0.04 0.95 0.26 -0.07 -1.29 0.00 0.00 177.43 177.24 3fgz h LEU 24 N 0.73 0.45 -0.68 1.61 3.38 -0.91 -1.75 115.31 118.14 3fgz h LEU 24 Ca 0.12 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3fgz h LEU 24 Cb 0.63 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3fgz h LEU 24 CO 0.04 0.33 0.41 -0.07 0.09 0.00 0.00 178.44 179.24 3fgz h LEU 25 N 0.53 0.66 -0.26 1.67 3.38 -1.02 -1.83 115.31 118.43 3fgz h LEU 25 Ca 0.14 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3fgz h LEU 25 Cb -0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fgz h LEU 25 CO -0.03 0.45 0.12 0.50 0.09 0.00 0.00 178.44 179.57 3fgz h LYS 26 N 0.80 0.25 -0.96 1.13 3.64 -1.01 0.64 116.57 121.06 3fgz h LYS 26 Ca 0.28 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 3fgz h LYS 26 Cb 0.06 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 3fgz h LYS 26 CO -0.12 0.17 0.61 1.49 -2.27 0.00 0.00 179.45 179.32 3fgz h GLU 27 N 0.26 0.90 0.00 1.90 4.57 -0.96 -0.60 114.58 120.64 3fgz h GLU 27 Ca 0.11 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3fgz h GLU 27 Cb 0.05 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3fgz h GLU 27 CO -0.09 0.59 0.00 1.28 -1.18 0.00 0.00 179.01 179.62 3fgz n LEU 28 N -4.58 0.00 0.00 1.64 4.77 -0.68 -4.88 117.00 113.27 3fgz n LEU 28 Ca 0.18 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3fgz n LEU 28 Cb 0.36 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3fgz n LEU 28 CO 0.29 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3fgz n GLY 29 N 0.95 0.80 3.45 -0.72 0.00 -0.23 -5.07 105.19 104.37 3fgz n GLY 29 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3fgz n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fgz s PHE 30 N -2.00 3.24 -0.57 1.61 0.08 0.13 -4.80 117.98 115.67 3fgz s PHE 30 Ca 0.00 -0.63 0.15 0.00 0.12 0.00 0.00 56.93 56.57 3fgz s PHE 30 Cb 0.00 -2.58 -0.17 0.00 -0.57 0.00 0.00 43.02 39.70 3fgz s PHE 30 CO 0.00 -0.60 0.57 0.09 -0.10 0.00 0.00 175.22 175.18 3fgz n ASN 31 N 5.14 0.84 -4.53 1.36 3.02 -1.26 -2.97 115.26 116.87 3fgz n ASN 31 Ca -0.11 -0.69 -0.43 0.00 -0.03 0.00 0.00 54.58 53.31 3fgz n ASN 31 Cb 0.47 1.12 -0.01 0.00 -0.61 0.00 0.00 39.78 40.76 3fgz n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3fgz s ASN 32 N -2.63 6.86 -0.04 6.41 2.47 -1.26 -4.93 114.94 121.81 3fgz s ASN 32 Ca 0.04 -2.48 0.01 0.00 0.42 0.00 0.00 52.86 50.85 3fgz s ASN 32 Cb 0.11 -2.50 0.02 0.00 -1.45 0.00 0.00 41.25 37.43 3fgz s ASN 32 CO 0.61 -1.06 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.21 3fgz s VAL 33 N 3.27 0.45 0.29 -5.21 1.01 -1.26 -1.16 120.40 117.80 3fgz s VAL 33 Ca 0.47 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3fgz s VAL 33 Cb 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 3fgz s VAL 33 CO 0.01 0.21 -0.10 -1.61 0.00 0.00 0.00 175.10 173.62 3fgz s GLU 34 N 1.00 1.63 0.16 2.72 0.41 -0.28 -4.98 118.70 119.37 3fgz s GLU 34 Ca -0.10 -1.81 0.10 0.00 -0.41 0.00 0.00 54.97 52.75 3fgz s GLU 34 Cb -0.14 -1.42 -0.04 0.00 -1.78 0.00 0.00 34.13 30.75 3fgz s GLU 34 CO -0.01 0.13 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.45 3fgz s GLU 35 N -3.65 1.38 -0.03 1.61 2.02 -1.26 -0.70 118.70 118.07 3fgz s GLU 35 Ca 0.30 -1.41 -0.07 0.00 0.02 0.00 0.00 54.97 53.81 3fgz s GLU 35 Cb 0.02 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.57 3fgz s GLU 35 CO 0.13 0.37 0.16 0.00 0.02 0.00 0.00 175.26 175.94 3fgz s ALA 36 N -1.53 -0.38 -0.85 5.21 0.00 -0.35 -4.89 121.76 118.96 3fgz s ALA 36 Ca 0.16 0.16 0.22 0.00 0.00 0.00 0.00 51.96 52.50 3fgz s ALA 36 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3fgz s ALA 36 CO 0.07 -0.15 0.99 -0.85 0.00 0.00 0.00 175.76 175.83 3fgz n GLU 37 N 2.15 0.10 -3.84 0.00 0.28 -1.26 -2.21 120.64 115.86 3fgz n GLU 37 Ca -0.18 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.16 56.74 3fgz n GLU 37 Cb 0.57 -1.52 0.02 0.00 1.43 0.00 0.00 31.44 31.95 3fgz n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3fgz s ASP 38 N -3.29 0.02 0.31 -1.84 1.47 -1.26 -3.28 116.67 108.81 3fgz s ASP 38 Ca 0.07 -0.97 0.02 0.00 1.18 0.00 0.00 52.55 52.85 3fgz s ASP 38 Cb 0.16 0.70 0.52 0.00 -0.34 0.00 0.00 42.92 43.96 3fgz s ASP 38 CO 0.83 -1.40 1.85 1.23 0.68 0.00 0.00 175.17 178.35 3fgz h GLY 39 N 2.00 0.67 0.62 2.12 0.00 -1.37 -0.53 103.07 106.58 3fgz h GLY 39 Ca -0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3fgz h GLY 39 CO 0.40 0.37 -0.03 -2.08 0.00 0.00 0.00 176.54 175.20 3fgz h VAL 40 N 0.60 1.34 -0.65 4.60 2.07 -1.87 -1.28 116.25 121.06 3fgz h VAL 40 Ca 0.13 -1.08 0.11 0.00 0.82 0.00 0.00 66.70 66.68 3fgz h VAL 40 Cb 0.34 1.97 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 3fgz h VAL 40 CO 0.01 0.29 0.25 -0.78 0.02 0.00 0.00 177.57 177.36 3fgz h ASP 41 N -0.31 0.24 -0.08 0.57 3.58 -1.93 -2.02 116.42 116.48 3fgz h ASP 41 Ca 0.01 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3fgz h ASP 41 Cb 0.48 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 3fgz h ASP 41 CO 0.01 0.13 0.05 0.00 -2.88 0.00 0.00 179.24 176.55 3fgz h ALA 42 N 1.45 0.10 -0.92 -0.78 0.00 -1.00 -2.12 119.26 115.99 3fgz h ALA 42 Ca 0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3fgz h ALA 42 Cb 0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3fgz h ALA 42 CO -0.33 -0.40 0.60 -0.07 0.00 0.00 0.00 179.25 179.05 3fgz h LEU 43 N 0.08 0.98 -0.36 0.00 3.38 -0.94 0.71 115.31 119.17 3fgz h LEU 43 Ca 0.03 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3fgz h LEU 43 Cb 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3fgz h LEU 43 CO -0.01 0.66 -0.00 0.78 0.09 0.00 0.00 178.44 179.96 3fgz h ASN 44 N 1.14 -0.15 -0.47 -0.43 -0.26 -1.11 0.14 115.58 114.44 3fgz h ASN 44 Ca 0.38 0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 56.15 3fgz h ASN 44 Cb 0.05 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 3fgz h ASN 44 CO -0.13 -0.04 0.09 0.11 -1.06 0.00 0.00 177.43 176.40 3fgz h LYS 45 N 0.10 0.76 -0.73 0.81 1.57 -0.79 -2.70 116.57 115.58 3fgz h LYS 45 Ca 0.17 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fgz h LYS 45 Cb 0.24 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3fgz h LYS 45 CO -0.29 0.77 0.48 -0.07 -0.57 0.00 0.00 179.45 179.76 3fgz h LEU 46 N 0.64 0.85 -1.78 2.94 3.38 -0.60 -2.12 115.31 118.61 3fgz h LEU 46 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3fgz h LEU 46 Cb 0.36 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fgz h LEU 46 CO 0.01 0.62 -0.11 -0.61 0.09 0.00 0.00 178.44 178.44 3fgz h GLN 47 N 0.99 0.00 0.00 1.13 4.15 -0.90 -1.55 115.11 118.94 3fgz h GLN 47 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 3fgz h GLN 47 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3fgz h GLN 47 CO -0.06 0.11 0.00 0.00 -1.93 0.00 0.00 178.83 176.95 3fgz h ALA 48 N 1.89 1.00 0.00 3.38 0.00 -1.04 -3.49 119.26 121.00 3fgz h ALA 48 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fgz h ALA 48 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fgz h ALA 48 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3fgz n GLY 49 N -0.17 0.54 0.00 0.00 0.00 -0.58 -5.03 105.19 99.96 3fgz n GLY 49 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3fgz n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgz n GLY 50 N 0.61 2.28 3.75 -0.02 0.00 -1.26 -4.95 105.19 105.59 3fgz n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3fgz n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fgz s TYR 51 N -2.63 3.60 -0.28 1.61 2.02 -1.26 -4.57 117.35 115.84 3fgz s TYR 51 Ca 0.00 1.66 0.03 0.00 -0.37 0.00 0.00 57.07 58.39 3fgz s TYR 51 Cb 0.00 -3.27 0.01 0.00 -0.40 0.00 0.00 41.96 38.30 3fgz s TYR 51 CO 0.00 -0.54 0.47 0.41 -1.57 0.00 0.00 175.55 174.32 3fgz n GLY 52 N 1.55 -0.74 3.64 0.71 0.00 0.19 -4.96 105.19 105.57 3fgz n GLY 52 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3fgz n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fgz s PHE 53 N -0.46 -0.77 -0.09 1.61 2.19 -1.06 -4.34 117.98 115.06 3fgz s PHE 53 Ca 0.03 1.72 0.04 0.00 0.33 0.00 0.00 56.93 59.04 3fgz s PHE 53 Cb 0.02 0.40 -0.01 0.00 -1.31 0.00 0.00 43.02 42.12 3fgz s PHE 53 CO 0.05 -0.37 -0.21 0.08 1.83 0.00 0.00 175.22 176.60 3fgz s VAL 54 N 0.80 2.38 -0.16 3.12 1.01 0.30 -0.84 120.40 127.01 3fgz s VAL 54 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3fgz s VAL 54 Cb -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3fgz s VAL 54 CO -0.08 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 3fgz s ILE 55 N 0.12 2.51 -0.02 2.22 1.01 0.37 -0.64 121.20 126.77 3fgz s ILE 55 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3fgz s ILE 55 Cb -0.16 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.27 3fgz s ILE 55 CO 0.06 0.52 -0.03 -0.55 0.00 0.00 0.00 174.94 174.94 3fgz s SER 56 N 0.94 0.52 1.04 3.58 0.15 -0.04 -0.25 113.70 119.64 3fgz s SER 56 Ca -0.03 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.43 3fgz s SER 56 Cb -0.15 -0.17 0.21 0.00 -1.71 0.00 0.00 66.02 64.21 3fgz s SER 56 CO -0.03 -0.01 1.07 -0.62 1.20 0.00 0.00 173.24 174.85 3fgz s ASP 57 N 0.41 2.16 -0.07 5.45 2.15 0.74 -0.45 116.67 127.05 3fgz s ASP 57 Ca -0.04 1.45 -0.08 0.00 0.43 0.00 0.00 52.55 54.31 3fgz s ASP 57 Cb -0.07 -2.15 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 3fgz s ASP 57 CO -0.01 -3.46 -0.15 1.87 -0.17 0.00 0.00 175.17 173.26 3fgz n TRP 58 N -4.42 0.00 -2.44 -5.34 -0.00 -1.26 -3.64 117.44 100.35 3fgz n TRP 58 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.13 3fgz n TRP 58 Cb 0.55 -0.22 -0.02 0.00 -0.00 0.00 0.00 31.31 31.62 3fgz n TRP 58 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 3fgz s MET 59 N -1.87 3.53 -0.10 5.87 1.00 -1.26 -0.65 119.30 125.81 3fgz s MET 59 Ca -0.13 0.66 -0.18 0.00 0.00 0.00 0.00 55.69 56.05 3fgz s MET 59 Cb 0.02 -4.03 0.04 0.00 0.00 0.00 0.00 34.83 30.86 3fgz s MET 59 CO 0.19 -1.64 0.44 -1.64 0.00 0.00 0.00 175.02 172.37 3fgz s MET 60 N 4.99 0.66 0.89 2.03 -1.94 -1.26 -4.70 119.30 119.97 3fgz s MET 60 Ca 0.54 0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 54.70 3fgz s MET 60 Cb -0.11 0.31 0.13 0.00 2.01 0.00 0.00 34.83 37.17 3fgz s MET 60 CO 0.30 -0.14 1.10 -1.25 -0.01 0.00 0.00 175.02 175.01 3fgz s PRO 61 N -0.50 1.30 0.00 2.03 0.04 -1.26 -3.56 135.00 133.04 3fgz s PRO 61 Ca -0.06 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3fgz s PRO 61 Cb -0.03 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3fgz s PRO 61 CO 0.03 -2.18 0.00 0.09 0.04 0.00 0.00 177.00 174.98 3fgz n ASN 62 N -3.83 0.00 -3.65 6.66 3.02 -1.26 -4.36 115.26 111.84 3fgz n ASN 62 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.58 3fgz n ASN 62 Cb 0.56 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 3fgz n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3fgz s MET 63 N 0.00 0.50 0.91 3.52 1.75 -1.26 -4.80 119.30 119.92 3fgz s MET 63 Ca 0.00 1.31 -0.12 0.00 -1.25 0.00 0.00 55.69 55.63 3fgz s MET 63 Cb 0.00 0.67 0.14 0.00 2.84 0.00 0.00 34.83 38.48 3fgz s MET 63 CO 0.00 -0.21 1.11 0.16 -0.65 0.00 0.00 175.02 175.42 3fgz s ASP 64 N 2.76 3.43 0.41 1.11 1.47 -1.23 -1.23 116.67 123.38 3fgz s ASP 64 Ca -0.05 1.22 0.18 0.00 1.18 0.00 0.00 52.55 55.08 3fgz s ASP 64 Cb -0.12 -1.88 0.89 0.00 -0.34 0.00 0.00 42.92 41.48 3fgz s ASP 64 CO -0.17 -2.63 1.86 1.23 0.68 0.00 0.00 175.17 176.14 3fgz h GLY 65 N -1.55 0.00 0.90 2.12 0.00 -0.95 -0.05 103.07 103.54 3fgz h GLY 65 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 3fgz h GLY 65 CO 0.58 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 175.10 3fgz h LEU 66 N 0.00 0.58 -0.88 3.11 6.46 -1.82 -0.39 115.31 122.36 3fgz h LEU 66 Ca -0.00 -0.33 -0.05 0.00 -0.12 0.00 0.00 57.88 57.38 3fgz h LEU 66 Cb 0.64 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 3fgz h LEU 66 CO 0.04 0.77 0.23 -0.33 -0.62 0.00 0.00 178.44 178.53 3fgz h GLU 67 N 0.37 1.05 -0.31 1.25 4.39 -1.87 -0.83 114.58 118.63 3fgz h GLU 67 Ca 0.09 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3fgz h GLU 67 Cb 0.49 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3fgz h GLU 67 CO 0.02 0.89 0.13 1.25 -1.16 0.00 0.00 179.01 180.14 3fgz h LEU 68 N 1.02 0.42 -0.04 1.33 5.85 -0.90 -0.18 115.31 122.80 3fgz h LEU 68 Ca 0.23 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fgz h LEU 68 Cb 0.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3fgz h LEU 68 CO -0.01 0.45 -0.02 0.25 -0.34 0.00 0.00 178.44 178.77 3fgz h LEU 69 N 0.35 -0.07 -0.94 2.25 5.85 -0.90 -1.49 115.31 120.36 3fgz h LEU 69 Ca 0.10 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3fgz h LEU 69 Cb 0.16 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3fgz h LEU 69 CO -0.01 -0.03 0.61 0.11 -0.34 0.00 0.00 178.44 178.78 3fgz h LYS 70 N -0.02 1.15 -0.17 1.25 1.57 -1.06 -0.57 116.57 118.71 3fgz h LYS 70 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3fgz h LYS 70 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3fgz h LYS 70 CO -0.05 0.76 0.07 1.15 -0.57 0.00 0.00 179.45 180.80 3fgz h THR 71 N 1.19 1.17 -0.28 -0.16 2.02 -0.75 -1.91 112.91 114.19 3fgz h THR 71 Ca 0.38 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 67.08 3fgz h THR 71 Cb 0.01 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3fgz h THR 71 CO -0.12 0.16 0.11 0.40 0.37 0.00 0.00 175.52 176.44 3fgz h ILE 72 N 0.12 0.96 0.00 3.11 2.04 -1.06 -2.04 117.51 120.64 3fgz h ILE 72 Ca 0.06 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3fgz h ILE 72 Cb 0.19 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3fgz h ILE 72 CO -0.00 0.05 -0.29 0.03 0.00 0.00 0.00 178.15 177.93 3fgz h ARG 73 N 0.25 0.00 0.00 2.37 2.47 -0.98 -2.51 114.38 115.98 3fgz h ARG 73 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3fgz h ARG 73 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3fgz h ARG 73 CO -0.10 0.29 -0.42 0.00 0.56 0.00 0.00 179.97 180.29 3fgz h ALA 74 N 1.71 0.78 -2.40 0.04 0.00 -1.05 -3.42 119.26 114.91 3fgz h ALA 74 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3fgz h ALA 74 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 3fgz h ALA 74 CO 0.04 0.00 0.30 0.34 0.00 0.00 0.00 179.25 179.93 3fgz s ASP 75 N -5.52 6.71 0.57 0.00 2.15 -0.79 -4.95 116.67 114.84 3fgz s ASP 75 Ca 0.05 0.88 0.26 0.00 0.43 0.00 0.00 52.55 54.17 3fgz s ASP 75 Cb 0.08 -2.38 1.61 0.00 -0.30 0.00 0.00 42.92 41.93 3fgz s ASP 75 CO 0.71 -0.43 2.14 1.23 -0.17 0.00 0.00 175.17 178.66 3fgz h GLY 76 N 8.95 0.00 1.90 2.66 0.00 -1.88 0.13 103.07 114.82 3fgz h GLY 76 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3fgz h GLY 76 CO 0.82 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 177.30 3fgz n ALA 77 N -2.40 2.42 -0.62 3.60 0.00 -1.26 -4.22 120.51 118.02 3fgz n ALA 77 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3fgz n ALA 77 Cb 0.24 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3fgz n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3fgz n MET 78 N -1.81 -0.11 -0.02 0.00 2.81 -0.49 -4.97 117.12 112.54 3fgz n MET 78 Ca 0.06 -0.15 0.10 0.00 -1.81 0.00 0.00 57.70 55.91 3fgz n MET 78 Cb 0.38 -0.62 0.51 0.00 -0.71 0.00 0.00 33.22 32.78 3fgz n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3fgz h SER 79 N 0.00 0.33 -0.38 7.83 4.64 -0.77 -1.21 113.55 123.98 3fgz h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fgz h SER 79 Cb 0.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3fgz h SER 79 CO 0.00 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 3fgz n ALA 80 N -2.52 2.44 -1.67 5.18 0.00 -1.26 -4.52 120.51 118.16 3fgz n ALA 80 Ca 0.07 -0.91 -0.48 0.00 0.00 0.00 0.00 53.44 52.12 3fgz n ALA 80 Cb 0.29 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 3fgz n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fgz n LEU 81 N 1.24 2.98 -4.74 0.00 7.94 -0.46 -4.90 117.00 119.06 3fgz n LEU 81 Ca 0.19 1.05 -0.42 0.00 -1.11 0.00 0.00 56.01 55.72 3fgz n LEU 81 Cb 0.54 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.11 3fgz n LEU 81 CO 0.15 -0.32 1.24 -2.84 -1.11 0.00 0.00 177.39 174.51 3fgz s PRO 82 N 2.07 4.16 -0.22 1.96 0.02 -1.26 -4.91 135.00 136.82 3fgz s PRO 82 Ca 0.85 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 64.36 3fgz s PRO 82 Cb -0.75 -3.06 0.06 0.00 0.02 0.00 0.00 34.50 30.78 3fgz s PRO 82 CO 0.45 -0.61 0.01 0.08 -0.33 0.00 0.00 177.00 176.61 3fgz s VAL 83 N 0.33 0.89 -0.32 3.83 1.01 -1.26 -0.54 120.40 124.35 3fgz s VAL 83 Ca 0.65 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3fgz s VAL 83 Cb -0.46 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3fgz s VAL 83 CO 0.42 -0.23 0.41 -0.22 0.00 0.00 0.00 175.10 175.49 3fgz s LEU 84 N 1.68 4.26 0.02 3.92 2.96 0.19 -0.52 118.68 131.18 3fgz s LEU 84 Ca -0.01 0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 3fgz s LEU 84 Cb -0.18 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 3fgz s LEU 84 CO -0.09 -0.32 0.97 -0.04 -1.32 0.00 0.00 176.35 175.55 3fgz s MET 85 N 2.15 4.58 -0.27 1.98 -1.94 -0.78 -0.86 119.30 124.16 3fgz s MET 85 Ca 0.15 1.42 -0.01 0.00 -1.71 0.00 0.00 55.69 55.54 3fgz s MET 85 Cb -0.16 -3.45 0.08 0.00 2.01 0.00 0.00 34.83 33.32 3fgz s MET 85 CO 0.11 -0.01 0.07 0.08 -0.01 0.00 0.00 175.02 175.26 3fgz s VAL 86 N 0.86 0.83 -0.01 -6.03 1.01 0.40 -0.15 120.40 117.30 3fgz s VAL 86 Ca 0.51 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 3fgz s VAL 86 Cb -0.21 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3fgz s VAL 86 CO 0.28 -0.49 0.38 0.28 0.00 0.00 0.00 175.10 175.55 3fgz s THR 87 N 1.67 0.05 -0.27 3.92 -1.32 -0.55 -3.62 115.64 115.52 3fgz s THR 87 Ca 0.05 -0.41 0.28 0.00 -1.21 0.00 0.00 61.69 60.40 3fgz s THR 87 Cb -0.17 -0.72 0.31 0.00 -1.51 0.00 0.00 72.50 70.40 3fgz s THR 87 CO -0.19 -0.23 1.82 0.00 -2.21 0.00 0.00 174.62 173.82 3fgz h ALA 88 N 3.62 1.00 -2.20 11.08 0.00 -1.86 0.40 119.26 131.29 3fgz h ALA 88 Ca -0.29 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 3fgz h ALA 88 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fgz h ALA 88 CO 0.40 0.00 1.22 1.03 0.00 0.00 0.00 179.25 181.90 3fgz s ARG 89 N -3.44 3.91 0.00 0.00 0.52 -1.26 -4.76 118.95 113.93 3fgz s ARG 89 Ca 0.03 2.21 0.01 0.00 -0.52 0.00 0.00 55.73 57.46 3fgz s ARG 89 Cb 0.09 -4.12 -0.01 0.00 0.52 0.00 0.00 34.95 31.43 3fgz s ARG 89 CO 0.47 -1.19 0.14 0.00 0.02 0.00 0.00 175.30 174.73 3fgz n ALA 90 N 8.30 2.20 -1.57 2.13 0.00 -1.26 -4.82 120.51 125.49 3fgz n ALA 90 Ca 0.21 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 3fgz n ALA 90 Cb 0.43 -0.04 0.03 0.00 0.00 0.00 0.00 19.45 19.88 3fgz n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fgz s LYS 91 N -0.91 2.99 0.25 0.00 1.02 -1.26 -4.89 119.74 116.94 3fgz s LYS 91 Ca 0.01 1.32 -0.06 0.00 0.02 0.00 0.00 55.97 57.26 3fgz s LYS 91 Cb 0.01 -1.98 0.27 0.00 -0.52 0.00 0.00 37.83 35.61 3fgz s LYS 91 CO 0.04 -1.09 1.89 0.87 -0.92 0.00 0.00 175.35 176.13 3fgz h LYS 92 N 0.17 1.23 -0.35 1.68 1.79 -1.99 -2.13 116.57 116.97 3fgz h LYS 92 Ca -0.47 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 57.88 3fgz h LYS 92 Cb 1.24 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 3fgz h LYS 92 CO 0.55 0.87 0.20 1.05 -1.08 0.00 0.00 179.45 181.04 3fgz h GLU 93 N 1.25 0.47 -0.08 3.15 4.11 -1.99 0.84 114.58 122.33 3fgz h GLU 93 Ca 0.32 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.69 3fgz h GLU 93 Cb -0.03 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3fgz h GLU 93 CO -0.06 0.34 -0.06 -0.91 0.07 0.00 0.00 179.01 178.40 3fgz h ASN 94 N 0.48 0.19 -0.47 3.06 2.35 -1.77 -1.06 115.58 118.36 3fgz h ASN 94 Ca 0.12 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3fgz h ASN 94 Cb 0.00 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3fgz h ASN 94 CO -0.02 0.60 0.30 0.40 -1.65 0.00 0.00 177.43 177.05 3fgz h ILE 95 N -0.22 1.13 -0.06 2.81 2.04 -0.93 -1.87 117.51 120.40 3fgz h ILE 95 Ca 0.02 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3fgz h ILE 95 Cb 0.54 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3fgz h ILE 95 CO 0.02 0.13 -0.13 0.40 0.00 0.00 0.00 178.15 178.56 3fgz h ILE 96 N 0.63 0.66 -0.67 -0.67 2.04 -0.84 0.39 117.51 119.04 3fgz h ILE 96 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 3fgz h ILE 96 Cb -0.05 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 3fgz h ILE 96 CO -0.04 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.48 3fgz h ALA 97 N 0.81 0.91 -0.19 1.87 0.00 -0.93 0.73 119.26 122.45 3fgz h ALA 97 Ca 0.07 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3fgz h ALA 97 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fgz h ALA 97 CO -0.17 0.02 -0.35 0.00 0.00 0.00 0.00 179.25 178.75 3fgz h ALA 98 N 1.37 0.30 0.24 0.00 0.00 -1.17 -1.28 119.26 118.72 3fgz h ALA 98 Ca 0.31 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fgz h ALA 98 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fgz h ALA 98 CO -0.21 0.36 -0.12 0.00 0.00 0.00 0.00 179.25 179.29 3fgz h ALA 99 N 0.60 -0.32 -0.29 0.00 0.00 -0.69 -0.92 119.26 117.63 3fgz h ALA 99 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fgz h ALA 99 Cb 0.94 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fgz h ALA 99 CO 0.08 -0.68 0.17 1.96 0.00 0.00 0.00 179.25 180.78 3fgz h GLN 100 N -0.32 0.38 0.00 0.00 1.08 -0.89 -1.10 115.11 114.25 3fgz h GLN 100 Ca -0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3fgz h GLN 100 Cb 0.25 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3fgz h GLN 100 CO 0.05 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.20 3fgz n ALA 101 N -2.49 2.17 0.00 3.87 0.00 -0.48 -4.88 120.51 118.69 3fgz n ALA 101 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3fgz n ALA 101 Cb 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3fgz n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fgz n GLY 102 N 0.53 1.24 3.65 0.00 0.00 -0.42 -4.59 105.19 105.60 3fgz n GLY 102 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 3fgz n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgz n ALA 103 N -1.38 0.75 0.16 4.61 0.00 -0.40 -4.84 120.51 119.42 3fgz n ALA 103 Ca 0.00 0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.91 3fgz n ALA 103 Cb 0.00 -2.24 0.19 0.00 0.00 0.00 0.00 19.45 17.40 3fgz n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3fgz h SER 104 N 4.42 0.00 -5.28 0.00 0.02 -1.16 -3.45 113.55 108.10 3fgz h SER 104 Ca -0.45 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.70 3fgz h SER 104 Cb 1.29 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.72 3fgz h SER 104 CO 0.77 0.45 0.56 -0.83 -1.14 0.00 0.00 176.83 176.64 3fgz s GLY 105 N -4.41 -0.30 -0.17 -3.77 0.00 -1.22 -4.83 107.32 92.62 3fgz s GLY 105 Ca 0.02 0.41 -0.06 0.00 0.00 0.00 0.00 44.72 45.09 3fgz s GLY 105 CO 0.71 0.09 0.35 -0.47 0.00 0.00 0.00 173.10 173.78 3fgz s TYR 106 N -3.07 -0.63 -0.09 1.90 5.04 -1.26 -1.87 117.35 117.37 3fgz s TYR 106 Ca 0.11 1.26 0.03 0.00 -2.44 0.00 0.00 57.07 56.04 3fgz s TYR 106 Cb -0.00 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.44 3fgz s TYR 106 CO -0.01 -0.43 -0.18 0.08 -1.34 0.00 0.00 175.55 173.67 3fgz s VAL 107 N 2.53 2.63 -0.14 3.14 1.01 0.79 -4.98 120.40 125.37 3fgz s VAL 107 Ca -0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 3fgz s VAL 107 Cb -0.12 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3fgz s VAL 107 CO -0.11 0.55 0.39 -0.69 0.00 0.00 0.00 175.10 175.24 3fgz s VAL 108 N 0.01 5.25 0.29 2.92 1.01 -1.26 -1.48 120.40 127.13 3fgz s VAL 108 Ca -0.06 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 3fgz s VAL 108 Cb -0.15 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3fgz s VAL 108 CO 0.05 0.36 1.05 -0.54 0.00 0.00 0.00 175.10 176.02 3fgz s LYS 109 N 0.56 4.62 0.43 2.72 1.02 0.13 -3.63 119.74 125.59 3fgz s LYS 109 Ca 0.21 1.68 -0.22 0.00 0.02 0.00 0.00 55.97 57.67 3fgz s LYS 109 Cb -0.14 -3.11 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 3fgz s LYS 109 CO 0.07 0.24 0.98 -1.25 -0.92 0.00 0.00 175.35 174.47 3fgz s PRO 110 N -1.54 4.16 0.13 -1.68 0.04 -1.26 -4.61 135.00 130.23 3fgz s PRO 110 Ca 0.46 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.80 3fgz s PRO 110 Cb -0.29 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 3fgz s PRO 110 CO 0.37 -0.10 -0.14 -0.59 0.04 0.00 0.00 177.00 176.57 3fgz s PHE 111 N -2.01 1.43 0.46 0.56 -0.12 -1.24 -5.15 117.98 111.90 3fgz s PHE 111 Ca 0.61 -0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 56.89 3fgz s PHE 111 Cb -0.13 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 3fgz s PHE 111 CO 0.17 0.16 0.75 0.95 -0.05 0.00 0.00 175.22 177.20 3fgz s THR 112 N -2.16 4.93 0.24 -4.49 -4.23 -1.26 -4.99 115.64 103.67 3fgz s THR 112 Ca 0.10 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.68 3fgz s THR 112 Cb -0.05 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 70.15 3fgz s THR 112 CO 0.03 -0.79 1.71 0.00 -0.54 0.00 0.00 174.62 175.03 3fgz h ALA 113 N 0.37 0.95 -0.45 3.99 0.00 -2.01 -2.46 119.26 119.66 3fgz h ALA 113 Ca -0.47 0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.59 3fgz h ALA 113 Cb 1.21 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3fgz h ALA 113 CO 0.62 -0.28 0.27 0.00 0.00 0.00 0.00 179.25 179.86 3fgz h ALA 114 N 1.56 0.57 -0.02 0.00 0.00 -2.00 -2.10 119.26 117.26 3fgz h ALA 114 Ca 0.39 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3fgz h ALA 114 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fgz h ALA 114 CO -0.44 -0.05 -0.02 1.15 0.00 0.00 0.00 179.25 179.89 3fgz h THR 115 N 0.54 0.94 -0.22 0.00 2.02 -1.89 -0.35 112.91 113.94 3fgz h THR 115 Ca 0.18 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.40 3fgz h THR 115 Cb 0.00 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3fgz h THR 115 CO -0.08 0.00 -0.06 0.25 0.37 0.00 0.00 175.52 176.01 3fgz h LEU 116 N -0.03 -0.21 -0.84 2.58 5.85 -1.23 -0.20 115.31 121.24 3fgz h LEU 116 Ca 0.02 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fgz h LEU 116 Cb 0.05 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3fgz h LEU 116 CO -0.04 -0.07 0.55 -0.08 -0.34 0.00 0.00 178.44 178.46 3fgz h GLU 117 N -0.00 1.10 -0.41 1.25 4.81 -1.17 0.56 114.58 120.71 3fgz h GLU 117 Ca 0.11 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3fgz h GLU 117 Cb 0.16 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3fgz h GLU 117 CO -0.23 0.73 0.14 1.49 -0.73 0.00 0.00 179.01 180.41 3fgz h GLU 118 N 1.13 0.62 0.02 1.92 4.81 -0.61 -0.94 114.58 121.54 3fgz h GLU 118 Ca 0.31 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 3fgz h GLU 118 Cb -0.13 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 3fgz h GLU 118 CO -0.07 0.61 -0.94 0.87 -0.73 0.00 0.00 179.01 178.76 3fgz h LYS 119 N 0.51 0.22 -0.21 1.92 1.79 -0.67 -1.19 116.57 118.94 3fgz h LYS 119 Ca 0.13 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3fgz h LYS 119 Cb 0.24 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3fgz h LYS 119 CO -0.01 1.01 0.09 -0.07 -1.08 0.00 0.00 179.45 179.40 3fgz h LEU 120 N 0.11 0.29 -1.25 2.94 3.38 -0.87 -2.69 115.31 117.22 3fgz h LEU 120 Ca -0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3fgz h LEU 120 Cb 1.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3fgz h LEU 120 CO 0.15 0.36 0.19 0.78 0.09 0.00 0.00 178.44 180.00 3fgz h ASN 121 N 0.20 0.64 -0.95 -0.43 2.35 -1.07 -1.69 115.58 114.63 3fgz h ASN 121 Ca 0.07 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3fgz h ASN 121 Cb 0.15 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3fgz h ASN 121 CO -0.01 0.59 0.62 0.50 -1.65 0.00 0.00 177.43 177.48 3fgz h LYS 122 N 0.70 1.13 -0.15 0.81 3.64 -1.12 -0.65 116.57 120.93 3fgz h LYS 122 Ca 0.17 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 3fgz h LYS 122 Cb 0.15 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3fgz h LYS 122 CO -0.02 0.75 -0.33 0.82 -2.27 0.00 0.00 179.45 178.40 3fgz h ILE 123 N 1.17 1.36 -0.43 2.00 2.04 -1.09 -2.20 117.51 120.35 3fgz h ILE 123 Ca 0.39 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.72 3fgz h ILE 123 Cb 0.07 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 3fgz h ILE 123 CO -0.13 0.48 0.07 -0.26 0.00 0.00 0.00 178.15 178.31 3fgz h PHE 124 N 0.12 0.11 -0.34 1.37 0.04 -0.99 -0.52 116.94 116.73 3fgz h PHE 124 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3fgz h PHE 124 Cb 0.94 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 3fgz h PHE 124 CO 0.10 -0.01 0.22 1.49 -0.60 0.00 0.00 178.31 179.51 3fgz h GLU 125 N 0.20 0.45 -0.98 1.51 4.22 -1.14 0.39 114.58 119.23 3fgz h GLU 125 Ca 0.21 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.63 3fgz h GLU 125 Cb 0.27 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3fgz h GLU 125 CO -0.29 0.31 0.65 -0.22 -2.18 0.00 0.00 179.01 177.28 3fgz h LYS 126 N 0.45 1.28 -0.02 1.92 1.63 -0.86 -2.53 116.57 118.44 3fgz h LYS 126 Ca 0.12 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3fgz h LYS 126 Cb -0.03 -0.29 0.00 0.00 -0.60 0.00 0.00 32.23 31.31 3fgz h LYS 126 CO -0.03 0.84 -0.08 1.28 -3.45 0.00 0.00 179.45 178.02 3fgz n LEU 127 N -4.39 1.86 -1.86 5.20 4.77 -0.25 -4.94 117.00 117.39 3fgz n LEU 127 Ca 0.12 -0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 3fgz n LEU 127 Cb 0.02 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3fgz n LEU 127 CO 0.37 0.32 -0.03 0.61 -1.33 0.00 0.00 177.39 177.32 3fgz n GLY 128 N 1.27 -0.09 0.59 -0.72 0.00 -0.20 -5.06 105.19 100.99 3fgz n GLY 128 Ca 0.16 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3fgz n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35