#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgz s ASP 3 N 0.00 6.41 0.00 0.00 2.15 -1.26 -4.88 116.67 119.09 3fgz s ASP 3 Ca 0.00 2.79 0.25 0.00 0.43 0.00 0.00 52.55 56.02 3fgz s ASP 3 Cb 0.00 -2.58 1.13 0.00 -0.30 0.00 0.00 42.92 41.17 3fgz s ASP 3 CO 0.00 -0.99 1.81 0.29 -0.17 0.00 0.00 175.17 176.12 3fgz n LYS 4 N 4.96 0.13 0.00 4.34 4.76 -1.26 -1.91 118.16 129.18 3fgz n LYS 4 Ca 0.17 0.07 0.13 0.00 -2.87 0.00 0.00 58.31 55.81 3fgz n LYS 4 Cb 0.37 -1.50 0.41 0.00 -1.84 0.00 0.00 35.03 32.47 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 -1.42 0.69 -1.63 1.97 -0.58 -1.26 -4.13 120.64 114.27 3fgz n GLU 5 Ca 0.08 -0.37 -0.58 0.00 -0.42 0.00 0.00 57.16 55.86 3fgz n GLU 5 Cb 0.26 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.83 1.36 -4.59 -4.62 7.94 -0.80 -4.82 117.00 110.63 3fgz n LEU 6 Ca 0.12 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.74 3fgz n LEU 6 Cb 0.33 -1.05 -0.07 0.00 0.53 0.00 0.00 43.42 43.16 3fgz n LEU 6 CO 0.27 -1.05 0.34 -0.75 -1.11 0.00 0.00 177.39 175.08 3fgz s LYS 7 N 1.69 3.85 -0.11 1.96 2.20 -1.26 -4.50 119.74 123.57 3fgz s LYS 7 Ca 0.94 0.19 -0.10 0.00 -0.36 0.00 0.00 55.97 56.64 3fgz s LYS 7 Cb -1.17 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 31.36 3fgz s LYS 7 CO 0.61 -0.57 0.23 -0.06 -0.36 0.00 0.00 175.35 175.20 3fgz s PHE 8 N 2.54 3.59 -0.19 4.03 0.40 -0.13 -0.77 117.98 127.45 3fgz s PHE 8 Ca 0.23 0.64 -0.05 0.00 -0.60 0.00 0.00 56.93 57.15 3fgz s PHE 8 Cb -0.15 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 3fgz s PHE 8 CO 0.12 0.58 -0.01 -1.17 0.70 0.00 0.00 175.22 175.44 3fgz s LEU 9 N -0.63 3.24 -0.26 -0.37 2.96 -0.07 -0.86 118.68 122.68 3fgz s LEU 9 Ca 0.17 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3fgz s LEU 9 Cb -0.13 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3fgz s LEU 9 CO 0.06 0.08 0.04 -0.69 -1.32 0.00 0.00 176.35 174.51 3fgz s VAL 10 N 0.91 3.85 -0.20 1.68 1.01 0.25 -1.04 120.40 126.86 3fgz s VAL 10 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3fgz s VAL 10 Cb -0.14 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.40 3fgz s VAL 10 CO 0.02 0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.51 3fgz s VAL 11 N 1.52 2.16 -0.23 2.92 1.01 0.35 -0.57 120.40 127.55 3fgz s VAL 11 Ca 0.04 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 3fgz s VAL 11 Cb -0.16 -1.97 0.11 0.00 0.00 0.00 0.00 36.38 34.36 3fgz s VAL 11 CO 0.01 0.44 0.94 -0.62 0.00 0.00 0.00 175.10 175.87 3fgz s ASP 12 N 1.27 -0.51 0.00 3.32 -1.08 -0.79 -0.41 116.67 118.47 3fgz s ASP 12 Ca 0.03 0.86 0.28 0.00 -0.52 0.00 0.00 52.55 53.20 3fgz s ASP 12 Cb -0.14 0.83 1.28 0.00 -1.46 0.00 0.00 42.92 43.43 3fgz s ASP 12 CO -0.11 -0.25 1.93 -0.90 0.52 0.00 0.00 175.17 176.36 3fgz n ASP 13 N 1.87 0.00 -4.46 -0.34 5.75 -1.21 -4.22 116.55 113.94 3fgz n ASP 13 Ca -0.13 0.30 -0.37 0.00 -0.01 0.00 0.00 54.79 54.58 3fgz n ASP 13 Cb 0.56 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.86 3.56 0.37 0.11 2.02 -1.26 -4.99 118.70 115.65 3fgz s GLU 14 Ca 0.18 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.69 3fgz s GLU 14 Cb 0.19 -3.44 0.80 0.00 0.10 0.00 0.00 34.13 31.78 3fgz s GLU 14 CO 0.49 -0.27 1.94 1.03 0.02 0.00 0.00 175.26 178.47 3fgz h SER 15 N 8.29 0.61 -0.18 -0.19 0.87 -2.00 -2.07 113.55 118.88 3fgz h SER 15 Ca -0.36 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.24 3fgz h SER 15 Cb 1.16 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 3fgz h SER 15 CO 0.59 0.38 0.01 0.74 -0.53 0.00 0.00 176.83 178.02 3fgz h THR 16 N 0.69 0.89 -0.56 2.23 2.02 -1.97 0.08 112.91 116.29 3fgz h THR 16 Ca 0.33 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 3fgz h THR 16 Cb 0.39 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3fgz h THR 16 CO -0.12 0.01 0.16 -0.03 0.37 0.00 0.00 175.52 175.92 3fgz h MET 17 N 0.08 0.87 -0.59 6.66 -1.53 -1.85 -1.07 114.93 117.50 3fgz h MET 17 Ca 0.08 -0.20 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 3fgz h MET 17 Cb 0.09 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.99 3fgz h MET 17 CO -0.13 0.80 0.39 0.00 0.14 0.00 0.00 176.91 178.11 3fgz h ARG 18 N 0.78 0.78 -0.47 0.39 3.08 -1.17 -2.52 114.38 115.25 3fgz h ARG 18 Ca 0.18 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 3fgz h ARG 18 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3fgz h ARG 18 CO -0.00 0.52 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.10 3fgz h ARG 19 N 0.80 0.98 0.17 0.04 2.43 -0.56 -0.33 114.38 117.91 3fgz h ARG 19 Ca 0.22 -0.42 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3fgz h ARG 19 Cb -0.08 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3fgz h ARG 19 CO -0.05 1.10 -0.25 0.82 -1.51 0.00 0.00 179.97 180.08 3fgz h ILE 20 N 0.84 0.45 -0.55 1.20 2.04 -1.04 -1.39 117.51 119.06 3fgz h ILE 20 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3fgz h ILE 20 Cb 0.80 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3fgz h ILE 20 CO 0.07 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.96 3fgz h VAL 21 N -0.49 1.24 -0.75 1.67 2.07 -1.35 -0.94 116.25 117.70 3fgz h VAL 21 Ca 0.02 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3fgz h VAL 21 Cb 0.49 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3fgz h VAL 21 CO -0.11 0.30 0.25 -0.09 0.02 0.00 0.00 177.57 177.94 3fgz h ARG 22 N 0.77 1.15 -0.46 1.57 2.43 -1.02 -0.45 114.38 118.37 3fgz h ARG 22 Ca 0.18 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3fgz h ARG 22 Cb 0.29 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3fgz h ARG 22 CO -0.00 0.97 -0.08 -0.91 -1.51 0.00 0.00 179.97 178.44 3fgz h ASN 23 N 1.11 0.87 -0.50 -3.80 4.21 -1.06 -2.07 115.58 114.33 3fgz h ASN 23 Ca 0.24 -0.35 0.05 0.00 1.21 0.00 0.00 56.30 57.46 3fgz h ASN 23 Cb 0.29 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.21 3fgz h ASN 23 CO -0.01 1.01 0.23 -0.07 -1.29 0.00 0.00 177.43 177.31 3fgz h LEU 24 N 0.72 0.31 -0.72 1.61 3.38 -0.95 -1.96 115.31 117.70 3fgz h LEU 24 Ca 0.12 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3fgz h LEU 24 Cb 0.61 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3fgz h LEU 24 CO 0.04 0.21 0.47 -0.07 0.09 0.00 0.00 178.44 179.19 3fgz h LEU 25 N 0.45 0.81 -0.56 1.67 3.38 -0.99 -1.78 115.31 118.29 3fgz h LEU 25 Ca 0.23 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3fgz h LEU 25 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3fgz h LEU 25 CO -0.18 0.59 0.37 0.50 0.09 0.00 0.00 178.44 179.80 3fgz h LYS 26 N 0.96 0.73 -0.60 1.13 3.64 -1.12 0.22 116.57 121.53 3fgz h LYS 26 Ca 0.27 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3fgz h LYS 26 Cb -0.09 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 3fgz h LYS 26 CO -0.06 0.48 0.40 1.49 -2.27 0.00 0.00 179.45 179.49 3fgz h GLU 27 N 0.75 0.79 0.00 1.90 4.57 -1.03 -1.96 114.58 119.60 3fgz h GLU 27 Ca 0.21 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3fgz h GLU 27 Cb -0.07 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 3fgz h GLU 27 CO -0.05 0.53 0.00 1.28 -1.18 0.00 0.00 179.01 179.58 3fgz n LEU 28 N -4.44 0.00 0.00 1.64 4.77 -0.52 -4.87 117.00 113.57 3fgz n LEU 28 Ca 0.06 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3fgz n LEU 28 Cb 0.04 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3fgz n LEU 28 CO 0.36 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3fgz n GLY 29 N 1.14 0.83 3.41 -0.72 0.00 -0.74 -5.08 105.19 104.03 3fgz n GLY 29 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 3.25 -0.56 1.61 0.08 0.67 -4.82 117.98 116.21 3fgz s PHE 30 Ca 0.00 -0.81 0.16 0.00 0.12 0.00 0.00 56.93 56.39 3fgz s PHE 30 Cb 0.00 -2.93 -0.19 0.00 -0.57 0.00 0.00 43.02 39.33 3fgz s PHE 30 CO 0.00 -0.72 0.59 0.09 -0.10 0.00 0.00 175.22 175.08 3fgz n ASN 31 N 5.17 0.88 -4.48 1.36 3.02 -1.26 -2.93 115.26 117.03 3fgz n ASN 31 Ca -0.12 -0.65 -0.44 0.00 -0.03 0.00 0.00 54.58 53.34 3fgz n ASN 31 Cb 0.45 1.19 -0.01 0.00 -0.61 0.00 0.00 39.78 40.80 3fgz n ASN 31 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3fgz s ASN 32 N -2.83 6.97 -0.06 6.41 0.01 -1.26 -4.93 114.94 119.24 3fgz s ASN 32 Ca 0.03 -2.76 -0.00 0.00 -0.71 0.00 0.00 52.86 49.42 3fgz s ASN 32 Cb 0.11 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.38 3fgz s ASN 32 CO 0.65 -0.86 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.67 3fgz s VAL 33 N 2.09 0.48 0.36 1.60 1.01 -1.26 -0.96 120.40 123.72 3fgz s VAL 33 Ca 0.42 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.47 3fgz s VAL 33 Cb -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 3fgz s VAL 33 CO -0.01 0.24 -0.06 -1.61 0.00 0.00 0.00 175.10 173.66 3fgz s GLU 34 N 1.39 1.85 0.15 2.72 0.41 -0.04 -4.98 118.70 120.19 3fgz s GLU 34 Ca -0.04 -1.98 0.09 0.00 -0.41 0.00 0.00 54.97 52.63 3fgz s GLU 34 Cb -0.13 -1.67 -0.04 0.00 -1.78 0.00 0.00 34.13 30.51 3fgz s GLU 34 CO -0.03 0.08 -0.20 -1.21 -0.49 0.00 0.00 175.26 173.42 3fgz s GLU 35 N -3.64 1.26 -0.03 1.61 2.02 -1.26 -0.58 118.70 118.07 3fgz s GLU 35 Ca 0.33 -1.36 -0.07 0.00 0.02 0.00 0.00 54.97 53.90 3fgz s GLU 35 Cb 0.05 -1.40 0.01 0.00 0.10 0.00 0.00 34.13 32.89 3fgz s GLU 35 CO 0.17 0.30 0.16 0.00 0.02 0.00 0.00 175.26 175.91 3fgz s ALA 36 N -1.78 -0.39 -1.43 5.21 0.00 0.27 -4.88 121.76 118.75 3fgz s ALA 36 Ca 0.14 0.21 0.22 0.00 0.00 0.00 0.00 51.96 52.53 3fgz s ALA 36 Cb -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3fgz s ALA 36 CO 0.06 -0.14 1.04 -0.85 0.00 0.00 0.00 175.76 175.87 3fgz n GLU 37 N 2.28 0.50 -3.85 0.00 0.28 -1.26 -1.89 120.64 116.69 3fgz n GLU 37 Ca -0.17 -0.40 -0.05 0.00 -0.16 0.00 0.00 57.16 56.37 3fgz n GLU 37 Cb 0.57 -1.49 0.02 0.00 1.43 0.00 0.00 31.44 31.97 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 -2.78 -0.01 0.34 -1.84 1.47 -1.26 -3.34 116.67 109.26 3fgz s ASP 38 Ca 0.13 -0.81 0.06 0.00 1.18 0.00 0.00 52.55 53.11 3fgz s ASP 38 Cb 0.17 0.62 0.63 0.00 -0.34 0.00 0.00 42.92 44.00 3fgz s ASP 38 CO 0.73 -1.22 1.86 1.23 0.68 0.00 0.00 175.17 178.45 3fgz h GLY 39 N 2.00 0.42 0.55 2.12 0.00 -1.51 0.93 103.07 107.58 3fgz h GLY 39 Ca -0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3fgz h GLY 39 CO 0.37 0.25 -0.05 -2.08 0.00 0.00 0.00 176.54 175.03 3fgz h VAL 40 N 0.37 1.10 -0.64 4.60 2.07 -1.88 -1.33 116.25 120.55 3fgz h VAL 40 Ca 0.07 -0.95 0.13 0.00 0.82 0.00 0.00 66.70 66.77 3fgz h VAL 40 Cb 0.42 1.69 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 3fgz h VAL 40 CO 0.02 0.22 -0.04 -0.78 0.02 0.00 0.00 177.57 177.02 3fgz h ASP 41 N -0.60 -0.36 0.05 0.57 3.58 -1.94 -0.33 116.42 117.40 3fgz h ASP 41 Ca -0.01 0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.62 3fgz h ASP 41 Cb 0.48 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 3fgz h ASP 41 CO 0.02 -0.15 -0.12 0.00 -2.88 0.00 0.00 179.24 176.12 3fgz h ALA 42 N 1.60 -0.18 -0.71 -0.78 0.00 -0.76 -1.54 119.26 116.89 3fgz h ALA 42 Ca 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3fgz h ALA 42 Cb 0.54 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3fgz h ALA 42 CO -0.58 -0.63 0.46 -0.07 0.00 0.00 0.00 179.25 178.44 3fgz h LEU 43 N -0.23 0.82 -0.20 0.00 3.38 -0.81 0.17 115.31 118.44 3fgz h LEU 43 Ca 0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3fgz h LEU 43 Cb 0.25 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3fgz h LEU 43 CO -0.08 0.60 0.03 0.78 0.09 0.00 0.00 178.44 179.86 3fgz h ASN 44 N 0.96 -0.01 -0.41 -0.43 -0.26 -0.74 0.63 115.58 115.33 3fgz h ASN 44 Ca 0.26 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 56.02 3fgz h ASN 44 Cb -0.10 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3fgz h ASN 44 CO -0.06 0.02 0.19 0.11 -1.06 0.00 0.00 177.43 176.64 3fgz h LYS 45 N 0.11 0.59 -0.69 0.81 1.57 -0.71 -3.05 116.57 115.21 3fgz h LYS 45 Ca 0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3fgz h LYS 45 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3fgz h LYS 45 CO -0.13 0.53 0.38 -0.07 -0.57 0.00 0.00 179.45 179.59 3fgz h LEU 46 N 0.52 0.84 -2.12 2.94 3.38 -0.39 -2.18 115.31 118.29 3fgz h LEU 46 Ca 0.14 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3fgz h LEU 46 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3fgz h LEU 46 CO -0.02 0.67 0.03 1.56 0.09 0.00 0.00 178.44 180.78 3fgz h GLN 47 N 0.95 0.00 0.00 1.13 1.08 -0.77 -1.54 115.11 115.96 3fgz h GLN 47 Ca 0.24 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 3fgz h GLN 47 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3fgz h GLN 47 CO -0.04 0.00 -0.08 0.00 -0.95 0.00 0.00 178.83 177.76 3fgz h ALA 48 N 1.97 1.06 0.00 3.87 0.00 -1.32 -3.49 119.26 121.36 3fgz h ALA 48 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fgz h ALA 48 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fgz h ALA 48 CO -0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3fgz n GLY 49 N -0.23 0.35 1.39 0.00 0.00 -0.58 -5.02 105.19 101.11 3fgz n GLY 49 Ca -0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.60 2.62 3.77 -0.02 0.00 -1.26 -4.96 105.19 105.94 3fgz n GLY 50 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.29 3.32 0.00 1.61 2.02 -1.26 -4.49 117.35 116.27 3fgz s TYR 51 Ca 0.00 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 3fgz s TYR 51 Cb 0.00 -3.35 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 3fgz s TYR 51 CO 0.00 -0.96 0.26 0.41 -1.57 0.00 0.00 175.55 173.69 3fgz n GLY 52 N 0.87 -0.31 3.64 0.71 0.00 0.06 -4.95 105.19 105.20 3fgz n GLY 52 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.39 -0.89 -0.10 1.61 2.19 -1.09 -4.30 117.98 115.01 3fgz s PHE 53 Ca 0.00 1.93 0.04 0.00 0.33 0.00 0.00 56.93 59.23 3fgz s PHE 53 Cb 0.00 0.45 -0.00 0.00 -1.31 0.00 0.00 43.02 42.16 3fgz s PHE 53 CO 0.00 -0.44 -0.23 0.08 1.83 0.00 0.00 175.22 176.47 3fgz s VAL 54 N 1.02 2.18 -0.19 3.12 1.01 0.15 -0.89 120.40 126.81 3fgz s VAL 54 Ca -0.05 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3fgz s VAL 54 Cb -0.05 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3fgz s VAL 54 CO -0.10 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.75 3fgz s ILE 55 N 0.30 2.16 -0.02 2.22 1.01 -0.20 -0.51 121.20 126.15 3fgz s ILE 55 Ca -0.17 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.48 3fgz s ILE 55 Cb -0.17 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.34 3fgz s ILE 55 CO 0.08 0.45 -0.04 -0.55 0.00 0.00 0.00 174.94 174.87 3fgz s SER 56 N 1.27 0.74 1.00 3.58 0.15 0.14 -0.50 113.70 120.08 3fgz s SER 56 Ca 0.03 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 3fgz s SER 56 Cb -0.14 -0.25 0.19 0.00 -1.71 0.00 0.00 66.02 64.11 3fgz s SER 56 CO -0.11 -0.00 1.09 -0.62 1.20 0.00 0.00 173.24 174.80 3fgz s ASP 57 N 0.45 2.36 -0.10 5.45 2.15 0.45 -0.21 116.67 127.22 3fgz s ASP 57 Ca -0.05 1.81 -0.10 0.00 0.43 0.00 0.00 52.55 54.64 3fgz s ASP 57 Cb -0.09 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 3fgz s ASP 57 CO -0.00 -3.39 -0.19 1.87 -0.17 0.00 0.00 175.17 173.29 3fgz n TRP 58 N -4.40 0.06 -2.52 -5.34 -0.00 -1.26 -3.71 117.44 100.26 3fgz n TRP 58 Ca 0.08 0.03 -0.42 0.00 -0.00 0.00 0.00 57.50 57.18 3fgz n TRP 58 Cb 0.53 -0.32 -0.02 0.00 -0.00 0.00 0.00 31.31 31.50 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 -2.07 3.47 -0.10 5.87 1.00 -1.26 -0.01 119.30 126.20 3fgz s MET 59 Ca -0.16 0.35 -0.14 0.00 0.00 0.00 0.00 55.69 55.74 3fgz s MET 59 Cb 0.02 -4.04 0.03 0.00 0.00 0.00 0.00 34.83 30.85 3fgz s MET 59 CO 0.24 -1.73 0.36 -1.64 0.00 0.00 0.00 175.02 172.25 3fgz s MET 60 N 5.07 0.53 0.87 2.03 -1.94 -1.26 -4.72 119.30 119.88 3fgz s MET 60 Ca 0.46 0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 54.62 3fgz s MET 60 Cb -0.09 0.25 0.11 0.00 2.01 0.00 0.00 34.83 37.12 3fgz s MET 60 CO 0.26 -0.10 1.11 -1.25 -0.01 0.00 0.00 175.02 175.02 3fgz s PRO 61 N -0.32 1.49 0.00 2.03 0.04 -1.26 -3.44 135.00 133.53 3fgz s PRO 61 Ca -0.05 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3fgz s PRO 61 Cb -0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3fgz s PRO 61 CO 0.02 -2.02 0.00 0.09 0.04 0.00 0.00 177.00 175.13 3fgz n ASN 62 N -3.69 0.00 -3.65 6.66 3.02 -1.26 -4.49 115.26 111.85 3fgz n ASN 62 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.49 3fgz n ASN 62 Cb 0.57 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.19 1.04 3.52 1.75 -1.26 -4.82 119.30 119.71 3fgz s MET 63 Ca 0.00 0.77 -0.12 0.00 -1.25 0.00 0.00 55.69 55.09 3fgz s MET 63 Cb 0.00 -0.03 0.21 0.00 2.84 0.00 0.00 34.83 37.85 3fgz s MET 63 CO 0.00 -0.31 1.07 0.16 -0.65 0.00 0.00 175.02 175.30 3fgz s ASP 64 N 2.45 2.16 0.39 1.11 1.47 -1.22 -1.56 116.67 121.47 3fgz s ASP 64 Ca 0.01 1.32 0.21 0.00 1.18 0.00 0.00 52.55 55.27 3fgz s ASP 64 Cb -0.12 -2.01 0.51 0.00 -0.34 0.00 0.00 42.92 40.95 3fgz s ASP 64 CO -0.10 -3.44 1.65 1.23 0.68 0.00 0.00 175.17 175.20 3fgz h GLY 65 N -2.10 0.00 0.83 2.12 0.00 -0.51 -0.89 103.07 102.52 3fgz h GLY 65 Ca -0.56 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 3fgz h GLY 65 CO 0.55 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.97 3fgz h LEU 66 N 0.00 0.49 -0.81 3.11 6.46 -1.82 -0.32 115.31 122.42 3fgz h LEU 66 Ca -0.00 -0.42 0.01 0.00 -0.12 0.00 0.00 57.88 57.35 3fgz h LEU 66 Cb 1.02 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 3fgz h LEU 66 CO 0.03 0.80 0.53 -0.33 -0.62 0.00 0.00 178.44 178.85 3fgz h GLU 67 N 0.18 1.07 -0.11 1.25 4.39 -1.91 -0.62 114.58 118.84 3fgz h GLU 67 Ca 0.05 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.71 3fgz h GLU 67 Cb 0.62 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3fgz h GLU 67 CO 0.03 0.72 -0.07 1.25 -1.16 0.00 0.00 179.01 179.78 3fgz h LEU 68 N 1.10 -0.23 -0.02 1.33 5.85 -1.07 0.38 115.31 122.65 3fgz h LEU 68 Ca 0.30 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.07 3fgz h LEU 68 Cb -0.11 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3fgz h LEU 68 CO -0.06 -0.10 -0.01 0.25 -0.34 0.00 0.00 178.44 178.18 3fgz h LEU 69 N -0.07 -0.05 -1.41 2.25 5.85 -0.77 -1.33 115.31 119.77 3fgz h LEU 69 Ca 0.07 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3fgz h LEU 69 Cb 0.17 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3fgz h LEU 69 CO -0.15 -0.02 0.41 0.11 -0.34 0.00 0.00 178.44 178.44 3fgz h LYS 70 N -0.02 0.77 -0.17 1.25 1.57 -0.98 -0.38 116.57 118.62 3fgz h LYS 70 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3fgz h LYS 70 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fgz h LYS 70 CO -0.03 0.51 0.00 1.15 -0.57 0.00 0.00 179.45 180.51 3fgz h THR 71 N 0.80 1.25 -0.42 -0.16 2.02 -0.51 -2.10 112.91 113.78 3fgz h THR 71 Ca 0.23 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3fgz h THR 71 Cb -0.04 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3fgz h THR 71 CO -0.06 0.25 0.23 0.40 0.37 0.00 0.00 175.52 176.72 3fgz h ILE 72 N 0.05 1.01 0.00 3.11 2.04 -0.94 -2.30 117.51 120.49 3fgz h ILE 72 Ca 0.05 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 3fgz h ILE 72 Cb 0.37 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3fgz h ILE 72 CO 0.01 0.09 -0.29 0.03 0.00 0.00 0.00 178.15 177.98 3fgz h ARG 73 N 0.47 0.00 0.00 2.37 2.47 -0.98 -2.53 114.38 116.17 3fgz h ARG 73 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 3fgz h ARG 73 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3fgz h ARG 73 CO -0.10 0.29 -0.59 0.00 0.56 0.00 0.00 179.97 180.14 3fgz h ALA 74 N 1.71 0.61 -2.49 0.04 0.00 -1.13 -3.43 119.26 114.57 3fgz h ALA 74 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3fgz h ALA 74 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 3fgz h ALA 74 CO 0.04 0.00 0.01 0.34 0.00 0.00 0.00 179.25 179.64 3fgz s ASP 75 N -4.32 6.40 0.47 0.00 3.68 -0.89 -4.95 116.67 117.07 3fgz s ASP 75 Ca 0.06 0.31 0.28 0.00 2.13 0.00 0.00 52.55 55.33 3fgz s ASP 75 Cb 0.13 -2.29 1.35 0.00 -1.45 0.00 0.00 42.92 40.66 3fgz s ASP 75 CO 0.71 -0.40 1.77 1.23 0.13 0.00 0.00 175.17 178.61 3fgz h GLY 76 N 8.99 0.65 2.00 2.66 0.00 -1.88 0.35 103.07 115.84 3fgz h GLY 76 Ca -0.28 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3fgz h GLY 76 CO 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 177.20 3fgz h ALA 77 N 1.51 1.00 0.00 3.60 0.00 -1.92 -3.36 119.26 120.09 3fgz h ALA 77 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3fgz h ALA 77 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3fgz h ALA 77 CO -0.17 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.75 3fgz n MET 78 N -2.75 2.28 0.12 0.00 2.81 -0.10 -4.92 117.12 114.56 3fgz n MET 78 Ca 0.04 -0.08 0.19 0.00 -1.81 0.00 0.00 57.70 56.03 3fgz n MET 78 Cb 0.44 -0.42 0.77 0.00 -0.71 0.00 0.00 33.22 33.29 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 0.00 -0.03 7.83 4.64 -0.26 -0.51 113.55 125.22 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 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3fgz h SER 79 CO 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.89 3fgz n ALA 80 N -2.40 2.63 -1.68 5.18 0.00 -1.26 -4.55 120.51 118.44 3fgz n ALA 80 Ca 0.05 -0.67 -0.47 0.00 0.00 0.00 0.00 53.44 52.35 3fgz n ALA 80 Cb 0.49 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 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 1.10 3.33 -4.75 0.00 7.94 -0.20 -4.92 117.00 119.50 3fgz n LEU 81 Ca 0.13 1.02 -0.41 0.00 -1.11 0.00 0.00 56.01 55.64 3fgz n LEU 81 Cb 0.57 -1.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.10 3fgz n LEU 81 CO 0.17 -0.14 1.21 -2.84 -1.11 0.00 0.00 177.39 174.68 3fgz s PRO 82 N 2.60 4.13 -0.23 1.96 0.02 -1.26 -4.89 135.00 137.33 3fgz s PRO 82 Ca 0.86 2.55 -0.02 0.00 0.02 0.00 0.00 61.00 64.41 3fgz s PRO 82 Cb -0.67 -3.02 0.07 0.00 0.02 0.00 0.00 34.50 30.90 3fgz s PRO 82 CO 0.45 -0.59 0.04 0.08 -0.33 0.00 0.00 177.00 176.64 3fgz s VAL 83 N -0.18 0.75 -0.30 3.83 1.01 -1.26 -0.67 120.40 123.58 3fgz s VAL 83 Ca 0.61 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3fgz s VAL 83 Cb -0.47 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3fgz s VAL 83 CO 0.50 -0.34 0.57 -0.22 0.00 0.00 0.00 175.10 175.61 3fgz s LEU 84 N 1.73 4.14 -0.04 3.92 2.96 0.33 -0.15 118.68 131.57 3fgz s LEU 84 Ca 0.01 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 3fgz s LEU 84 Cb -0.17 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 3fgz s LEU 84 CO -0.13 -0.41 0.97 -0.04 -1.32 0.00 0.00 176.35 175.42 3fgz s MET 85 N 2.47 4.50 -0.26 1.98 -1.94 -0.68 -0.69 119.30 124.68 3fgz s MET 85 Ca 0.23 1.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.59 3fgz s MET 85 Cb -0.15 -3.49 0.08 0.00 2.01 0.00 0.00 34.83 33.27 3fgz s MET 85 CO 0.11 -0.14 0.02 0.08 -0.01 0.00 0.00 175.02 175.07 3fgz s VAL 86 N 1.37 1.29 0.01 -6.03 1.01 0.71 0.09 120.40 118.85 3fgz s VAL 86 Ca 0.50 -1.32 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 3fgz s VAL 86 Cb -0.20 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.46 3fgz s VAL 86 CO 0.24 -0.35 0.43 0.28 0.00 0.00 0.00 175.10 175.70 3fgz s THR 87 N 1.46 0.05 -0.65 3.92 -1.32 -0.12 -3.55 115.64 115.43 3fgz s THR 87 Ca 0.02 -0.38 0.26 0.00 -1.21 0.00 0.00 61.69 60.37 3fgz s THR 87 Cb -0.18 -0.87 0.28 0.00 -1.51 0.00 0.00 72.50 70.22 3fgz s THR 87 CO -0.12 -0.21 1.76 0.00 -2.21 0.00 0.00 174.62 173.84 3fgz h ALA 88 N 3.23 1.00 -2.41 11.08 0.00 -1.85 -0.16 119.26 130.15 3fgz h ALA 88 Ca -0.30 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 3fgz h ALA 88 Cb 1.19 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.00 3fgz h ALA 88 CO 0.42 0.00 1.20 1.03 0.00 0.00 0.00 179.25 181.89 3fgz s ARG 89 N -3.16 4.14 0.00 0.00 0.52 -1.26 -4.81 118.95 114.38 3fgz s ARG 89 Ca 0.09 2.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 3fgz s ARG 89 Cb 0.11 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.60 3fgz s ARG 89 CO 0.56 -0.92 0.41 0.00 0.02 0.00 0.00 175.30 175.37 3fgz n ALA 90 N 6.95 1.05 -1.77 2.13 0.00 -1.26 -4.86 120.51 122.76 3fgz n ALA 90 Ca 0.19 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 3fgz n ALA 90 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.16 3.81 0.26 0.00 1.02 -1.26 -4.89 119.74 118.53 3fgz s LYS 91 Ca 0.00 1.92 -0.02 0.00 0.02 0.00 0.00 55.97 57.90 3fgz s LYS 91 Cb 0.00 -2.54 0.53 0.00 -0.52 0.00 0.00 37.83 35.31 3fgz s LYS 91 CO 0.00 -0.55 1.73 -0.22 -0.92 0.00 0.00 175.35 175.39 3fgz h LYS 92 N 2.28 0.46 -0.43 1.68 3.64 -2.00 -1.41 116.57 120.80 3fgz h LYS 92 Ca -0.49 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 3fgz h LYS 92 Cb 1.25 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3fgz h LYS 92 CO 0.61 0.31 0.08 1.05 -2.27 0.00 0.00 179.45 179.23 3fgz h GLU 93 N 0.48 0.64 -0.14 1.90 4.11 -1.99 -1.81 114.58 117.77 3fgz h GLU 93 Ca 0.46 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.73 3fgz h GLU 93 Cb 0.72 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3fgz h GLU 93 CO -0.42 0.60 -0.04 -0.91 0.07 0.00 0.00 179.01 178.31 3fgz h ASN 94 N 0.62 0.27 -0.18 3.06 2.35 -1.65 -1.00 115.58 119.05 3fgz h ASN 94 Ca 0.14 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3fgz h ASN 94 Cb 0.27 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3fgz h ASN 94 CO 0.00 0.58 0.10 0.40 -1.65 0.00 0.00 177.43 176.86 3fgz h ILE 95 N -0.05 1.03 -0.45 2.81 2.04 -1.20 -1.30 117.51 120.38 3fgz h ILE 95 Ca 0.03 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3fgz h ILE 95 Cb 0.46 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3fgz h ILE 95 CO 0.01 0.04 0.25 0.40 0.00 0.00 0.00 178.15 178.85 3fgz h ILE 96 N 0.22 1.16 -0.66 -0.67 2.04 -1.34 -2.38 117.51 115.87 3fgz h ILE 96 Ca 0.07 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3fgz h ILE 96 Cb -0.01 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3fgz h ILE 96 CO -0.03 0.17 0.37 0.00 0.00 0.00 0.00 178.15 178.66 3fgz h ALA 97 N 1.10 0.89 -0.15 1.87 0.00 -0.78 0.01 119.26 122.19 3fgz h ALA 97 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fgz h ALA 97 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fgz h ALA 97 CO -0.03 0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.31 3fgz h ALA 98 N 1.35 0.20 -0.28 0.00 0.00 -1.19 -0.34 119.26 119.00 3fgz h ALA 98 Ca 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3fgz h ALA 98 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fgz h ALA 98 CO -0.18 -0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.04 3fgz h ALA 99 N 0.85 0.34 0.00 0.00 0.00 -1.14 -1.53 119.26 117.78 3fgz h ALA 99 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fgz h ALA 99 Cb 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fgz h ALA 99 CO -0.00 -0.24 -0.15 1.96 0.00 0.00 0.00 179.25 180.82 3fgz h GLN 100 N 0.30 0.00 -0.00 0.00 4.20 -0.82 -1.11 115.11 117.68 3fgz h GLN 100 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3fgz h GLN 100 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3fgz h GLN 100 CO -0.07 0.15 -0.07 0.00 -0.67 0.00 0.00 178.83 178.17 3fgz n ALA 101 N -2.32 2.56 0.00 3.87 0.00 -0.15 -4.93 120.51 119.54 3fgz n ALA 101 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3fgz n ALA 101 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.41 1.35 3.71 0.00 0.00 -0.42 -4.52 105.19 106.71 3fgz n GLY 102 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 1.43 0.16 4.61 0.00 -0.61 -4.84 120.51 120.42 3fgz n ALA 103 Ca 0.00 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.79 3fgz n ALA 103 Cb 0.00 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 17.24 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 2.30 0.00 -5.54 0.00 0.02 -0.90 -3.45 113.55 105.98 3fgz h SER 104 Ca -0.48 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 60.72 3fgz h SER 104 Cb 1.29 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.74 3fgz h SER 104 CO 0.61 0.33 0.66 -0.83 -1.14 0.00 0.00 176.83 176.45 3fgz s GLY 105 N -4.38 -0.25 -0.06 -3.77 0.00 -1.23 -4.84 107.32 92.79 3fgz s GLY 105 Ca 0.05 0.27 -0.03 0.00 0.00 0.00 0.00 44.72 45.01 3fgz s GLY 105 CO 0.72 0.71 0.13 -0.47 0.00 0.00 0.00 173.10 174.19 3fgz s TYR 106 N -2.73 -0.14 -0.10 1.90 5.04 -1.26 -1.68 117.35 118.38 3fgz s TYR 106 Ca 0.15 0.45 0.03 0.00 -2.44 0.00 0.00 57.07 55.26 3fgz s TYR 106 Cb 0.01 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.20 3fgz s TYR 106 CO 0.00 -0.17 -0.19 0.08 -1.34 0.00 0.00 175.55 173.94 3fgz s VAL 107 N 1.29 1.71 -0.06 3.14 1.01 0.11 -4.97 120.40 122.62 3fgz s VAL 107 Ca -0.08 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 3fgz s VAL 107 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3fgz s VAL 107 CO -0.06 0.48 0.62 -0.69 0.00 0.00 0.00 175.10 175.45 3fgz s VAL 108 N 0.65 5.05 0.28 2.92 1.01 -1.26 -0.94 120.40 128.11 3fgz s VAL 108 Ca -0.13 1.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 3fgz s VAL 108 Cb -0.16 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3fgz s VAL 108 CO 0.04 0.31 0.95 -0.54 0.00 0.00 0.00 175.10 175.86 3fgz s LYS 109 N 0.52 4.71 0.41 2.72 1.02 -0.07 -3.68 119.74 125.37 3fgz s LYS 109 Ca 0.33 1.44 -0.23 0.00 0.02 0.00 0.00 55.97 57.53 3fgz s LYS 109 Cb -0.17 -3.06 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 3fgz s LYS 109 CO 0.16 0.38 1.01 -1.25 -0.92 0.00 0.00 175.35 174.73 3fgz s PRO 110 N -1.59 4.17 0.15 -1.68 0.04 -1.26 -4.65 135.00 130.18 3fgz s PRO 110 Ca 0.45 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.93 3fgz s PRO 110 Cb -0.23 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 3fgz s PRO 110 CO 0.29 -0.11 -0.12 -0.59 0.04 0.00 0.00 177.00 176.51 3fgz s PHE 111 N -1.81 1.38 0.41 0.56 -0.12 -1.24 -5.15 117.98 112.00 3fgz s PHE 111 Ca 0.59 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.82 3fgz s PHE 111 Cb -0.18 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.50 3fgz s PHE 111 CO 0.23 0.15 0.62 0.95 -0.05 0.00 0.00 175.22 177.12 3fgz s THR 112 N -2.84 4.47 0.19 -4.49 -4.23 -1.26 -4.99 115.64 102.49 3fgz s THR 112 Ca 0.15 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 3fgz s THR 112 Cb -0.01 -3.64 0.11 0.00 1.34 0.00 0.00 72.50 70.30 3fgz s THR 112 CO 0.02 -0.44 1.72 0.00 -0.54 0.00 0.00 174.62 175.39 3fgz h ALA 113 N 0.55 0.59 -0.38 3.99 0.00 -2.01 -2.14 119.26 119.86 3fgz h ALA 113 Ca -0.48 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3fgz h ALA 113 Cb 1.24 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3fgz h ALA 113 CO 0.59 -0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.63 3fgz h ALA 114 N 1.39 0.41 -0.25 0.00 0.00 -1.99 -2.03 119.26 116.80 3fgz h ALA 114 Ca 0.26 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3fgz h ALA 114 Cb 0.34 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3fgz h ALA 114 CO -0.32 -0.32 0.00 1.15 0.00 0.00 0.00 179.25 179.76 3fgz h THR 115 N 0.21 0.82 -0.74 0.00 2.02 -1.85 0.05 112.91 113.42 3fgz h THR 115 Ca 0.18 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3fgz h THR 115 Cb 0.21 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3fgz h THR 115 CO -0.24 0.01 0.47 0.25 0.37 0.00 0.00 175.52 176.39 3fgz h LEU 116 N 0.08 0.86 -0.67 2.58 5.85 -1.18 0.86 115.31 123.69 3fgz h LEU 116 Ca 0.12 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3fgz h LEU 116 Cb 0.15 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3fgz h LEU 116 CO -0.20 0.63 0.29 -0.08 -0.34 0.00 0.00 178.44 178.75 3fgz h GLU 117 N 1.00 0.98 -0.56 1.25 4.81 -1.03 -0.34 114.58 120.69 3fgz h GLU 117 Ca 0.27 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3fgz h GLU 117 Cb -0.09 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 3fgz h GLU 117 CO -0.06 0.79 0.16 0.93 -0.73 0.00 0.00 179.01 180.11 3fgz h GLU 118 N 0.93 0.88 -0.40 1.92 5.08 -0.47 -1.87 114.58 120.65 3fgz h GLU 118 Ca 0.23 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3fgz h GLU 118 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3fgz h GLU 118 CO -0.02 0.81 0.06 0.87 -1.00 0.00 0.00 179.01 179.73 3fgz h LYS 119 N 0.79 0.67 -0.06 2.33 1.79 -0.52 0.05 116.57 121.61 3fgz h LYS 119 Ca 0.18 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3fgz h LYS 119 Cb 0.31 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3fgz h LYS 119 CO -0.00 0.72 0.03 -0.07 -1.08 0.00 0.00 179.45 179.05 3fgz h LEU 120 N 0.52 0.09 -1.29 2.94 3.38 -1.07 -2.81 115.31 117.06 3fgz h LEU 120 Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fgz h LEU 120 Cb 0.38 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3fgz h LEU 120 CO 0.01 0.20 0.44 0.78 0.09 0.00 0.00 178.44 179.96 3fgz h ASN 121 N -0.03 0.80 -0.77 -0.43 2.35 -1.18 -0.14 115.58 116.18 3fgz h ASN 121 Ca 0.02 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3fgz h ASN 121 Cb 0.14 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 3fgz h ASN 121 CO -0.00 0.59 0.49 0.50 -1.65 0.00 0.00 177.43 177.37 3fgz h LYS 122 N 0.94 0.94 -0.12 0.81 3.64 -0.89 -1.51 116.57 120.39 3fgz h LYS 122 Ca 0.25 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3fgz h LYS 122 Cb -0.08 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 3fgz h LYS 122 CO -0.05 0.63 -0.23 0.82 -2.27 0.00 0.00 179.45 178.34 3fgz h ILE 123 N 0.97 1.38 -0.56 2.00 2.04 -1.11 -1.19 117.51 121.04 3fgz h ILE 123 Ca 0.30 -1.50 0.09 0.00 1.00 0.00 0.00 64.86 64.75 3fgz h ILE 123 Cb -0.02 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3fgz h ILE 123 CO -0.10 0.44 0.16 -0.26 0.00 0.00 0.00 178.15 178.39 3fgz h PHE 124 N -0.06 0.27 -0.13 1.37 0.04 -0.94 -1.09 116.94 116.40 3fgz h PHE 124 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3fgz h PHE 124 Cb 0.82 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3fgz h PHE 124 CO 0.10 0.04 0.03 0.93 -0.60 0.00 0.00 178.31 178.81 3fgz h GLU 125 N 0.32 0.21 -0.74 1.51 4.39 -1.20 0.11 114.58 119.17 3fgz h GLU 125 Ca 0.28 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.04 3fgz h GLU 125 Cb 0.37 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 3fgz h GLU 125 CO -0.32 0.38 0.49 -0.22 -1.16 0.00 0.00 179.01 178.17 3fgz h LYS 126 N 0.01 0.55 -0.40 2.33 1.63 -0.88 -2.79 116.57 117.02 3fgz h LYS 126 Ca 0.04 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3fgz h LYS 126 Cb 0.26 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3fgz h LYS 126 CO 0.00 0.37 0.00 1.28 -3.45 0.00 0.00 179.45 177.65 3fgz n LEU 127 N -4.50 3.37 -2.07 5.20 4.77 -0.44 -4.96 117.00 118.36 3fgz n LEU 127 Ca 0.13 -1.58 -0.16 0.00 -0.03 0.00 0.00 56.01 54.36 3fgz n LEU 127 Cb 0.40 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3fgz n LEU 127 CO 0.33 0.75 -0.10 0.61 -1.33 0.00 0.00 177.39 177.64 3fgz n GLY 128 N 1.35 -0.26 0.61 -0.72 0.00 -0.71 -5.04 105.19 100.42 3fgz n GLY 128 Ca 0.18 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3fgz n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35