#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffg s ASP 3 N 0.00 6.81 0.00 0.00 3.68 -1.26 -4.90 116.67 121.00 1ffg s ASP 3 Ca 0.00 1.04 0.06 0.00 2.13 0.00 0.00 52.55 55.78 1ffg s ASP 3 Cb 0.00 -2.54 0.26 0.00 -1.45 0.00 0.00 42.92 39.18 1ffg s ASP 3 CO 0.00 -0.99 1.13 0.29 0.13 0.00 0.00 175.17 175.73 1ffg n LYS 4 N 7.14 0.03 0.00 4.34 4.76 -1.26 -0.77 118.16 132.39 1ffg n LYS 4 Ca 0.13 0.35 0.12 0.00 -2.87 0.00 0.00 58.31 56.04 1ffg n LYS 4 Cb 0.47 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.36 1ffg n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ffg n GLU 5 N -1.43 1.24 -1.64 1.97 1.02 -1.26 -4.01 120.64 116.52 1ffg n GLU 5 Ca 0.02 -0.91 -0.49 0.00 -0.02 0.00 0.00 57.16 55.75 1ffg n GLU 5 Cb 0.06 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 1ffg n GLU 5 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ffg n LEU 6 N -0.08 2.51 -4.61 -4.62 7.94 0.05 -4.78 117.00 113.40 1ffg n LEU 6 Ca 0.12 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.68 1ffg n LEU 6 Cb 0.43 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 43.03 1ffg n LEU 6 CO 0.25 -0.57 0.69 -0.75 -1.11 0.00 0.00 177.39 175.90 1ffg s LYS 7 N 1.27 3.89 0.06 1.96 2.20 -1.26 -4.59 119.74 123.27 1ffg s LYS 7 Ca 0.84 0.59 -0.03 0.00 -0.36 0.00 0.00 55.97 57.00 1ffg s LYS 7 Cb -0.82 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 31.69 1ffg s LYS 7 CO 0.45 -0.83 0.27 -0.06 -0.36 0.00 0.00 175.35 174.82 1ffg s PHE 8 N 3.24 3.53 -0.19 4.03 0.40 -0.50 -0.47 117.98 128.02 1ffg s PHE 8 Ca 0.36 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 1ffg s PHE 8 Cb -0.13 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1ffg s PHE 8 CO 0.16 0.56 -0.17 -1.17 0.70 0.00 0.00 175.22 175.30 1ffg s LEU 9 N -2.28 2.31 -0.32 -0.37 2.96 -0.26 -1.39 118.68 119.33 1ffg s LEU 9 Ca 0.34 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 1ffg s LEU 9 Cb -0.13 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1ffg s LEU 9 CO 0.23 -0.01 0.18 -0.69 -1.32 0.00 0.00 176.35 174.74 1ffg s VAL 10 N 1.32 4.78 -0.18 1.68 1.01 0.38 -1.69 120.40 127.70 1ffg s VAL 10 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1ffg s VAL 10 Cb -0.13 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1ffg s VAL 10 CO -0.11 0.02 -0.05 -0.69 0.00 0.00 0.00 175.10 174.26 1ffg s VAL 11 N 1.64 3.53 -0.29 2.92 1.01 0.03 -2.04 120.40 127.21 1ffg s VAL 11 Ca 0.05 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1ffg s VAL 11 Cb -0.17 -2.56 0.14 0.00 0.00 0.00 0.00 36.38 33.79 1ffg s VAL 11 CO 0.07 0.46 1.12 -0.62 0.00 0.00 0.00 175.10 176.14 1ffg s ASP 12 N 0.86 -0.36 0.00 3.32 -1.08 -1.09 -0.77 116.67 117.55 1ffg s ASP 12 Ca -0.01 0.67 0.26 0.00 -0.52 0.00 0.00 52.55 52.94 1ffg s ASP 12 Cb -0.15 0.77 1.27 0.00 -1.46 0.00 0.00 42.92 43.35 1ffg s ASP 12 CO 0.01 -0.11 1.87 -0.90 0.52 0.00 0.00 175.17 176.56 1ffg n ASP 13 N 2.35 0.00 -4.39 -0.34 5.75 -1.17 -4.43 116.55 114.32 1ffg n ASP 13 Ca -0.13 0.05 -0.42 0.00 -0.01 0.00 0.00 54.79 54.28 1ffg n ASP 13 Cb 0.56 -0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 40.22 1ffg n ASP 13 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ffg s PHE 14 N -2.67 3.26 0.34 2.11 5.36 -1.26 -4.98 117.98 120.13 1ffg s PHE 14 Ca 0.22 -0.93 0.08 0.00 -0.96 0.00 0.00 56.93 55.34 1ffg s PHE 14 Cb 0.17 -2.66 0.80 0.00 -0.34 0.00 0.00 43.02 40.99 1ffg s PHE 14 CO 0.42 -0.68 1.85 0.66 -1.46 0.00 0.00 175.22 176.00 1ffg h SER 15 N 8.54 0.69 -0.68 6.13 4.64 -2.00 -1.70 113.55 129.17 1ffg h SER 15 Ca -0.26 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1ffg h SER 15 Cb 1.11 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1ffg h SER 15 CO 0.73 0.32 0.28 0.74 -0.87 0.00 0.00 176.83 178.04 1ffg h THR 16 N 0.71 1.24 -0.52 2.95 2.02 -1.97 -2.00 112.91 115.35 1ffg h THR 16 Ca 0.48 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1ffg h THR 16 Cb 0.78 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1ffg h THR 16 CO -0.24 0.30 -0.01 -0.03 0.37 0.00 0.00 175.52 175.91 1ffg h MET 17 N 0.96 0.88 -0.66 6.66 -1.53 -1.73 -0.90 114.93 118.61 1ffg h MET 17 Ca 0.23 -0.25 0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1ffg h MET 17 Cb 0.19 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.11 1ffg h MET 17 CO -0.02 0.88 0.42 0.00 0.14 0.00 0.00 176.91 178.33 1ffg h ARG 18 N 0.81 0.82 -0.54 0.39 3.08 -1.27 -0.33 114.38 117.35 1ffg h ARG 18 Ca 0.15 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1ffg h ARG 18 Cb 0.49 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1ffg h ARG 18 CO 0.02 0.54 0.22 -0.09 -1.07 0.00 0.00 179.97 179.60 1ffg h ARG 19 N 0.85 0.80 -0.02 0.04 2.43 -0.81 0.28 114.38 117.95 1ffg h ARG 19 Ca 0.25 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1ffg h ARG 19 Cb -0.04 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1ffg h ARG 19 CO -0.08 0.69 -0.17 0.82 -1.51 0.00 0.00 179.97 179.72 1ffg h ILE 20 N 0.72 0.58 -0.71 1.20 2.04 -0.55 -0.58 117.51 120.22 1ffg h ILE 20 Ca 0.18 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 1ffg h ILE 20 Cb 0.19 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1ffg h ILE 20 CO -0.02 0.00 0.22 0.58 0.00 0.00 0.00 178.15 178.93 1ffg h VAL 21 N -0.27 1.25 -0.36 1.67 2.07 -0.92 -0.23 116.25 119.46 1ffg h VAL 21 Ca 0.06 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1ffg h VAL 21 Cb 0.35 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1ffg h VAL 21 CO -0.18 0.35 0.14 -0.09 0.02 0.00 0.00 177.57 177.81 1ffg h ARG 22 N 1.05 0.30 -0.43 1.57 2.43 -0.36 -0.73 114.38 118.21 1ffg h ARG 22 Ca 0.23 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1ffg h ARG 22 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ffg h ARG 22 CO -0.01 0.20 -0.13 -0.91 -1.51 0.00 0.00 179.97 177.61 1ffg h ASN 23 N 0.31 0.78 -0.70 -3.80 -0.26 -0.69 -1.20 115.58 110.01 1ffg h ASN 23 Ca 0.16 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 1ffg h ASN 23 Cb 0.11 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 1ffg h ASN 23 CO -0.14 0.92 0.34 -0.07 -1.06 0.00 0.00 177.43 177.42 1ffg h LEU 24 N 0.70 0.91 -0.68 1.61 3.38 -0.61 -1.25 115.31 119.37 1ffg h LEU 24 Ca 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ffg h LEU 24 Cb 0.62 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1ffg h LEU 24 CO 0.04 0.79 0.25 -0.07 0.09 0.00 0.00 178.44 179.54 1ffg h LEU 25 N 0.98 0.96 -0.36 1.67 3.38 -0.76 -2.25 115.31 118.92 1ffg h LEU 25 Ca 0.24 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ffg h LEU 25 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1ffg h LEU 25 CO -0.03 0.88 0.17 0.50 0.09 0.00 0.00 178.44 180.05 1ffg h LYS 26 N 0.98 0.34 -0.22 1.13 3.64 -0.84 0.85 116.57 122.44 1ffg h LYS 26 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ffg h LYS 26 Cb 0.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ffg h LYS 26 CO -0.01 0.22 0.09 1.49 -2.27 0.00 0.00 179.45 178.97 1ffg h GLU 27 N 0.35 0.30 -0.00 1.90 4.81 -1.04 0.44 114.58 121.34 1ffg h GLU 27 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ffg h GLU 27 Cb 0.08 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ffg h GLU 27 CO -0.12 0.25 -0.01 1.28 -0.73 0.00 0.00 179.01 179.68 1ffg n LEU 28 N -4.45 0.21 0.00 1.64 4.77 -0.21 -4.90 117.00 114.06 1ffg n LEU 28 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1ffg n LEU 28 Cb 0.12 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ffg n LEU 28 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1ffg n GLY 29 N 1.11 0.84 3.33 -0.72 0.00 0.15 -5.07 105.19 104.84 1ffg n GLY 29 Ca 0.21 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1ffg n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffg s PHE 30 N -2.00 3.22 -0.80 1.61 0.08 0.12 -4.79 117.98 115.43 1ffg s PHE 30 Ca 0.00 -1.12 0.17 0.00 0.12 0.00 0.00 56.93 56.10 1ffg s PHE 30 Cb 0.00 -2.32 -0.19 0.00 -0.57 0.00 0.00 43.02 39.94 1ffg s PHE 30 CO 0.00 -0.65 0.73 0.09 -0.10 0.00 0.00 175.22 175.29 1ffg n ASN 31 N 4.89 0.82 -4.47 1.36 4.13 -1.26 -2.90 115.26 117.84 1ffg n ASN 31 Ca -0.13 -0.89 -0.44 0.00 1.68 0.00 0.00 54.58 54.81 1ffg n ASN 31 Cb 0.46 1.02 -0.01 0.00 -1.54 0.00 0.00 39.78 39.72 1ffg n ASN 31 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1ffg s ASN 32 N -2.67 6.98 -0.00 6.41 2.47 -1.26 -4.97 114.94 121.90 1ffg s ASN 32 Ca 0.06 -2.79 0.05 0.00 0.42 0.00 0.00 52.86 50.60 1ffg s ASN 32 Cb 0.13 -2.41 -0.01 0.00 -1.45 0.00 0.00 41.25 37.51 1ffg s ASN 32 CO 0.71 -0.82 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.41 1ffg s VAL 33 N 1.89 1.32 0.24 -5.21 1.01 -1.26 -1.41 120.40 116.97 1ffg s VAL 33 Ca 0.41 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1ffg s VAL 33 Cb -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1ffg s VAL 33 CO -0.01 0.31 -0.05 -1.61 0.00 0.00 0.00 175.10 173.73 1ffg s GLU 34 N -0.55 1.40 0.10 2.72 0.41 -0.49 -4.97 118.70 117.32 1ffg s GLU 34 Ca 0.06 -1.69 0.07 0.00 -0.41 0.00 0.00 54.97 53.00 1ffg s GLU 34 Cb -0.07 -0.90 -0.03 0.00 -1.78 0.00 0.00 34.13 31.35 1ffg s GLU 34 CO -0.00 0.01 -0.19 -1.21 -0.49 0.00 0.00 175.26 173.38 1ffg s GLU 35 N -3.77 1.05 0.03 1.61 2.02 -1.26 -0.47 118.70 117.90 1ffg s GLU 35 Ca 0.27 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1ffg s GLU 35 Cb 0.04 -1.23 -0.02 0.00 0.10 0.00 0.00 34.13 33.02 1ffg s GLU 35 CO 0.09 0.28 -0.04 0.00 0.02 0.00 0.00 175.26 175.61 1ffg s ALA 36 N -1.25 0.21 -1.13 5.21 0.00 -0.86 -4.91 121.76 119.03 1ffg s ALA 36 Ca 0.05 -0.66 0.22 0.00 0.00 0.00 0.00 51.96 51.57 1ffg s ALA 36 Cb -0.10 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1ffg s ALA 36 CO 0.04 -0.15 1.03 -0.85 0.00 0.00 0.00 175.76 175.82 1ffg n GLU 37 N 1.48 0.15 -3.81 0.00 0.28 -1.26 -2.66 120.64 114.81 1ffg n GLU 37 Ca -0.23 -0.12 -0.04 0.00 -0.16 0.00 0.00 57.16 56.61 1ffg n GLU 37 Cb 0.55 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.95 1ffg n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ffg n ASP 38 N -1.33 -1.85 -0.21 -1.84 3.85 -1.26 -3.07 116.55 110.85 1ffg n ASP 38 Ca 0.05 -2.06 -0.03 0.00 -0.71 0.00 0.00 54.79 52.04 1ffg n ASP 38 Cb 0.35 3.03 0.08 0.00 -1.35 0.00 0.00 41.12 43.22 1ffg n ASP 38 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1ffg h GLY 39 N 1.94 0.87 0.85 6.12 0.00 -1.31 -1.40 103.07 110.14 1ffg h GLY 39 Ca -0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ffg h GLY 39 CO 0.37 0.16 0.04 -2.08 0.00 0.00 0.00 176.54 175.03 1ffg h VAL 40 N 0.63 1.18 -0.87 4.60 2.07 -1.88 -0.84 116.25 121.14 1ffg h VAL 40 Ca 0.26 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1ffg h VAL 40 Cb 0.14 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1ffg h VAL 40 CO -0.16 0.17 0.55 -0.78 0.02 0.00 0.00 177.57 177.37 1ffg h ASP 41 N 0.04 0.91 -0.40 0.57 3.58 -1.94 -0.94 116.42 118.23 1ffg h ASP 41 Ca 0.04 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1ffg h ASP 41 Cb 0.22 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1ffg h ASP 41 CO -0.00 0.61 0.12 0.00 -2.88 0.00 0.00 179.24 177.09 1ffg h ALA 42 N 1.37 0.52 -0.58 -0.78 0.00 -0.91 -1.49 119.26 117.40 1ffg h ALA 42 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ffg h ALA 42 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1ffg h ALA 42 CO -0.13 0.17 0.26 -0.07 0.00 0.00 0.00 179.25 179.47 1ffg h LEU 43 N 0.49 0.77 -1.10 0.00 3.38 -0.72 0.85 115.31 118.98 1ffg h LEU 43 Ca 0.13 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ffg h LEU 43 Cb 0.27 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1ffg h LEU 43 CO -0.00 0.70 0.61 0.78 0.09 0.00 0.00 178.44 180.62 1ffg h ASN 44 N 0.79 1.01 0.55 -0.43 2.35 -0.93 -2.28 115.58 116.65 1ffg h ASN 44 Ca 0.20 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 1ffg h ASN 44 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1ffg h ASN 44 CO -0.02 0.70 -0.76 0.11 -1.65 0.00 0.00 177.43 175.81 1ffg h LYS 45 N 1.18 0.16 0.00 0.81 1.57 -0.59 -3.15 116.57 116.55 1ffg h LYS 45 Ca 0.36 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1ffg h LYS 45 Cb -0.02 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ffg h LYS 45 CO -0.10 0.85 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.40 1ffg h LEU 46 N 0.10 0.00 -1.97 2.94 3.38 -0.28 -3.05 115.31 116.44 1ffg h LEU 46 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ffg h LEU 46 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1ffg h LEU 46 CO 0.11 0.15 0.08 1.56 0.09 0.00 0.00 178.44 180.44 1ffg h GLN 47 N 0.00 0.04 0.00 1.13 1.08 -1.44 -1.05 115.11 114.86 1ffg h GLN 47 Ca -0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ffg h GLN 47 Cb 0.46 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1ffg h GLN 47 CO 0.02 0.03 0.00 0.00 -0.95 0.00 0.00 178.83 177.93 1ffg n ALA 48 N -2.55 1.90 -0.97 3.87 0.00 -1.15 -4.98 120.51 116.63 1ffg n ALA 48 Ca -0.01 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1ffg n ALA 48 Cb 0.17 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1ffg n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffg n GLY 49 N 0.02 -1.73 1.68 0.00 0.00 -0.40 -4.94 105.19 99.81 1ffg n GLY 49 Ca 0.08 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1ffg n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffg n GLY 50 N -2.25 2.89 3.77 -0.02 0.00 -1.26 -4.99 105.19 103.33 1ffg n GLY 50 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1ffg n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ffg s TYR 51 N -1.83 2.72 0.00 1.61 2.02 -1.26 -4.59 117.35 116.01 1ffg s TYR 51 Ca 0.00 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 1ffg s TYR 51 Cb 0.00 -3.77 0.00 0.00 -0.40 0.00 0.00 41.96 37.79 1ffg s TYR 51 CO 0.00 -2.38 0.38 0.41 -1.57 0.00 0.00 175.55 172.39 1ffg n GLY 52 N 0.63 -0.88 3.63 0.71 0.00 0.39 -4.94 105.19 104.73 1ffg n GLY 52 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1ffg n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ffg s PHE 53 N -0.21 -0.49 -0.07 1.61 2.19 -1.08 -4.28 117.98 115.65 1ffg s PHE 53 Ca 0.00 1.16 0.04 0.00 0.33 0.00 0.00 56.93 58.45 1ffg s PHE 53 Cb 0.00 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.08 1ffg s PHE 53 CO 0.00 -0.25 -0.18 0.08 1.83 0.00 0.00 175.22 176.69 1ffg s VAL 54 N 0.09 1.60 -0.23 3.12 1.01 -0.29 -1.10 120.40 124.60 1ffg s VAL 54 Ca 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1ffg s VAL 54 Cb -0.05 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1ffg s VAL 54 CO -0.05 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 1ffg s ILE 55 N 0.38 2.93 -0.03 2.22 1.09 -0.68 -0.29 121.20 126.82 1ffg s ILE 55 Ca -0.14 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 58.64 1ffg s ILE 55 Cb -0.16 -2.39 -0.00 0.00 -1.06 0.00 0.00 42.46 38.85 1ffg s ILE 55 CO 0.06 0.34 -0.13 -0.55 -0.10 0.00 0.00 174.94 174.55 1ffg s SER 56 N 1.38 1.68 0.87 3.58 0.15 -0.36 -0.79 113.70 120.21 1ffg s SER 56 Ca 0.03 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.30 1ffg s SER 56 Cb -0.15 -0.37 0.11 0.00 -1.71 0.00 0.00 66.02 63.90 1ffg s SER 56 CO -0.05 0.13 1.10 -0.62 1.20 0.00 0.00 173.24 174.99 1ffg s ASP 57 N -0.02 3.77 -0.14 5.45 2.15 0.05 -0.34 116.67 127.59 1ffg s ASP 57 Ca -0.01 1.36 -0.13 0.00 0.43 0.00 0.00 52.55 54.20 1ffg s ASP 57 Cb -0.09 -2.05 -0.11 0.00 -0.30 0.00 0.00 42.92 40.38 1ffg s ASP 57 CO 0.01 -2.43 0.20 -0.25 -0.17 0.00 0.00 175.17 172.52 1ffg h TRP 58 N -1.41 0.00 -3.72 -5.34 2.91 -1.77 -3.29 115.95 103.33 1ffg h TRP 58 Ca -0.49 0.00 -0.67 0.00 1.13 0.00 0.00 58.89 58.86 1ffg h TRP 58 Cb 1.29 0.00 -0.18 0.00 -0.51 0.00 0.00 29.16 29.75 1ffg h TRP 58 CO 0.42 0.50 -0.45 -0.80 -1.03 0.00 0.00 178.44 177.08 1ffg s ASN 59 N -5.97 6.08 -0.02 2.65 -0.87 -1.26 -1.06 114.94 114.48 1ffg s ASN 59 Ca -0.13 -0.36 -0.11 0.00 -1.57 0.00 0.00 52.86 50.70 1ffg s ASN 59 Cb 0.01 -2.15 0.01 0.00 -0.02 0.00 0.00 41.25 39.10 1ffg s ASN 59 CO 0.32 -0.24 0.23 -0.04 -2.57 0.00 0.00 177.10 174.81 1ffg s MET 60 N 1.77 0.53 0.81 -0.60 -1.94 -1.26 -4.75 119.30 113.86 1ffg s MET 60 Ca 0.07 -0.17 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 1ffg s MET 60 Cb -0.17 0.23 0.08 0.00 2.01 0.00 0.00 34.83 36.98 1ffg s MET 60 CO 0.11 -0.13 1.18 -1.25 -0.01 0.00 0.00 175.02 174.92 1ffg s PRO 61 N -1.09 1.92 0.00 2.03 0.04 -1.26 -3.54 135.00 133.10 1ffg s PRO 61 Ca -0.12 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1ffg s PRO 61 Cb -0.06 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ffg s PRO 61 CO 0.03 -1.62 0.00 0.09 0.04 0.00 0.00 177.00 175.54 1ffg n ASN 62 N -3.32 0.00 -3.52 6.66 3.02 -1.26 -4.50 115.26 112.34 1ffg n ASN 62 Ca 0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.61 1ffg n ASN 62 Cb 0.61 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.73 1ffg n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1ffg s MET 63 N 0.00 0.49 1.03 3.52 1.75 -1.26 -4.82 119.30 120.01 1ffg s MET 63 Ca 0.00 1.17 -0.16 0.00 -1.25 0.00 0.00 55.69 55.45 1ffg s MET 63 Cb 0.00 0.54 0.21 0.00 2.84 0.00 0.00 34.83 38.43 1ffg s MET 63 CO 0.00 -0.34 1.21 0.16 -0.65 0.00 0.00 175.02 175.40 1ffg s ASP 64 N 2.79 2.49 0.16 1.11 1.47 -1.23 -1.03 116.67 122.41 1ffg s ASP 64 Ca 0.02 0.53 -0.12 0.00 1.18 0.00 0.00 52.55 54.17 1ffg s ASP 64 Cb -0.13 -0.76 0.04 0.00 -0.34 0.00 0.00 42.92 41.74 1ffg s ASP 64 CO -0.18 -3.15 1.65 1.23 0.68 0.00 0.00 175.17 175.41 1ffg h GLY 65 N -1.92 0.97 1.02 2.12 0.00 -1.17 -1.42 103.07 102.68 1ffg h GLY 65 Ca -0.46 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.19 1ffg h GLY 65 CO 0.42 0.60 0.28 -2.00 0.00 0.00 0.00 176.54 175.84 1ffg h LEU 66 N 0.79 0.94 -1.02 3.11 5.85 -1.85 -1.48 115.31 121.66 1ffg h LEU 66 Ca 0.17 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1ffg h LEU 66 Cb 0.40 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1ffg h LEU 66 CO 0.01 0.85 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.36 1ffg h GLU 67 N 0.98 0.36 -0.47 1.25 4.39 -1.92 0.23 114.58 119.41 1ffg h GLU 67 Ca 0.23 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1ffg h GLU 67 Cb 0.20 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1ffg h GLU 67 CO -0.02 0.61 0.15 1.25 -1.16 0.00 0.00 179.01 179.85 1ffg h LEU 68 N 0.32 0.68 -0.10 1.33 5.85 -0.84 0.21 115.31 122.75 1ffg h LEU 68 Ca 0.05 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ffg h LEU 68 Cb 0.66 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ffg h LEU 68 CO 0.05 0.70 0.03 0.25 -0.34 0.00 0.00 178.44 179.13 1ffg h LEU 69 N 0.63 0.15 -0.75 2.25 5.85 -1.00 -1.32 115.31 121.12 1ffg h LEU 69 Ca 0.15 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ffg h LEU 69 Cb 0.26 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1ffg h LEU 69 CO -0.01 0.32 0.49 0.11 -0.34 0.00 0.00 178.44 179.02 1ffg h LYS 70 N -0.02 0.99 -0.31 1.25 1.57 -0.74 -1.58 116.57 117.73 1ffg h LYS 70 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1ffg h LYS 70 Cb 0.23 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ffg h LYS 70 CO -0.00 0.66 0.14 1.15 -0.57 0.00 0.00 179.45 180.84 1ffg h THR 71 N 1.02 1.16 -0.24 -0.16 2.02 -0.40 -1.49 112.91 114.82 1ffg h THR 71 Ca 0.27 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1ffg h THR 71 Cb -0.11 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1ffg h THR 71 CO -0.06 0.17 0.05 0.40 0.37 0.00 0.00 175.52 176.45 1ffg h ILE 72 N 0.37 0.90 0.00 3.11 2.04 -0.96 -1.85 117.51 121.12 1ffg h ILE 72 Ca 0.11 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1ffg h ILE 72 Cb 0.13 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1ffg h ILE 72 CO -0.01 0.03 -0.16 0.03 0.00 0.00 0.00 178.15 178.04 1ffg h ARG 73 N 0.15 0.00 -0.00 2.37 2.47 -1.09 -1.88 114.38 116.40 1ffg h ARG 73 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1ffg h ARG 73 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1ffg h ARG 73 CO -0.13 0.16 -0.08 0.00 0.56 0.00 0.00 179.97 180.48 1ffg n ALA 74 N -2.38 2.72 -2.92 0.04 0.00 -0.58 -4.67 120.51 112.72 1ffg n ALA 74 Ca -0.02 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1ffg n ALA 74 Cb 0.25 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 1ffg n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ffg s ASP 75 N -2.34 5.54 0.50 0.00 2.15 -0.71 -4.97 116.67 116.84 1ffg s ASP 75 Ca 0.33 -0.77 0.34 0.00 0.43 0.00 0.00 52.55 52.89 1ffg s ASP 75 Cb 0.20 -1.98 1.48 0.00 -0.30 0.00 0.00 42.92 42.32 1ffg s ASP 75 CO 0.44 -0.27 1.73 1.23 -0.17 0.00 0.00 175.17 178.12 1ffg h GLY 76 N 8.36 0.46 1.30 2.66 0.00 -1.85 0.18 103.07 114.18 1ffg h GLY 76 Ca -0.29 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1ffg h GLY 76 CO 0.63 -0.09 -0.35 0.00 0.00 0.00 0.00 176.54 176.73 1ffg h ALA 77 N 1.41 0.74 0.00 3.60 0.00 -1.93 -3.33 119.26 119.75 1ffg h ALA 77 Ca 0.68 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ffg h ALA 77 Cb 2.42 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 20.05 1ffg h ALA 77 CO -0.13 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.47 1ffg n MET 78 N -4.06 0.95 0.29 0.00 0.00 -0.25 -4.86 117.12 109.19 1ffg n MET 78 Ca -0.01 -2.33 0.17 0.00 0.00 0.00 0.00 57.70 55.52 1ffg n MET 78 Cb 0.51 -1.17 0.92 0.00 0.00 0.00 0.00 33.22 33.47 1ffg n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1ffg h SER 79 N 0.29 0.00 -0.30 3.17 4.64 -0.78 -2.06 113.55 118.52 1ffg h SER 79 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ffg h SER 79 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ffg h SER 79 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1ffg n ALA 80 N -1.92 2.29 -1.70 5.18 0.00 -1.26 -4.49 120.51 118.61 1ffg n ALA 80 Ca -0.02 -1.34 -0.44 0.00 0.00 0.00 0.00 53.44 51.64 1ffg n ALA 80 Cb 0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1ffg n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ffg n LEU 81 N 0.23 3.57 -4.76 0.00 7.94 -0.78 -4.92 117.00 118.28 1ffg n LEU 81 Ca 0.12 1.09 -0.41 0.00 -1.11 0.00 0.00 56.01 55.71 1ffg n LEU 81 Cb 0.49 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.92 1ffg n LEU 81 CO 0.08 -0.10 1.00 -2.84 -1.11 0.00 0.00 177.39 174.42 1ffg s PRO 82 N 0.60 4.34 -0.05 1.96 0.02 -1.26 -4.92 135.00 135.69 1ffg s PRO 82 Ca 0.74 2.23 -0.01 0.00 0.02 0.00 0.00 61.00 63.98 1ffg s PRO 82 Cb -0.59 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 30.88 1ffg s PRO 82 CO 0.39 -0.23 0.02 0.08 -0.33 0.00 0.00 177.00 176.93 1ffg s VAL 83 N -0.92 0.15 -0.28 3.83 1.01 -1.26 -1.14 120.40 121.79 1ffg s VAL 83 Ca 0.51 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1ffg s VAL 83 Cb -0.40 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1ffg s VAL 83 CO 0.51 0.21 0.06 -0.22 0.00 0.00 0.00 175.10 175.66 1ffg s LEU 84 N 1.87 3.66 0.16 3.92 2.96 0.61 -0.61 118.68 131.25 1ffg s LEU 84 Ca 0.02 -0.60 -0.24 0.00 -0.22 0.00 0.00 54.13 53.09 1ffg s LEU 84 Cb -0.12 -1.87 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 1ffg s LEU 84 CO -0.04 -0.15 0.75 -0.04 -1.32 0.00 0.00 176.35 175.56 1ffg s MET 85 N 1.51 4.49 -0.22 1.98 -1.94 -0.68 -1.23 119.30 123.22 1ffg s MET 85 Ca 0.03 1.08 -0.05 0.00 -1.71 0.00 0.00 55.69 55.05 1ffg s MET 85 Cb -0.17 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 1ffg s MET 85 CO 0.02 0.56 -0.01 0.08 -0.01 0.00 0.00 175.02 175.66 1ffg s VAL 86 N -1.19 3.73 0.22 -6.03 1.01 0.54 -0.98 120.40 117.69 1ffg s VAL 86 Ca 0.36 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 62.07 1ffg s VAL 86 Cb -0.22 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1ffg s VAL 86 CO 0.25 0.41 -0.21 0.28 0.00 0.00 0.00 175.10 175.83 1ffg s THR 87 N 1.30 2.50 0.10 3.92 -1.32 -0.37 -2.09 115.64 119.69 1ffg s THR 87 Ca 0.04 -2.10 0.25 0.00 -1.21 0.00 0.00 61.69 58.67 1ffg s THR 87 Cb -0.15 -2.24 0.25 0.00 -1.51 0.00 0.00 72.50 68.86 1ffg s THR 87 CO 0.00 -0.20 1.83 0.00 -2.21 0.00 0.00 174.62 174.04 1ffg h ALA 88 N 2.89 1.01 -2.98 11.08 0.00 -1.87 -1.11 119.26 128.27 1ffg h ALA 88 Ca -0.45 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.31 1ffg h ALA 88 Cb 1.22 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1ffg h ALA 88 CO 0.52 0.25 0.19 -1.83 0.00 0.00 0.00 179.25 178.38 1ffg s GLU 89 N -3.62 1.56 -0.69 0.00 -1.05 -1.26 -4.58 118.70 109.06 1ffg s GLU 89 Ca 0.01 -0.81 -0.07 0.00 -0.15 0.00 0.00 54.97 53.95 1ffg s GLU 89 Cb 0.10 0.59 -0.17 0.00 -0.44 0.00 0.00 34.13 34.20 1ffg s GLU 89 CO 0.63 -0.70 3.30 0.00 0.95 0.00 0.00 175.26 179.43 1ffg n ALA 90 N -0.42 6.86 -2.22 -0.84 0.00 -1.26 -4.93 120.51 117.70 1ffg n ALA 90 Ca -0.09 -2.61 -0.42 0.00 0.00 0.00 0.00 53.44 50.31 1ffg n ALA 90 Cb 0.61 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1ffg n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ffg s LYS 91 N 1.26 4.27 0.30 0.00 1.02 -1.26 -4.92 119.74 120.40 1ffg s LYS 91 Ca 0.67 1.95 0.02 0.00 0.02 0.00 0.00 55.97 58.63 1ffg s LYS 91 Cb 0.26 -3.65 0.57 0.00 -0.52 0.00 0.00 37.83 34.49 1ffg s LYS 91 CO -0.04 -0.62 1.88 1.57 -0.92 0.00 0.00 175.35 177.22 1ffg h LYS 92 N 8.08 0.96 -0.22 1.68 2.10 -1.99 -1.39 116.57 125.78 1ffg h LYS 92 Ca -0.37 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.16 1ffg h LYS 92 Cb 1.17 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1ffg h LYS 92 CO 0.92 0.64 -0.15 1.05 -2.00 0.00 0.00 179.45 179.90 1ffg h GLU 93 N 0.99 0.37 -0.12 0.07 9.09 -1.99 -1.24 114.58 121.75 1ffg h GLU 93 Ca 0.44 -0.10 -0.19 0.00 0.05 0.00 0.00 59.36 59.56 1ffg h GLU 93 Cb 0.37 -0.04 0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1ffg h GLU 93 CO -0.20 0.52 -0.68 -0.91 0.05 0.00 0.00 179.01 177.79 1ffg h ASN 94 N 0.34 0.80 -0.26 3.06 -0.26 -1.69 -2.03 115.58 115.54 1ffg h ASN 94 Ca 0.06 -0.65 0.02 0.00 -0.56 0.00 0.00 56.30 55.17 1ffg h ASN 94 Cb 0.47 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1ffg h ASN 94 CO 0.03 1.32 0.13 0.40 -1.06 0.00 0.00 177.43 178.25 1ffg h ILE 95 N 0.33 0.99 -0.27 2.81 1.08 -1.07 -0.21 117.51 121.18 1ffg h ILE 95 Ca -0.05 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1ffg h ILE 95 Cb 1.32 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1ffg h ILE 95 CO 0.14 0.05 0.05 0.40 -0.69 0.00 0.00 178.15 178.10 1ffg h ILE 96 N 0.28 1.23 -0.62 -0.67 2.04 -1.29 -1.38 117.51 117.09 1ffg h ILE 96 Ca 0.11 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.25 1ffg h ILE 96 Cb 0.03 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1ffg h ILE 96 CO -0.08 0.25 0.37 0.00 0.00 0.00 0.00 178.15 178.69 1ffg h ALA 97 N 0.87 0.81 -0.41 1.87 0.00 -1.07 0.20 119.26 121.53 1ffg h ALA 97 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ffg h ALA 97 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ffg h ALA 97 CO 0.00 0.09 0.11 0.00 0.00 0.00 0.00 179.25 179.45 1ffg h ALA 98 N 1.29 0.54 -0.24 0.00 0.00 -0.96 0.31 119.26 120.19 1ffg h ALA 98 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ffg h ALA 98 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ffg h ALA 98 CO -0.13 0.20 0.12 0.00 0.00 0.00 0.00 179.25 179.44 1ffg h ALA 99 N 0.96 0.31 -0.15 0.00 0.00 -0.52 -1.33 119.26 118.54 1ffg h ALA 99 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ffg h ALA 99 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ffg h ALA 99 CO -0.00 -0.14 -0.23 1.96 0.00 0.00 0.00 179.25 180.84 1ffg h GLN 100 N 0.27 0.26 0.00 0.00 1.08 -0.51 -2.12 115.11 114.09 1ffg h GLN 100 Ca 0.08 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ffg h GLN 100 Cb 0.10 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1ffg h GLN 100 CO -0.01 0.48 0.00 0.00 -0.95 0.00 0.00 178.83 178.35 1ffg n ALA 101 N -2.48 2.31 0.00 3.87 0.00 0.08 -4.89 120.51 119.41 1ffg n ALA 101 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ffg n ALA 101 Cb 0.35 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1ffg n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffg n GLY 102 N 0.82 1.00 3.72 0.00 0.00 -0.80 -4.69 105.19 105.25 1ffg n GLY 102 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1ffg n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffg n ALA 103 N -1.99 0.76 0.49 4.61 0.00 -0.54 -4.89 120.51 118.95 1ffg n ALA 103 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1ffg n ALA 103 Cb 0.00 -2.30 0.25 0.00 0.00 0.00 0.00 19.45 17.40 1ffg n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ffg h SER 104 N 0.05 0.00 0.00 0.00 0.02 -1.20 -3.45 113.55 108.97 1ffg h SER 104 Ca -0.49 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1ffg h SER 104 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1ffg h SER 104 CO 0.51 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 1ffg n GLY 105 N 1.27 -0.34 3.15 -3.77 0.00 -1.22 -4.86 105.19 99.41 1ffg n GLY 105 Ca 0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1ffg n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ffg s TYR 106 N -2.00 0.56 -0.07 1.61 -0.85 -1.26 -1.69 117.35 113.66 1ffg s TYR 106 Ca 0.00 -1.02 -0.13 0.00 -0.52 0.00 0.00 57.07 55.40 1ffg s TYR 106 Cb 0.00 -0.33 0.03 0.00 0.38 0.00 0.00 41.96 42.03 1ffg s TYR 106 CO 0.00 -0.48 0.31 0.54 -1.52 0.00 0.00 175.55 174.40 1ffg s VAL 107 N -3.96 0.03 -0.19 -3.49 0.11 -0.15 -4.90 120.40 107.85 1ffg s VAL 107 Ca 0.13 -0.26 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1ffg s VAL 107 Cb 0.07 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1ffg s VAL 107 CO -0.05 -0.14 0.28 -0.69 -3.33 0.00 0.00 175.10 171.17 1ffg s VAL 108 N -0.62 5.30 0.25 2.04 1.01 -1.26 -1.23 120.40 125.88 1ffg s VAL 108 Ca -0.07 0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1ffg s VAL 108 Cb -0.04 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1ffg s VAL 108 CO 0.02 0.34 0.55 -1.59 0.00 0.00 0.00 175.10 174.43 1ffg s LYS 109 N 0.82 3.76 0.48 2.72 -2.85 -0.42 -3.96 119.74 120.29 1ffg s LYS 109 Ca 0.15 0.22 -0.20 0.00 -1.00 0.00 0.00 55.97 55.13 1ffg s LYS 109 Cb -0.13 -2.64 -0.09 0.00 -2.06 0.00 0.00 37.83 32.91 1ffg s LYS 109 CO 0.05 0.29 1.01 -1.25 0.10 0.00 0.00 175.35 175.55 1ffg s PRO 110 N -3.00 3.89 0.09 1.78 0.04 -1.26 -4.70 135.00 131.84 1ffg s PRO 110 Ca 0.47 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1ffg s PRO 110 Cb -0.11 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1ffg s PRO 110 CO 0.23 -0.34 -0.07 -0.59 0.04 0.00 0.00 177.00 176.27 1ffg s PHE 111 N -2.09 0.90 0.64 0.56 -0.12 -1.25 -5.16 117.98 111.45 1ffg s PHE 111 Ca 0.65 -0.81 -0.01 0.00 -0.05 0.00 0.00 56.93 56.71 1ffg s PHE 111 Cb -0.14 -0.51 0.07 0.00 -0.63 0.00 0.00 43.02 41.80 1ffg s PHE 111 CO 0.20 -0.11 0.90 0.95 -0.05 0.00 0.00 175.22 177.11 1ffg s THR 112 N -3.11 2.43 0.24 -4.49 -4.23 -1.26 -4.96 115.64 100.26 1ffg s THR 112 Ca 0.08 -0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 1ffg s THR 112 Cb 0.02 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.17 1ffg s THR 112 CO -0.03 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.88 1ffg h ALA 113 N -0.27 1.15 -0.37 3.99 0.00 -1.99 -1.37 119.26 120.41 1ffg h ALA 113 Ca -0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1ffg h ALA 113 Cb 1.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1ffg h ALA 113 CO 0.50 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.60 1ffg h ALA 114 N 1.27 0.47 -0.56 0.00 0.00 -1.98 0.60 119.26 119.05 1ffg h ALA 114 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ffg h ALA 114 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ffg h ALA 114 CO -0.03 -0.01 0.28 1.15 0.00 0.00 0.00 179.25 180.63 1ffg h THR 115 N 0.47 1.20 -0.76 0.00 2.02 -1.85 -2.25 112.91 111.74 1ffg h THR 115 Ca 0.13 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1ffg h THR 115 Cb 0.04 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1ffg h THR 115 CO -0.02 0.23 0.36 0.25 0.37 0.00 0.00 175.52 176.71 1ffg h LEU 116 N 0.76 1.01 -0.72 2.58 5.85 -0.77 -2.07 115.31 121.95 1ffg h LEU 116 Ca 0.19 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ffg h LEU 116 Cb 0.11 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1ffg h LEU 116 CO -0.03 0.87 0.44 -0.08 -0.34 0.00 0.00 178.44 179.30 1ffg h GLU 117 N 1.08 0.98 -0.23 1.25 4.81 -0.72 0.13 114.58 121.88 1ffg h GLU 117 Ca 0.26 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1ffg h GLU 117 Cb 0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1ffg h GLU 117 CO -0.03 0.69 0.10 0.93 -0.73 0.00 0.00 179.01 179.96 1ffg h GLU 118 N 0.99 0.34 -0.44 1.92 5.08 -1.00 -0.61 114.58 120.85 1ffg h GLU 118 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1ffg h GLU 118 Cb -0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1ffg h GLU 118 CO -0.05 0.38 0.28 0.87 -1.00 0.00 0.00 179.01 179.48 1ffg h LYS 119 N 0.22 0.59 -0.05 2.33 1.79 -1.01 -2.16 116.57 118.28 1ffg h LYS 119 Ca 0.08 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1ffg h LYS 119 Cb 0.16 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1ffg h LYS 119 CO -0.01 0.42 0.02 -0.07 -1.08 0.00 0.00 179.45 178.74 1ffg h LEU 120 N 0.59 0.06 -1.47 2.94 4.07 -0.66 -2.69 115.31 118.15 1ffg h LEU 120 Ca 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1ffg h LEU 120 Cb -0.03 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1ffg h LEU 120 CO -0.03 0.15 0.22 0.78 -1.08 0.00 0.00 178.44 178.48 1ffg h ASN 121 N -0.03 0.51 -0.27 -0.43 2.35 -0.92 -0.53 115.58 116.26 1ffg h ASN 121 Ca 0.02 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1ffg h ASN 121 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1ffg h ASN 121 CO -0.00 0.43 0.03 0.50 -1.65 0.00 0.00 177.43 176.74 1ffg h LYS 122 N 0.59 0.45 -0.43 0.81 1.63 -1.31 -0.51 116.57 117.80 1ffg h LYS 122 Ca 0.15 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ffg h LYS 122 Cb 0.03 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1ffg h LYS 122 CO -0.02 0.58 0.27 0.82 -3.45 0.00 0.00 179.45 177.64 1ffg h ILE 123 N 0.26 1.13 -0.97 2.00 2.04 -0.97 -0.92 117.51 120.09 1ffg h ILE 123 Ca 0.08 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ffg h ILE 123 Cb 0.35 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1ffg h ILE 123 CO 0.01 0.13 0.60 -0.26 0.00 0.00 0.00 178.15 178.63 1ffg h PHE 124 N 0.58 1.26 -0.19 1.37 0.05 -1.01 -1.42 116.94 117.58 1ffg h PHE 124 Ca 0.16 0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.86 1ffg h PHE 124 Cb -0.02 -0.42 -0.01 0.00 2.00 0.00 0.00 35.95 37.50 1ffg h PHE 124 CO -0.04 0.82 -0.28 1.49 -0.18 0.00 0.00 178.31 180.13 1ffg h GLU 125 N 1.33 0.35 0.00 1.51 4.81 -0.64 0.33 114.58 122.28 1ffg h GLU 125 Ca 0.35 -0.13 -0.19 0.00 -0.13 0.00 0.00 59.36 59.26 1ffg h GLU 125 Cb -0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ffg h GLU 125 CO -0.07 0.60 -0.86 -0.22 -0.73 0.00 0.00 179.01 177.74 1ffg h LYS 126 N 0.31 0.10 -0.62 1.92 3.64 -0.59 -3.18 116.57 118.15 1ffg h LYS 126 Ca 0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ffg h LYS 126 Cb 0.65 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1ffg h LYS 126 CO 0.05 0.89 0.00 1.28 -2.27 0.00 0.00 179.45 179.40 1ffg n LEU 127 N -3.60 3.73 -2.93 5.20 4.77 -0.59 -4.96 117.00 118.62 1ffg n LEU 127 Ca -0.02 -1.79 -0.14 0.00 -0.03 0.00 0.00 56.01 54.03 1ffg n LEU 127 Cb 0.80 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1ffg n LEU 127 CO 0.46 0.89 0.10 0.61 -1.33 0.00 0.00 177.39 178.13 1ffg n GLY 128 N 1.61 -0.20 0.29 -0.72 0.00 -0.73 -5.05 105.19 100.38 1ffg n GLY 128 Ca 0.23 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1ffg n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35