#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffg n ASP 3 N 0.00 3.80 0.00 0.00 4.64 -1.26 -4.85 116.55 118.87 1ffg n ASP 3 Ca 0.00 0.96 0.05 0.00 -1.38 0.00 0.00 54.79 54.42 1ffg n ASP 3 Cb 0.00 -1.46 0.24 0.00 -1.04 0.00 0.00 41.12 38.86 1ffg n ASP 3 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1ffg n LYS 4 N 6.53 0.05 -0.31 -0.67 4.76 -1.26 -1.47 118.16 125.79 1ffg n LYS 4 Ca 0.20 0.27 0.11 0.00 -2.87 0.00 0.00 58.31 56.02 1ffg n LYS 4 Cb 0.35 -1.50 0.28 0.00 -1.84 0.00 0.00 35.03 32.32 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 2.51 -1.66 1.97 -0.58 -1.26 -4.21 120.64 115.97 1ffg n GLU 5 Ca 0.03 -2.33 -0.47 0.00 -0.42 0.00 0.00 57.16 53.97 1ffg n GLU 5 Cb 0.11 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.43 1ffg n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ffg n LEU 6 N 1.42 3.01 -4.60 -4.62 7.94 -0.54 -4.83 117.00 114.77 1ffg n LEU 6 Ca 0.22 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.78 1ffg n LEU 6 Cb 0.56 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 43.05 1ffg n LEU 6 CO 0.15 -0.33 0.53 -0.75 -1.11 0.00 0.00 177.39 175.88 1ffg s LYS 7 N 1.15 3.90 -0.03 1.96 2.20 -1.26 -4.55 119.74 123.11 1ffg s LYS 7 Ca 0.80 0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 56.83 1ffg s LYS 7 Cb -0.70 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 31.83 1ffg s LYS 7 CO 0.40 -0.68 0.16 -0.06 -0.36 0.00 0.00 175.35 174.80 1ffg s PHE 8 N 2.89 3.53 -0.19 4.03 0.40 -0.78 -0.28 117.98 127.57 1ffg s PHE 8 Ca 0.30 0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 57.00 1ffg s PHE 8 Cb -0.14 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.56 1ffg s PHE 8 CO 0.13 0.65 -0.16 -1.17 0.70 0.00 0.00 175.22 175.38 1ffg s LEU 9 N -1.74 2.37 -0.32 -0.37 2.96 -0.56 -1.05 118.68 119.98 1ffg s LEU 9 Ca 0.24 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 1ffg s LEU 9 Cb -0.12 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1ffg s LEU 9 CO 0.15 -0.01 0.20 -0.69 -1.32 0.00 0.00 176.35 174.68 1ffg s VAL 10 N 1.33 4.95 -0.20 1.68 1.01 -0.15 -1.32 120.40 127.70 1ffg s VAL 10 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1ffg s VAL 10 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1ffg s VAL 10 CO -0.10 0.04 -0.04 -0.69 0.00 0.00 0.00 175.10 174.31 1ffg s VAL 11 N 1.67 3.51 -0.28 2.92 1.01 -0.06 -0.88 120.40 128.29 1ffg s VAL 11 Ca 0.05 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1ffg s VAL 11 Cb -0.17 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.76 1ffg s VAL 11 CO 0.08 0.43 1.06 -0.62 0.00 0.00 0.00 175.10 176.06 1ffg s ASP 12 N 1.22 -0.42 0.00 3.32 -1.08 -0.81 -0.59 116.67 118.30 1ffg s ASP 12 Ca 0.03 0.79 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 1ffg s ASP 12 Cb -0.14 0.85 1.11 0.00 -1.46 0.00 0.00 42.92 43.28 1ffg s ASP 12 CO -0.01 -0.14 1.83 -0.90 0.52 0.00 0.00 175.17 176.48 1ffg n ASP 13 N 2.34 0.00 -4.57 -0.34 5.75 -1.19 -4.28 116.55 114.25 1ffg n ASP 13 Ca -0.13 0.47 -0.38 0.00 -0.01 0.00 0.00 54.79 54.74 1ffg n ASP 13 Cb 0.56 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 40.05 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 -2.98 3.21 0.19 2.11 5.36 -1.26 -4.99 117.98 119.62 1ffg s PHE 14 Ca 0.13 0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 56.04 1ffg s PHE 14 Cb 0.17 -2.37 0.14 0.00 -0.34 0.00 0.00 43.02 40.61 1ffg s PHE 14 CO 0.47 -0.19 1.84 0.66 -1.46 0.00 0.00 175.22 176.54 1ffg h SER 15 N 8.36 0.63 -0.34 6.13 4.64 -2.00 -1.92 113.55 129.06 1ffg h SER 15 Ca -0.35 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1ffg h SER 15 Cb 1.19 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1ffg h SER 15 CO 0.56 0.44 0.09 0.74 -0.87 0.00 0.00 176.83 177.79 1ffg h THR 16 N 0.76 0.86 -0.48 2.95 2.02 -1.98 -1.27 112.91 115.77 1ffg h THR 16 Ca 0.24 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1ffg h THR 16 Cb -0.00 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1ffg h THR 16 CO -0.09 0.04 0.06 -0.03 0.37 0.00 0.00 175.52 175.87 1ffg h MET 17 N 0.21 0.75 -0.39 6.66 -1.53 -1.89 0.14 114.93 118.89 1ffg h MET 17 Ca 0.16 -0.17 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1ffg h MET 17 Cb 0.16 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 1ffg h MET 17 CO -0.19 0.72 0.20 0.00 0.14 0.00 0.00 176.91 177.78 1ffg h ARG 18 N 0.72 0.55 -0.38 0.39 3.08 -0.88 -1.26 114.38 116.60 1ffg h ARG 18 Ca 0.15 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1ffg h ARG 18 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1ffg h ARG 18 CO 0.01 0.47 -0.10 0.00 -1.07 0.00 0.00 179.97 179.28 1ffg h ARG 19 N 0.50 0.65 -0.08 0.04 3.08 -0.44 -0.81 114.38 117.31 1ffg h ARG 19 Ca 0.14 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ffg h ARG 19 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ffg h ARG 19 CO -0.02 0.74 0.03 0.82 -1.07 0.00 0.00 179.97 180.47 1ffg h ILE 20 N 0.60 1.14 -0.67 2.04 2.04 -0.40 -0.67 117.51 121.58 1ffg h ILE 20 Ca 0.11 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1ffg h ILE 20 Cb 0.52 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1ffg h ILE 20 CO 0.03 0.12 0.38 0.58 0.00 0.00 0.00 178.15 179.26 1ffg h VAL 21 N -0.02 1.20 -0.89 1.67 2.07 -0.91 0.03 116.25 119.40 1ffg h VAL 21 Ca 0.03 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1ffg h VAL 21 Cb 0.16 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1ffg h VAL 21 CO -0.00 0.22 0.58 -0.09 0.02 0.00 0.00 177.57 178.29 1ffg h ARG 22 N 0.91 1.10 -0.04 1.57 2.43 -1.03 -0.35 114.38 118.98 1ffg h ARG 22 Ca 0.24 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.18 1ffg h ARG 22 Cb 0.01 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1ffg h ARG 22 CO -0.04 0.73 -0.68 -0.91 -1.51 0.00 0.00 179.97 177.56 1ffg h ASN 23 N 1.14 0.20 -0.39 -3.80 4.21 -0.23 -1.79 115.58 114.91 1ffg h ASN 23 Ca 0.35 -0.13 -0.14 0.00 1.21 0.00 0.00 56.30 57.58 1ffg h ASN 23 Cb -0.03 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 1ffg h ASN 23 CO -0.11 0.82 -0.32 -0.07 -1.29 0.00 0.00 177.43 176.46 1ffg h LEU 24 N 0.12 0.96 -1.08 1.61 3.38 -0.49 -1.32 115.31 118.49 1ffg h LEU 24 Ca -0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1ffg h LEU 24 Cb 1.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1ffg h LEU 24 CO 0.10 1.21 0.42 -0.07 0.09 0.00 0.00 178.44 180.18 1ffg h LEU 25 N 0.73 0.95 -0.51 1.67 3.38 -0.98 -1.82 115.31 118.72 1ffg h LEU 25 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ffg h LEU 25 Cb 0.91 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1ffg h LEU 25 CO 0.08 0.76 0.30 0.50 0.09 0.00 0.00 178.44 180.17 1ffg h LYS 26 N 1.07 0.69 -0.71 1.13 3.64 -1.02 -0.49 116.57 120.87 1ffg h LYS 26 Ca 0.27 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.69 1ffg h LYS 26 Cb 0.03 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1ffg h LYS 26 CO -0.04 0.51 0.47 1.49 -2.27 0.00 0.00 179.45 179.61 1ffg h GLU 27 N 0.68 0.55 -0.08 1.90 4.57 -0.45 0.37 114.58 122.11 1ffg h GLU 27 Ca 0.18 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1ffg h GLU 27 Cb 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1ffg h GLU 27 CO -0.03 0.36 0.00 1.28 -1.18 0.00 0.00 179.01 179.44 1ffg n LEU 28 N -4.49 1.13 0.00 1.64 4.77 -0.56 -4.91 117.00 114.58 1ffg n LEU 28 Ca 0.12 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1ffg n LEU 28 Cb 0.37 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1ffg n LEU 28 CO 0.33 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1ffg n GLY 29 N 1.06 0.81 3.37 -0.72 0.00 0.12 -5.05 105.19 104.77 1ffg n GLY 29 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.14 3.24 -0.99 1.61 0.08 -0.30 -4.85 117.98 114.63 1ffg s PHE 30 Ca 0.00 -0.99 0.14 0.00 0.12 0.00 0.00 56.93 56.20 1ffg s PHE 30 Cb 0.00 -2.42 -0.07 0.00 -0.57 0.00 0.00 43.02 39.96 1ffg s PHE 30 CO 0.00 -0.64 0.69 0.09 -0.10 0.00 0.00 175.22 175.26 1ffg n ASN 31 N 4.98 1.09 -4.45 1.36 3.02 -1.26 -3.13 115.26 116.86 1ffg n ASN 31 Ca -0.12 -1.05 -0.44 0.00 -0.03 0.00 0.00 54.58 52.94 1ffg n ASN 31 Cb 0.46 0.73 -0.00 0.00 -0.61 0.00 0.00 39.78 40.35 1ffg n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ffg s ASN 32 N -2.01 7.02 -0.02 6.41 2.47 -1.26 -4.96 114.94 122.59 1ffg s ASN 32 Ca 0.09 -2.90 0.04 0.00 0.42 0.00 0.00 52.86 50.51 1ffg s ASN 32 Cb 0.11 -2.38 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1ffg s ASN 32 CO 0.46 -0.75 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.27 1ffg s VAL 33 N 1.46 1.04 0.32 -5.21 1.01 -1.26 -1.87 120.40 115.89 1ffg s VAL 33 Ca 0.39 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1ffg s VAL 33 Cb -0.04 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1ffg s VAL 33 CO -0.02 0.30 -0.04 -1.61 0.00 0.00 0.00 175.10 173.73 1ffg s GLU 34 N -0.13 1.69 0.12 2.72 0.41 -0.21 -4.98 118.70 118.33 1ffg s GLU 34 Ca 0.02 -1.89 0.07 0.00 -0.41 0.00 0.00 54.97 52.76 1ffg s GLU 34 Cb -0.07 -1.31 -0.04 0.00 -1.78 0.00 0.00 34.13 30.94 1ffg s GLU 34 CO 0.00 0.01 -0.16 -1.21 -0.49 0.00 0.00 175.26 173.41 1ffg s GLU 35 N -3.72 1.08 0.02 1.61 2.02 -1.26 -0.97 118.70 117.47 1ffg s GLU 35 Ca 0.32 -1.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.07 1ffg s GLU 35 Cb 0.05 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 1ffg s GLU 35 CO 0.14 0.23 -0.02 0.00 0.02 0.00 0.00 175.26 175.64 1ffg s ALA 36 N -1.83 0.08 -0.89 5.21 0.00 -0.06 -4.89 121.76 119.37 1ffg s ALA 36 Ca 0.09 -0.51 0.23 0.00 0.00 0.00 0.00 51.96 51.77 1ffg s ALA 36 Cb -0.07 0.13 0.17 0.00 0.00 0.00 0.00 23.12 23.36 1ffg s ALA 36 CO 0.04 -0.15 1.16 -0.85 0.00 0.00 0.00 175.76 175.96 1ffg n GLU 37 N 1.70 0.08 -3.94 0.00 0.28 -1.26 -1.93 120.64 115.58 1ffg n GLU 37 Ca -0.23 -0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.76 1ffg n GLU 37 Cb 0.55 -1.53 0.02 0.00 1.43 0.00 0.00 31.44 31.92 1ffg n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1ffg s ASP 38 N -3.26 0.02 0.38 -1.84 3.84 -1.26 -3.19 116.67 111.36 1ffg s ASP 38 Ca 0.08 -0.52 0.05 0.00 -0.00 0.00 0.00 52.55 52.16 1ffg s ASP 38 Cb 0.16 0.37 0.76 0.00 -1.38 0.00 0.00 42.92 42.83 1ffg s ASP 38 CO 0.78 -0.74 2.03 1.23 -0.00 0.00 0.00 175.17 178.47 1ffg h GLY 39 N 2.00 0.73 0.66 2.12 0.00 -1.46 0.25 103.07 107.36 1ffg h GLY 39 Ca -0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ffg h GLY 39 CO 0.35 0.26 -0.10 -2.08 0.00 0.00 0.00 176.54 174.97 1ffg h VAL 40 N 0.69 0.87 -0.65 4.60 2.07 -1.88 0.17 116.25 122.13 1ffg h VAL 40 Ca 0.19 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1ffg h VAL 40 Cb -0.06 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1ffg h VAL 40 CO -0.04 0.15 0.41 -0.78 0.02 0.00 0.00 177.57 177.32 1ffg h ASP 41 N -0.63 0.69 -0.03 0.57 3.58 -1.91 -1.17 116.42 117.52 1ffg h ASP 41 Ca -0.03 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ffg h ASP 41 Cb 0.45 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1ffg h ASP 41 CO 0.05 0.49 0.02 0.00 -2.88 0.00 0.00 179.24 176.91 1ffg h ALA 42 N 1.26 0.03 -0.68 -0.78 0.00 -0.90 -1.02 119.26 117.18 1ffg h ALA 42 Ca 0.25 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ffg h ALA 42 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ffg h ALA 42 CO -0.08 -0.43 0.41 -0.07 0.00 0.00 0.00 179.25 179.08 1ffg h LEU 43 N -0.03 0.67 -0.36 0.00 3.38 -0.66 0.67 115.31 118.98 1ffg h LEU 43 Ca 0.01 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1ffg h LEU 43 Cb 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1ffg h LEU 43 CO -0.00 0.46 0.08 0.78 0.09 0.00 0.00 178.44 179.85 1ffg h ASN 44 N 0.80 0.04 -0.56 -0.43 2.35 -0.96 -2.17 115.58 114.66 1ffg h ASN 44 Ca 0.28 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 56.01 1ffg h ASN 44 Cb 0.05 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1ffg h ASN 44 CO -0.12 0.06 0.08 0.11 -1.65 0.00 0.00 177.43 175.91 1ffg h LYS 45 N 0.21 0.97 0.00 0.81 1.57 -0.61 -2.83 116.57 116.70 1ffg h LYS 45 Ca 0.17 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1ffg h LYS 45 Cb 0.18 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ffg h LYS 45 CO -0.21 0.91 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.41 1ffg h LEU 46 N 0.91 0.00 -1.20 2.94 3.38 -0.50 -1.35 115.31 119.49 1ffg h LEU 46 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1ffg h LEU 46 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ffg h LEU 46 CO 0.01 0.10 -0.33 1.56 0.09 0.00 0.00 178.44 179.87 1ffg h GLN 47 N 0.00 0.12 0.00 1.13 7.50 -1.14 -1.87 115.11 120.86 1ffg h GLN 47 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1ffg h GLN 47 Cb 0.20 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.72 1ffg h GLN 47 CO 0.01 0.44 0.15 0.00 -1.50 0.00 0.00 178.83 177.94 1ffg h ALA 48 N 1.56 1.14 -0.87 3.87 0.00 -1.27 -3.48 119.26 120.21 1ffg h ALA 48 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1ffg h ALA 48 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1ffg h ALA 48 CO 0.05 -0.14 -0.21 0.41 0.00 0.00 0.00 179.25 179.36 1ffg n GLY 49 N -1.17 -1.92 1.64 0.00 0.00 -0.70 -4.98 105.19 98.06 1ffg n GLY 49 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.63 1.75 3.75 -0.02 0.00 -1.26 -4.98 105.19 101.80 1ffg n GLY 50 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.48 3.65 0.00 1.61 2.02 -1.26 -4.54 117.35 116.35 1ffg s TYR 51 Ca 0.00 1.72 0.00 0.00 -0.37 0.00 0.00 57.07 58.42 1ffg s TYR 51 Cb 0.00 -3.23 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 1ffg s TYR 51 CO 0.00 -0.39 0.68 0.41 -1.57 0.00 0.00 175.55 174.68 1ffg n GLY 52 N 1.36 0.50 3.64 0.71 0.00 0.61 -4.95 105.19 107.06 1ffg n GLY 52 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 -0.42 -0.09 1.61 2.19 -1.06 -4.45 117.98 115.34 1ffg s PHE 53 Ca 0.00 0.99 0.03 0.00 0.33 0.00 0.00 56.93 58.28 1ffg s PHE 53 Cb 0.00 0.38 0.01 0.00 -1.31 0.00 0.00 43.02 42.10 1ffg s PHE 53 CO 0.00 -0.20 -0.18 0.08 1.83 0.00 0.00 175.22 176.75 1ffg s VAL 54 N 0.30 1.59 -0.27 3.12 1.01 -0.47 -1.50 120.40 124.18 1ffg s VAL 54 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1ffg s VAL 54 Cb -0.05 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.97 1ffg s VAL 54 CO -0.08 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 174.76 1ffg s ILE 55 N 0.62 2.46 -0.06 2.22 1.01 -0.44 -0.30 121.20 126.71 1ffg s ILE 55 Ca -0.14 -1.49 0.05 0.00 0.00 0.00 0.00 60.65 59.07 1ffg s ILE 55 Cb -0.16 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1ffg s ILE 55 CO 0.04 -0.01 -0.22 -0.55 0.00 0.00 0.00 174.94 174.20 1ffg s SER 56 N 1.17 2.79 0.74 3.58 0.15 -0.44 -0.88 113.70 120.81 1ffg s SER 56 Ca -0.07 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 1ffg s SER 56 Cb -0.19 -0.82 0.04 0.00 -1.71 0.00 0.00 66.02 63.34 1ffg s SER 56 CO -0.04 0.21 1.12 -0.62 1.20 0.00 0.00 173.24 175.10 1ffg s ASP 57 N -0.05 4.56 -0.09 5.45 2.15 0.24 -0.60 116.67 128.33 1ffg s ASP 57 Ca -0.05 1.98 -0.09 0.00 0.43 0.00 0.00 52.55 54.82 1ffg s ASP 57 Cb -0.13 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.87 1ffg s ASP 57 CO 0.04 -2.00 0.31 -0.25 -0.17 0.00 0.00 175.17 173.10 1ffg h TRP 58 N -0.65 -0.10 -3.41 -5.34 2.91 -1.47 -3.25 115.95 104.64 1ffg h TRP 58 Ca -0.45 -0.00 -0.68 0.00 1.13 0.00 0.00 58.89 58.88 1ffg h TRP 58 Cb 1.25 0.03 -0.18 0.00 -0.51 0.00 0.00 29.16 29.75 1ffg h TRP 58 CO 0.55 0.12 -0.01 1.21 -1.03 0.00 0.00 178.44 179.27 1ffg s ASN 59 N -5.54 6.24 0.02 2.65 2.47 -1.26 -0.82 114.94 118.70 1ffg s ASN 59 Ca -0.05 -0.72 -0.06 0.00 0.42 0.00 0.00 52.86 52.44 1ffg s ASN 59 Cb -0.00 -2.28 -0.01 0.00 -1.45 0.00 0.00 41.25 37.52 1ffg s ASN 59 CO 0.19 -0.77 0.11 -0.04 -3.72 0.00 0.00 177.10 172.87 1ffg s MET 60 N 2.51 0.53 0.71 0.43 -1.94 -1.26 -4.72 119.30 115.56 1ffg s MET 60 Ca 0.16 -0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 1ffg s MET 60 Cb -0.18 0.21 0.02 0.00 2.01 0.00 0.00 34.83 36.89 1ffg s MET 60 CO 0.14 -0.13 1.07 -1.25 -0.01 0.00 0.00 175.02 174.84 1ffg s PRO 61 N -1.99 2.81 0.00 2.03 0.04 -1.26 -3.84 135.00 132.79 1ffg s PRO 61 Ca -0.10 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1ffg s PRO 61 Cb -0.05 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1ffg s PRO 61 CO -0.02 -1.14 0.00 0.09 0.04 0.00 0.00 177.00 175.98 1ffg n ASN 62 N -3.13 0.00 -3.62 6.66 3.02 -1.26 -4.44 115.26 112.49 1ffg n ASN 62 Ca 0.07 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.55 1ffg n ASN 62 Cb 0.55 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.36 0.92 3.52 1.75 -1.26 -4.95 119.30 119.64 1ffg s MET 63 Ca 0.00 1.04 -0.12 0.00 -1.25 0.00 0.00 55.69 55.36 1ffg s MET 63 Cb 0.00 0.33 0.20 0.00 2.84 0.00 0.00 34.83 38.20 1ffg s MET 63 CO 0.00 -0.28 1.25 0.16 -0.65 0.00 0.00 175.02 175.50 1ffg s ASP 64 N 2.64 3.26 0.21 1.11 1.47 -1.25 -1.45 116.67 122.66 1ffg s ASP 64 Ca -0.01 -0.01 -0.09 0.00 1.18 0.00 0.00 52.55 53.63 1ffg s ASP 64 Cb -0.12 -0.05 0.15 0.00 -0.34 0.00 0.00 42.92 42.56 1ffg s ASP 64 CO -0.14 -2.62 1.80 1.23 0.68 0.00 0.00 175.17 176.13 1ffg h GLY 65 N -1.42 1.18 0.96 2.12 0.00 -1.02 -1.21 103.07 103.69 1ffg h GLY 65 Ca -0.41 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.28 1ffg h GLY 65 CO 0.34 0.55 0.08 -2.00 0.00 0.00 0.00 176.54 175.52 1ffg h LEU 66 N 1.08 0.72 -0.66 3.11 5.85 -1.86 -0.35 115.31 123.20 1ffg h LEU 66 Ca 0.26 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ffg h LEU 66 Cb 0.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ffg h LEU 66 CO -0.03 0.79 0.33 -0.33 -0.34 0.00 0.00 178.44 178.86 1ffg h GLU 67 N 0.62 0.94 -0.57 1.25 5.08 -1.92 0.59 114.58 120.58 1ffg h GLU 67 Ca 0.14 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ffg h GLU 67 Cb 0.37 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ffg h GLU 67 CO 0.01 0.74 0.21 1.25 -1.00 0.00 0.00 179.01 180.22 1ffg h LEU 68 N 0.91 0.81 -0.12 1.33 5.85 -0.96 -0.34 115.31 122.79 1ffg h LEU 68 Ca 0.23 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ffg h LEU 68 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ffg h LEU 68 CO -0.03 0.77 0.07 0.25 -0.34 0.00 0.00 178.44 179.16 1ffg h LEU 69 N 0.79 0.15 -1.18 2.25 5.85 -0.58 0.16 115.31 122.75 1ffg h LEU 69 Ca 0.19 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1ffg h LEU 69 Cb 0.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1ffg h LEU 69 CO -0.01 0.17 0.08 0.11 -0.34 0.00 0.00 178.44 178.45 1ffg h LYS 70 N 0.11 0.66 -0.37 1.25 1.57 -0.80 0.33 116.57 119.32 1ffg h LYS 70 Ca 0.04 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1ffg h LYS 70 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ffg h LYS 70 CO -0.01 0.62 -0.36 1.15 -0.57 0.00 0.00 179.45 180.28 1ffg h THR 71 N 0.64 1.28 0.51 -0.16 2.02 -0.40 -1.36 112.91 115.43 1ffg h THR 71 Ca 0.14 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1ffg h THR 71 Cb 0.27 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1ffg h THR 71 CO 0.00 0.51 -0.26 0.40 0.37 0.00 0.00 175.52 176.54 1ffg h ILE 72 N 0.70 0.47 -0.37 3.11 1.08 -0.26 -2.71 117.51 119.53 1ffg h ILE 72 Ca 0.06 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.62 1ffg h ILE 72 Cb 0.95 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1ffg h ILE 72 CO 0.09 0.00 0.26 0.03 -0.69 0.00 0.00 178.15 177.84 1ffg h ARG 73 N -0.70 0.09 -0.00 2.37 2.47 -0.86 -1.54 114.38 116.20 1ffg h ARG 73 Ca -0.07 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1ffg h ARG 73 Cb 0.55 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1ffg h ARG 73 CO 0.10 0.06 -0.17 0.00 0.56 0.00 0.00 179.97 180.52 1ffg n ALA 74 N -2.58 2.88 -1.97 0.04 0.00 -0.52 -4.76 120.51 113.59 1ffg n ALA 74 Ca 0.06 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1ffg n ALA 74 Cb 0.39 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.53 5.76 -0.01 0.00 -1.08 -0.58 -5.05 116.67 113.18 1ffg s ASP 75 Ca 0.26 1.07 -0.00 0.00 -0.52 0.00 0.00 52.55 53.36 1ffg s ASP 75 Cb 0.20 -2.04 -0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1ffg s ASP 75 CO 0.50 -1.08 -0.00 1.23 0.52 0.00 0.00 175.17 176.34 1ffg h GLY 76 N -0.36 0.00 0.10 2.66 0.00 -1.91 -3.28 103.07 100.29 1ffg h GLY 76 Ca -0.45 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.95 1ffg h GLY 76 CO 0.62 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.93 1ffg h ALA 77 N -1.93 -0.09 -0.61 3.60 0.00 -1.97 -2.96 119.26 115.31 1ffg h ALA 77 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ffg h ALA 77 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ffg h ALA 77 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1ffg n MET 78 N -5.38 3.85 0.17 0.00 0.00 -1.26 -4.67 117.12 109.82 1ffg n MET 78 Ca -0.00 -2.78 0.19 0.00 0.00 0.00 0.00 57.70 55.10 1ffg n MET 78 Cb 0.29 -1.95 0.79 0.00 0.00 0.00 0.00 33.22 32.36 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 3.89 0.00 -0.49 3.17 4.64 -1.58 -2.35 113.55 120.85 1ffg h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ffg h SER 79 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1ffg h SER 79 CO 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1ffg n ALA 80 N -2.26 2.34 -1.66 5.18 0.00 -1.26 -4.45 120.51 118.40 1ffg n ALA 80 Ca 0.04 -1.13 -0.45 0.00 0.00 0.00 0.00 53.44 51.90 1ffg n ALA 80 Cb 0.48 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 1.24 2.97 -4.77 0.00 7.94 -0.88 -4.91 117.00 118.59 1ffg n LEU 81 Ca 0.18 1.14 -0.39 0.00 -1.11 0.00 0.00 56.01 55.84 1ffg n LEU 81 Cb 0.54 -1.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.08 1ffg n LEU 81 CO 0.13 -0.55 0.90 -2.84 -1.11 0.00 0.00 177.39 173.93 1ffg s PRO 82 N -0.35 3.92 -0.07 1.96 0.02 -1.26 -4.93 135.00 134.29 1ffg s PRO 82 Ca 0.69 2.00 -0.03 0.00 0.02 0.00 0.00 61.00 63.68 1ffg s PRO 82 Cb -0.67 -2.66 0.04 0.00 0.02 0.00 0.00 34.50 31.24 1ffg s PRO 82 CO 0.49 -0.48 0.12 0.08 -0.33 0.00 0.00 177.00 176.89 1ffg s VAL 83 N -1.35 -0.20 -0.30 3.83 1.01 -1.26 -1.37 120.40 120.77 1ffg s VAL 83 Ca 0.59 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.86 1ffg s VAL 83 Cb -0.34 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1ffg s VAL 83 CO 0.43 0.15 0.10 -0.22 0.00 0.00 0.00 175.10 175.56 1ffg s LEU 84 N 2.17 3.94 0.09 3.92 2.96 0.59 -0.68 118.68 131.67 1ffg s LEU 84 Ca 0.03 -0.73 -0.25 0.00 -0.22 0.00 0.00 54.13 52.96 1ffg s LEU 84 Cb -0.12 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1ffg s LEU 84 CO -0.05 -0.21 0.77 -0.04 -1.32 0.00 0.00 176.35 175.50 1ffg s MET 85 N 1.51 4.52 -0.16 1.98 -1.94 -0.51 -1.33 119.30 123.37 1ffg s MET 85 Ca 0.02 1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 55.06 1ffg s MET 85 Cb -0.17 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.30 1ffg s MET 85 CO 0.03 0.38 -0.00 0.08 -0.01 0.00 0.00 175.02 175.50 1ffg s VAL 86 N -0.41 4.23 0.13 -6.03 1.01 0.23 -0.98 120.40 118.57 1ffg s VAL 86 Ca 0.38 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1ffg s VAL 86 Cb -0.21 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ffg s VAL 86 CO 0.24 0.49 -0.13 0.28 0.00 0.00 0.00 175.10 175.99 1ffg s THR 87 N 0.24 1.30 -0.67 3.92 -1.32 -0.57 -1.12 115.64 117.42 1ffg s THR 87 Ca -0.00 -1.83 0.25 0.00 -1.21 0.00 0.00 61.69 58.90 1ffg s THR 87 Cb -0.13 -1.63 0.20 0.00 -1.51 0.00 0.00 72.50 69.43 1ffg s THR 87 CO 0.02 -0.52 1.59 0.00 -2.21 0.00 0.00 174.62 173.50 1ffg h ALA 88 N 3.26 0.84 -2.65 11.08 0.00 -1.88 -0.01 119.26 129.91 1ffg h ALA 88 Ca -0.39 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1ffg h ALA 88 Cb 1.20 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1ffg h ALA 88 CO 0.55 0.00 -0.04 -2.00 0.00 0.00 0.00 179.25 177.76 1ffg s GLU 89 N -3.14 1.03 -1.40 0.00 2.12 -1.26 -4.63 118.70 111.43 1ffg s GLU 89 Ca 0.09 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 54.84 1ffg s GLU 89 Cb 0.12 0.46 0.08 0.00 0.26 0.00 0.00 34.13 35.05 1ffg s GLU 89 CO 0.65 -0.39 2.28 0.00 -0.54 0.00 0.00 175.26 177.26 1ffg n ALA 90 N 0.11 6.18 -2.69 6.30 0.00 -1.26 -4.95 120.51 124.21 1ffg n ALA 90 Ca -0.17 -4.02 -0.42 0.00 0.00 0.00 0.00 53.44 48.82 1ffg n ALA 90 Cb 0.62 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.92 1ffg n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ffg s LYS 91 N 0.94 4.43 0.22 0.00 2.20 -1.26 -4.97 119.74 121.30 1ffg s LYS 91 Ca 0.50 1.37 -0.08 0.00 -0.36 0.00 0.00 55.97 57.40 1ffg s LYS 91 Cb 0.14 -3.54 0.31 0.00 -1.51 0.00 0.00 37.83 33.23 1ffg s LYS 91 CO -0.05 -0.29 1.76 1.57 -0.36 0.00 0.00 175.35 177.98 1ffg h LYS 92 N 7.08 0.47 0.00 4.03 2.10 -1.99 -1.46 116.57 126.79 1ffg h LYS 92 Ca -0.32 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.24 1ffg h LYS 92 Cb 1.15 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1ffg h LYS 92 CO 0.84 0.31 -0.32 1.05 -2.00 0.00 0.00 179.45 179.34 1ffg h GLU 93 N 0.48 0.00 0.03 0.07 9.09 -1.99 -0.10 114.58 122.17 1ffg h GLU 93 Ca 0.33 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.56 1ffg h GLU 93 Cb 0.38 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.50 1ffg h GLU 93 CO -0.29 0.32 -0.71 -0.91 0.05 0.00 0.00 179.01 177.47 1ffg h ASN 94 N 0.00 0.56 -0.38 3.06 -0.26 -1.82 -0.14 115.58 116.61 1ffg h ASN 94 Ca -0.00 -0.80 0.00 0.00 -0.56 0.00 0.00 56.30 54.94 1ffg h ASN 94 Cb 0.58 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1ffg h ASN 94 CO 0.04 1.30 0.24 0.40 -1.06 0.00 0.00 177.43 178.35 1ffg h ILE 95 N -0.10 1.11 -0.33 2.81 2.04 -1.15 0.54 117.51 122.42 1ffg h ILE 95 Ca -0.10 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1ffg h ILE 95 Cb 1.43 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1ffg h ILE 95 CO 0.14 0.10 0.13 0.40 0.00 0.00 0.00 178.15 178.92 1ffg h ILE 96 N 0.50 1.19 -0.64 -0.67 2.04 -1.05 -1.39 117.51 117.49 1ffg h ILE 96 Ca 0.14 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1ffg h ILE 96 Cb -0.04 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1ffg h ILE 96 CO -0.03 0.20 0.38 0.00 0.00 0.00 0.00 178.15 178.70 1ffg h ALA 97 N 0.97 0.81 -0.10 1.87 0.00 -0.54 0.27 119.26 122.54 1ffg h ALA 97 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ffg h ALA 97 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ffg h ALA 97 CO -0.01 0.29 0.04 0.00 0.00 0.00 0.00 179.25 179.58 1ffg h ALA 98 N 1.19 0.11 -0.12 0.00 0.00 0.35 -1.28 119.26 119.51 1ffg h ALA 98 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ffg h ALA 98 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ffg h ALA 98 CO -0.04 -0.41 0.05 0.00 0.00 0.00 0.00 179.25 178.85 1ffg h ALA 99 N 1.05 0.13 0.00 0.00 0.00 -0.90 -1.44 119.26 118.11 1ffg h ALA 99 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ffg h ALA 99 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ffg h ALA 99 CO -0.03 -0.40 -0.21 1.96 0.00 0.00 0.00 179.25 180.57 1ffg h GLN 100 N 0.12 0.00 -0.00 0.00 1.08 -0.85 -2.12 115.11 113.34 1ffg h GLN 100 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1ffg h GLN 100 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1ffg h GLN 100 CO -0.04 0.21 -0.04 0.00 -0.95 0.00 0.00 178.83 178.01 1ffg n ALA 101 N -2.42 2.58 -0.17 3.87 0.00 -0.49 -4.93 120.51 118.95 1ffg n ALA 101 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ffg n ALA 101 Cb 0.29 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.30 0.90 3.74 0.00 0.00 -0.79 -4.72 105.19 105.61 1ffg n GLY 102 Ca 0.14 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1ffg n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffg s ALA 103 N -2.00 2.40 -0.53 4.61 0.00 -0.58 -4.90 121.76 120.76 1ffg s ALA 103 Ca 0.00 1.12 0.24 0.00 0.00 0.00 0.00 51.96 53.32 1ffg s ALA 103 Cb 0.00 -3.51 0.50 0.00 0.00 0.00 0.00 23.12 20.11 1ffg s ALA 103 CO 0.00 -1.50 1.67 0.77 0.00 0.00 0.00 175.76 176.69 1ffg h SER 104 N 0.55 0.00 0.00 0.00 0.02 -1.25 -3.45 113.55 109.42 1ffg h SER 104 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ffg h SER 104 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1ffg h SER 104 CO 0.53 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1ffg n GLY 105 N 1.16 -2.00 3.15 -3.77 0.00 -1.21 -4.86 105.19 97.65 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 -2.11 0.52 -0.13 1.61 -0.85 -1.26 -1.43 117.35 113.70 1ffg s TYR 106 Ca 0.00 -0.99 -0.13 0.00 -0.52 0.00 0.00 57.07 55.43 1ffg s TYR 106 Cb 0.00 -0.32 0.04 0.00 0.38 0.00 0.00 41.96 42.06 1ffg s TYR 106 CO 0.00 -0.48 0.37 0.54 -1.52 0.00 0.00 175.55 174.46 1ffg s VAL 107 N -3.94 0.00 -0.13 -3.49 0.11 -0.15 -4.89 120.40 107.92 1ffg s VAL 107 Ca 0.12 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.98 1ffg s VAL 107 Cb 0.07 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1ffg s VAL 107 CO -0.06 -0.01 0.39 -0.69 -3.33 0.00 0.00 175.10 171.39 1ffg s VAL 108 N 0.11 5.23 0.18 2.04 1.01 -1.26 -1.50 120.40 126.21 1ffg s VAL 108 Ca -0.01 0.77 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1ffg s VAL 108 Cb -0.03 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1ffg s VAL 108 CO 0.01 0.38 0.41 -1.59 0.00 0.00 0.00 175.10 174.31 1ffg s LYS 109 N 0.39 3.60 0.41 2.72 -2.85 -0.02 -3.78 119.74 120.22 1ffg s LYS 109 Ca 0.22 -0.12 -0.23 0.00 -1.00 0.00 0.00 55.97 54.83 1ffg s LYS 109 Cb -0.14 -2.81 -0.09 0.00 -2.06 0.00 0.00 37.83 32.73 1ffg s LYS 109 CO 0.08 0.41 1.01 -1.25 0.10 0.00 0.00 175.35 175.69 1ffg s PRO 110 N -2.97 4.16 0.20 1.78 0.04 -1.26 -4.73 135.00 132.22 1ffg s PRO 110 Ca 0.41 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1ffg s PRO 110 Cb -0.12 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1ffg s PRO 110 CO 0.26 -0.12 -0.14 -0.59 0.04 0.00 0.00 177.00 176.45 1ffg s PHE 111 N -1.83 1.70 0.50 0.56 -0.12 -1.25 -5.16 117.98 112.39 1ffg s PHE 111 Ca 0.60 -0.57 0.07 0.00 -0.05 0.00 0.00 56.93 56.98 1ffg s PHE 111 Cb -0.18 -0.79 0.05 0.00 -0.63 0.00 0.00 43.02 41.47 1ffg s PHE 111 CO 0.22 0.35 0.69 0.95 -0.05 0.00 0.00 175.22 177.39 1ffg s THR 112 N -2.94 2.63 0.22 -4.49 -4.23 -1.26 -4.96 115.64 100.62 1ffg s THR 112 Ca 0.22 -0.94 -0.08 0.00 -1.18 0.00 0.00 61.69 59.71 1ffg s THR 112 Cb -0.01 -2.69 0.19 0.00 1.34 0.00 0.00 72.50 71.32 1ffg s THR 112 CO 0.07 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.02 1ffg h ALA 113 N 0.35 1.06 -0.67 3.99 0.00 -1.99 -0.46 119.26 121.54 1ffg h ALA 113 Ca -0.37 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1ffg h ALA 113 Cb 1.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ffg h ALA 113 CO 0.44 0.36 0.12 0.00 0.00 0.00 0.00 179.25 180.17 1ffg h ALA 114 N 1.33 0.89 -0.41 0.00 0.00 -1.98 0.11 119.26 119.21 1ffg h ALA 114 Ca 0.32 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ffg h ALA 114 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ffg h ALA 114 CO -0.11 0.65 -0.04 1.15 0.00 0.00 0.00 179.25 180.90 1ffg h THR 115 N 1.03 1.27 -0.43 0.00 2.02 -1.84 -1.88 112.91 113.08 1ffg h THR 115 Ca 0.21 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1ffg h THR 115 Cb 0.42 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1ffg h THR 115 CO 0.01 0.37 0.26 0.25 0.37 0.00 0.00 175.52 176.78 1ffg h LEU 116 N 0.59 0.43 -0.45 2.58 5.85 -0.75 -1.61 115.31 121.96 1ffg h LEU 116 Ca 0.11 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ffg h LEU 116 Cb 0.55 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1ffg h LEU 116 CO 0.03 0.31 0.25 -0.08 -0.34 0.00 0.00 178.44 178.61 1ffg h GLU 117 N 0.53 0.49 -0.64 1.25 4.81 -0.63 -0.67 114.58 119.72 1ffg h GLU 117 Ca 0.17 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1ffg h GLU 117 Cb -0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1ffg h GLU 117 CO -0.07 0.33 0.42 0.93 -0.73 0.00 0.00 179.01 179.89 1ffg h GLU 118 N 0.51 0.83 -0.51 1.92 5.08 -0.81 -0.84 114.58 120.75 1ffg h GLU 118 Ca 0.18 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1ffg h GLU 118 Cb 0.04 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ffg h GLU 118 CO -0.10 0.55 0.19 0.87 -1.00 0.00 0.00 179.01 179.52 1ffg h LYS 119 N 0.86 0.77 -0.43 2.33 1.79 -0.90 -2.37 116.57 118.62 1ffg h LYS 119 Ca 0.24 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 1ffg h LYS 119 Cb -0.09 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 1ffg h LYS 119 CO -0.05 0.69 0.06 -0.07 -1.08 0.00 0.00 179.45 178.99 1ffg h LEU 120 N 0.69 0.70 -0.67 2.94 4.07 -0.93 -2.66 115.31 119.44 1ffg h LEU 120 Ca 0.17 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1ffg h LEU 120 Cb 0.22 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1ffg h LEU 120 CO -0.01 0.79 0.36 0.78 -1.08 0.00 0.00 178.44 179.28 1ffg h ASN 121 N 0.58 0.85 -0.63 -0.43 2.35 -1.03 0.65 115.58 117.92 1ffg h ASN 121 Ca 0.13 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1ffg h ASN 121 Cb 0.40 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1ffg h ASN 121 CO 0.01 0.71 0.38 0.50 -1.65 0.00 0.00 177.43 177.39 1ffg h LYS 122 N 0.92 0.73 -0.45 0.81 1.63 -1.35 0.19 116.57 119.05 1ffg h LYS 122 Ca 0.23 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.92 1ffg h LYS 122 Cb 0.06 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1ffg h LYS 122 CO -0.04 0.49 0.01 0.82 -3.45 0.00 0.00 179.45 177.28 1ffg h ILE 123 N 0.76 1.26 -0.71 2.00 2.04 -1.04 0.40 117.51 122.22 1ffg h ILE 123 Ca 0.25 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1ffg h ILE 123 Cb 0.03 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1ffg h ILE 123 CO -0.11 0.36 0.46 -0.26 0.00 0.00 0.00 178.15 178.60 1ffg h PHE 124 N 0.64 0.87 0.08 1.37 0.05 -0.30 -0.47 116.94 119.17 1ffg h PHE 124 Ca 0.13 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.94 1ffg h PHE 124 Cb 0.49 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 38.14 1ffg h PHE 124 CO 0.04 0.52 -0.06 1.49 -0.18 0.00 0.00 178.31 180.12 1ffg h GLU 125 N 0.92 -0.14 -0.52 1.51 4.81 -0.15 0.29 114.58 121.30 1ffg h GLU 125 Ca 0.27 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1ffg h GLU 125 Cb -0.05 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1ffg h GLU 125 CO -0.08 -0.09 0.18 0.87 -0.73 0.00 0.00 179.01 179.16 1ffg h LYS 126 N -0.14 0.76 -0.02 1.92 1.57 -0.44 -2.68 116.57 117.54 1ffg h LYS 126 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1ffg h LYS 126 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ffg h LYS 126 CO -0.01 0.65 -0.03 1.28 -0.57 0.00 0.00 179.45 180.77 1ffg n LEU 127 N -4.32 1.99 -2.47 2.94 4.77 -0.23 -4.95 117.00 114.72 1ffg n LEU 127 Ca 0.04 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.26 1ffg n LEU 127 Cb 0.18 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1ffg n LEU 127 CO 0.39 0.33 0.05 0.61 -1.33 0.00 0.00 177.39 177.45 1ffg n GLY 128 N 1.25 -0.10 0.61 -0.72 0.00 0.19 -5.06 105.19 101.36 1ffg n GLY 128 Ca 0.17 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1ffg n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35