#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffs s ASP 3 N 0.00 6.43 0.02 0.00 3.68 -1.26 -4.86 116.67 120.68 1ffs s ASP 3 Ca 0.00 1.82 0.08 0.00 2.13 0.00 0.00 52.55 56.59 1ffs s ASP 3 Cb 0.00 -2.53 0.37 0.00 -1.45 0.00 0.00 42.92 39.31 1ffs s ASP 3 CO 0.00 -1.19 1.27 0.29 0.13 0.00 0.00 175.17 175.67 1ffs n LYS 4 N 7.54 0.01 -0.16 4.34 4.76 -1.26 -1.16 118.16 132.23 1ffs n LYS 4 Ca 0.19 0.39 0.12 0.00 -2.87 0.00 0.00 58.31 56.14 1ffs n LYS 4 Cb 0.44 -1.53 0.22 0.00 -1.84 0.00 0.00 35.03 32.32 1ffs n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ffs n GLU 5 N -1.56 2.42 -1.62 1.97 1.02 -1.26 -4.18 120.64 117.42 1ffs n GLU 5 Ca 0.02 -2.13 -0.50 0.00 -0.02 0.00 0.00 57.16 54.53 1ffs n GLU 5 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 1ffs n GLU 5 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ffs n LEU 6 N 1.36 2.18 -4.57 -4.62 7.94 -0.31 -4.82 117.00 114.17 1ffs n LEU 6 Ca 0.19 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.77 1ffs n LEU 6 Cb 0.58 -1.28 -0.06 0.00 0.53 0.00 0.00 43.42 43.19 1ffs n LEU 6 CO 0.16 -0.78 0.50 -0.75 -1.11 0.00 0.00 177.39 175.40 1ffs s LYS 7 N 0.58 3.62 0.20 1.96 2.20 -1.26 -4.49 119.74 122.55 1ffs s LYS 7 Ca 0.82 0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 56.47 1ffs s LYS 7 Cb -0.85 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 31.57 1ffs s LYS 7 CO 0.44 -0.88 0.44 -0.06 -0.36 0.00 0.00 175.35 174.92 1ffs s PHE 8 N 2.99 3.47 -0.16 4.03 0.40 0.15 -0.54 117.98 128.32 1ffs s PHE 8 Ca 0.28 0.55 0.02 0.00 -0.60 0.00 0.00 56.93 57.18 1ffs s PHE 8 Cb -0.13 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.40 1ffs s PHE 8 CO 0.18 0.34 -0.21 -1.17 0.70 0.00 0.00 175.22 175.06 1ffs s LEU 9 N -3.06 2.14 -0.24 -0.37 2.96 0.00 -1.34 118.68 118.78 1ffs s LEU 9 Ca 0.42 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1ffs s LEU 9 Cb -0.11 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1ffs s LEU 9 CO 0.27 0.04 0.04 -0.69 -1.32 0.00 0.00 176.35 174.69 1ffs s VAL 10 N 1.03 4.07 -0.16 1.68 1.01 0.12 -1.17 120.40 126.99 1ffs s VAL 10 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1ffs s VAL 10 Cb -0.14 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1ffs s VAL 10 CO -0.07 0.36 -0.14 -0.69 0.00 0.00 0.00 175.10 174.56 1ffs s VAL 11 N 1.58 2.74 -0.20 2.92 1.01 0.62 -0.96 120.40 128.11 1ffs s VAL 11 Ca 0.06 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1ffs s VAL 11 Cb -0.15 -2.16 0.12 0.00 0.00 0.00 0.00 36.38 34.19 1ffs s VAL 11 CO 0.02 0.51 0.97 -0.62 0.00 0.00 0.00 175.10 175.98 1ffs s ASP 12 N 0.82 -0.44 0.01 3.32 -1.08 -0.72 -0.71 116.67 117.86 1ffs s ASP 12 Ca -0.05 0.65 0.28 0.00 -0.52 0.00 0.00 52.55 52.91 1ffs s ASP 12 Cb -0.15 0.59 1.13 0.00 -1.46 0.00 0.00 42.92 43.03 1ffs s ASP 12 CO -0.00 -0.29 1.86 -0.90 0.52 0.00 0.00 175.17 176.36 1ffs n ASP 13 N 1.38 0.08 -4.37 -0.34 5.75 -1.22 -4.15 116.55 113.69 1ffs n ASP 13 Ca -0.12 0.41 -0.39 0.00 -0.01 0.00 0.00 54.79 54.67 1ffs n ASP 13 Cb 0.57 -0.41 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 1ffs n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1ffs s PHE 14 N -3.00 3.22 0.43 2.11 0.08 -1.26 -4.98 117.98 114.58 1ffs s PHE 14 Ca 0.14 -0.97 0.12 0.00 0.12 0.00 0.00 56.93 56.34 1ffs s PHE 14 Cb 0.19 -2.38 0.99 0.00 -0.57 0.00 0.00 43.02 41.25 1ffs s PHE 14 CO 0.55 -0.62 1.99 0.66 -0.10 0.00 0.00 175.22 177.70 1ffs h SER 15 N 8.36 0.40 -0.62 1.36 4.64 -1.99 -1.97 113.55 123.74 1ffs h SER 15 Ca -0.27 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ffs h SER 15 Cb 1.11 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 1ffs h SER 15 CO 0.64 0.25 0.38 0.74 -0.87 0.00 0.00 176.83 177.96 1ffs h THR 16 N 0.45 1.18 -0.22 2.95 2.02 -1.97 -0.22 112.91 117.09 1ffs h THR 16 Ca 0.27 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1ffs h THR 16 Cb 0.46 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1ffs h THR 16 CO -0.07 0.19 -0.23 -0.03 0.37 0.00 0.00 175.52 175.74 1ffs h MET 17 N 0.84 0.40 -0.39 6.66 -1.53 -1.80 -0.93 114.93 118.18 1ffs h MET 17 Ca 0.22 -0.14 -0.03 0.00 -3.44 0.00 0.00 59.70 56.32 1ffs h MET 17 Cb -0.03 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 30.97 1ffs h MET 17 CO -0.04 0.61 0.14 0.00 0.14 0.00 0.00 176.91 177.76 1ffs h ARG 18 N 0.36 0.60 -0.39 0.39 3.08 -0.60 -1.74 114.38 116.08 1ffs h ARG 18 Ca 0.06 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1ffs h ARG 18 Cb 0.60 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1ffs h ARG 18 CO 0.04 0.58 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.41 1ffs h ARG 19 N 0.48 0.64 -0.00 0.04 2.43 -0.66 -0.50 114.38 116.81 1ffs h ARG 19 Ca 0.13 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ffs h ARG 19 Cb 0.23 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1ffs h ARG 19 CO -0.01 0.68 0.00 0.82 -1.51 0.00 0.00 179.97 179.95 1ffs h ILE 20 N 0.60 1.10 -0.79 1.20 2.04 -0.69 -0.59 117.51 120.39 1ffs h ILE 20 Ca 0.12 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1ffs h ILE 20 Cb 0.43 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1ffs h ILE 20 CO 0.02 0.08 0.32 0.58 0.00 0.00 0.00 178.15 179.15 1ffs h VAL 21 N -0.13 1.26 -0.52 1.67 2.07 -1.10 0.78 116.25 120.29 1ffs h VAL 21 Ca 0.00 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1ffs h VAL 21 Cb 0.13 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1ffs h VAL 21 CO -0.00 0.33 0.18 -0.09 0.02 0.00 0.00 177.57 178.02 1ffs h ARG 22 N 1.15 0.79 -0.25 1.57 2.43 -0.97 -1.26 114.38 117.84 1ffs h ARG 22 Ca 0.27 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1ffs h ARG 22 Cb 0.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ffs h ARG 22 CO -0.02 0.72 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.03 1ffs h ASN 23 N 0.71 0.46 -0.04 -3.80 4.21 -0.32 -1.57 115.58 115.22 1ffs h ASN 23 Ca 0.17 -0.14 -0.10 0.00 1.21 0.00 0.00 56.30 57.44 1ffs h ASN 23 Cb 0.24 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 1ffs h ASN 23 CO -0.01 0.68 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.47 1ffs h LEU 24 N 0.42 0.47 -0.73 1.61 3.38 -0.44 -2.00 115.31 118.03 1ffs h LEU 24 Ca 0.07 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1ffs h LEU 24 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ffs h LEU 24 CO 0.04 0.74 -0.21 -0.07 0.09 0.00 0.00 178.44 179.02 1ffs h LEU 25 N 0.41 0.75 -0.96 1.67 3.38 -0.71 -2.44 115.31 117.42 1ffs h LEU 25 Ca 0.06 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1ffs h LEU 25 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1ffs h LEU 25 CO 0.05 0.95 -0.08 0.50 0.09 0.00 0.00 178.44 179.96 1ffs h LYS 26 N 0.65 0.67 0.00 1.13 3.64 -0.88 0.89 116.57 122.68 1ffs h LYS 26 Ca 0.09 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1ffs h LYS 26 Cb 0.71 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1ffs h LYS 26 CO 0.05 0.74 -0.19 0.93 -2.27 0.00 0.00 179.45 178.72 1ffs h GLU 27 N 0.62 0.00 -0.20 1.90 5.08 -0.89 -1.25 114.58 119.84 1ffs h GLU 27 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ffs h GLU 27 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ffs h GLU 27 CO 0.03 0.19 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 1ffs n LEU 28 N -4.14 1.75 0.00 1.33 4.77 -0.89 -4.92 117.00 114.89 1ffs n LEU 28 Ca -0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1ffs n LEU 28 Cb 0.26 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ffs n LEU 28 CO 0.35 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1ffs n GLY 29 N 1.13 0.65 3.48 -0.72 0.00 -0.47 -5.05 105.19 104.21 1ffs n GLY 29 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ffs n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffs s PHE 30 N -2.52 3.18 -1.05 1.61 0.08 0.26 -4.84 117.98 114.71 1ffs s PHE 30 Ca 0.00 -0.43 0.14 0.00 0.12 0.00 0.00 56.93 56.76 1ffs s PHE 30 Cb 0.00 -2.84 -0.06 0.00 -0.57 0.00 0.00 43.02 39.55 1ffs s PHE 30 CO 0.00 -0.68 0.71 0.09 -0.10 0.00 0.00 175.22 175.23 1ffs n ASN 31 N 5.51 1.16 -4.38 1.36 4.13 -1.26 -3.12 115.26 118.66 1ffs n ASN 31 Ca -0.08 -1.08 -0.45 0.00 1.68 0.00 0.00 54.58 54.64 1ffs n ASN 31 Cb 0.47 0.68 -0.01 0.00 -1.54 0.00 0.00 39.78 39.38 1ffs n ASN 31 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1ffs s ASN 32 N -1.96 7.03 -0.04 6.41 2.47 -1.26 -4.96 114.94 122.63 1ffs s ASN 32 Ca 0.09 -3.03 0.01 0.00 0.42 0.00 0.00 52.86 50.36 1ffs s ASN 32 Cb 0.11 -2.27 0.02 0.00 -1.45 0.00 0.00 41.25 37.65 1ffs s ASN 32 CO 0.44 -0.56 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.52 1ffs s VAL 33 N 0.21 0.58 0.37 -5.21 1.01 -1.26 -0.68 120.40 115.42 1ffs s VAL 33 Ca 0.30 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1ffs s VAL 33 Cb -0.08 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1ffs s VAL 33 CO -0.07 0.22 -0.04 -1.61 0.00 0.00 0.00 175.10 173.60 1ffs s GLU 34 N 0.69 1.85 0.17 2.72 0.41 -0.45 -4.97 118.70 119.13 1ffs s GLU 34 Ca -0.10 -2.00 0.08 0.00 -0.41 0.00 0.00 54.97 52.55 1ffs s GLU 34 Cb -0.13 -1.59 -0.04 0.00 -1.78 0.00 0.00 34.13 30.59 1ffs s GLU 34 CO 0.00 0.04 -0.16 -1.21 -0.49 0.00 0.00 175.26 173.44 1ffs s GLU 35 N -3.68 1.26 -0.01 1.61 2.02 -1.26 -0.70 118.70 117.93 1ffs s GLU 35 Ca 0.34 -1.45 -0.06 0.00 0.02 0.00 0.00 54.97 53.81 1ffs s GLU 35 Cb 0.06 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 33.11 1ffs s GLU 35 CO 0.17 0.22 0.13 0.00 0.02 0.00 0.00 175.26 175.80 1ffs s ALA 36 N -2.43 -0.32 -1.28 5.21 0.00 -0.13 -4.88 121.76 117.93 1ffs s ALA 36 Ca 0.17 0.01 0.25 0.00 0.00 0.00 0.00 51.96 52.40 1ffs s ALA 36 Cb -0.04 0.00 0.56 0.00 0.00 0.00 0.00 23.12 23.64 1ffs s ALA 36 CO 0.06 -0.17 1.44 -0.85 0.00 0.00 0.00 175.76 176.25 1ffs n GLU 37 N 1.92 0.32 -3.94 0.00 0.28 -1.26 -1.76 120.64 116.20 1ffs n GLU 37 Ca -0.20 -0.19 -0.01 0.00 -0.16 0.00 0.00 57.16 56.60 1ffs n GLU 37 Cb 0.57 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.96 1ffs n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1ffs s ASP 38 N -2.82 0.01 0.24 -1.84 3.84 -1.26 -3.40 116.67 111.45 1ffs s ASP 38 Ca 0.16 -0.51 -0.06 0.00 -0.00 0.00 0.00 52.55 52.14 1ffs s ASP 38 Cb 0.18 0.37 0.31 0.00 -1.38 0.00 0.00 42.92 42.40 1ffs s ASP 38 CO 0.64 -0.74 1.87 1.23 -0.00 0.00 0.00 175.17 178.17 1ffs h GLY 39 N 2.00 1.31 0.70 2.12 0.00 -1.49 0.29 103.07 108.01 1ffs h GLY 39 Ca -0.25 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1ffs h GLY 39 CO 0.35 0.32 -0.17 -2.08 0.00 0.00 0.00 176.54 174.95 1ffs h VAL 40 N 1.05 0.62 -0.98 4.60 2.07 -1.89 0.12 116.25 121.84 1ffs h VAL 40 Ca 0.37 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1ffs h VAL 40 Cb 0.09 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 1ffs h VAL 40 CO -0.15 0.09 0.60 -0.78 0.02 0.00 0.00 177.57 177.36 1ffs h ASP 41 N -0.78 0.85 0.18 0.57 3.58 -1.93 0.09 116.42 118.98 1ffs h ASP 41 Ca -0.05 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1ffs h ASP 41 Cb 0.52 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1ffs h ASP 41 CO 0.08 0.42 -0.08 0.00 -2.88 0.00 0.00 179.24 176.78 1ffs h ALA 42 N 1.55 -0.24 -0.86 -0.78 0.00 -0.05 -2.27 119.26 116.62 1ffs h ALA 42 Ca 0.50 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.38 1ffs h ALA 42 Cb 0.57 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1ffs h ALA 42 CO -0.29 -0.58 0.53 -0.07 0.00 0.00 0.00 179.25 178.84 1ffs h LEU 43 N -0.34 0.84 -0.08 0.00 3.38 -0.03 0.81 115.31 119.88 1ffs h LEU 43 Ca -0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ffs h LEU 43 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ffs h LEU 43 CO 0.04 0.54 -0.06 0.78 0.09 0.00 0.00 178.44 179.83 1ffs h ASN 44 N 0.97 -0.18 -0.70 -0.43 2.35 -0.91 -2.31 115.58 114.38 1ffs h ASN 44 Ca 0.37 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 56.09 1ffs h ASN 44 Cb 0.16 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1ffs h ASN 44 CO -0.17 -0.08 0.18 0.11 -1.65 0.00 0.00 177.43 175.82 1ffs h LYS 45 N -0.06 1.12 -0.22 0.81 1.57 -0.91 -2.42 116.57 116.46 1ffs h LYS 45 Ca 0.05 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1ffs h LYS 45 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ffs h LYS 45 CO -0.12 0.98 0.21 -0.07 -0.57 0.00 0.00 179.45 179.88 1ffs h LEU 46 N 1.06 0.00 -0.82 2.94 3.38 -0.31 -2.22 115.31 119.34 1ffs h LEU 46 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1ffs h LEU 46 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ffs h LEU 46 CO 0.00 0.00 0.05 1.56 0.09 0.00 0.00 178.44 180.14 1ffs h GLN 47 N 0.00 0.94 0.00 1.13 1.08 -1.02 -0.94 115.11 116.30 1ffs h GLN 47 Ca 0.10 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1ffs h GLN 47 Cb 0.52 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1ffs h GLN 47 CO -0.00 0.90 0.08 0.00 -0.95 0.00 0.00 178.83 178.86 1ffs n ALA 48 N -2.47 0.89 -1.06 3.87 0.00 -0.83 -4.91 120.51 116.00 1ffs n ALA 48 Ca 0.03 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1ffs n ALA 48 Cb 0.29 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1ffs n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffs n GLY 49 N -1.34 -1.92 0.56 0.00 0.00 -0.36 -4.94 105.19 97.18 1ffs n GLY 49 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1ffs n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffs n GLY 50 N -3.13 3.37 3.75 -0.02 0.00 -1.26 -4.99 105.19 102.91 1ffs n GLY 50 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ffs n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ffs s TYR 51 N -2.70 3.17 -0.24 1.61 2.02 -1.26 -4.51 117.35 115.43 1ffs s TYR 51 Ca 0.00 1.30 0.02 0.00 -0.37 0.00 0.00 57.07 58.02 1ffs s TYR 51 Cb 0.00 -3.64 0.01 0.00 -0.40 0.00 0.00 41.96 37.92 1ffs s TYR 51 CO 0.00 -1.89 0.41 0.41 -1.57 0.00 0.00 175.55 172.91 1ffs n GLY 52 N 1.65 -0.56 3.60 0.71 0.00 0.30 -4.95 105.19 105.95 1ffs n GLY 52 Ca 0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1ffs n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ffs s PHE 53 N -0.54 -0.57 -0.07 1.61 2.19 -1.05 -4.37 117.98 115.19 1ffs s PHE 53 Ca 0.02 1.24 0.02 0.00 0.33 0.00 0.00 56.93 58.54 1ffs s PHE 53 Cb 0.02 0.37 0.02 0.00 -1.31 0.00 0.00 43.02 42.11 1ffs s PHE 53 CO 0.05 -0.36 -0.11 0.08 1.83 0.00 0.00 175.22 176.71 1ffs s VAL 54 N -0.27 1.06 -0.19 3.12 1.01 -0.83 -0.82 120.40 123.48 1ffs s VAL 54 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ffs s VAL 54 Cb -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1ffs s VAL 54 CO 0.00 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 1ffs s ILE 55 N 0.79 2.42 -0.00 2.22 1.01 -0.32 -0.13 121.20 127.19 1ffs s ILE 55 Ca -0.12 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1ffs s ILE 55 Cb -0.15 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1ffs s ILE 55 CO 0.02 0.51 -0.12 -0.55 0.00 0.00 0.00 174.94 174.80 1ffs s SER 56 N 1.33 1.42 0.96 3.58 0.15 0.18 -0.28 113.70 121.03 1ffs s SER 56 Ca 0.05 -0.24 -0.13 0.00 0.70 0.00 0.00 55.95 56.33 1ffs s SER 56 Cb -0.13 -0.15 0.17 0.00 -1.71 0.00 0.00 66.02 64.20 1ffs s SER 56 CO -0.10 0.13 1.13 -0.62 1.20 0.00 0.00 173.24 174.98 1ffs s ASP 57 N -0.38 3.00 -0.05 5.45 2.15 0.11 -0.04 116.67 126.91 1ffs s ASP 57 Ca 0.04 0.98 -0.03 0.00 0.43 0.00 0.00 52.55 53.98 1ffs s ASP 57 Cb -0.05 -1.55 -0.01 0.00 -0.30 0.00 0.00 42.92 41.01 1ffs s ASP 57 CO -0.00 -2.88 -0.05 -0.25 -0.17 0.00 0.00 175.17 171.82 1ffs h TRP 58 N -1.72 0.00 -3.52 -5.34 2.91 -1.81 -3.27 115.95 103.20 1ffs h TRP 58 Ca -0.52 0.00 -0.61 0.00 1.13 0.00 0.00 58.89 58.90 1ffs h TRP 58 Cb 1.33 0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 29.87 1ffs h TRP 58 CO 0.09 0.00 0.41 -0.80 -1.03 0.00 0.00 178.44 177.11 1ffs s ASN 59 N -4.21 6.58 0.01 2.65 -0.87 -1.26 -0.54 114.94 117.29 1ffs s ASN 59 Ca -0.04 0.40 -0.05 0.00 -1.57 0.00 0.00 52.86 51.60 1ffs s ASN 59 Cb 0.01 -2.41 -0.00 0.00 -0.02 0.00 0.00 41.25 38.83 1ffs s ASN 59 CO 0.06 -0.74 0.09 -0.04 -2.57 0.00 0.00 177.10 173.90 1ffs s MET 60 N 3.14 0.43 0.78 -0.60 -1.94 -1.26 -4.72 119.30 115.13 1ffs s MET 60 Ca 0.32 -0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 1ffs s MET 60 Cb -0.13 0.17 0.06 0.00 2.01 0.00 0.00 34.83 36.94 1ffs s MET 60 CO 0.17 -0.10 1.10 -1.25 -0.01 0.00 0.00 175.02 174.93 1ffs s PRO 61 N -1.39 2.22 0.00 2.03 0.04 -1.26 -3.73 135.00 132.91 1ffs s PRO 61 Ca -0.15 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1ffs s PRO 61 Cb -0.08 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ffs s PRO 61 CO 0.01 -1.52 0.00 0.09 0.04 0.00 0.00 177.00 175.61 1ffs n ASN 62 N -3.37 0.00 -3.68 6.66 3.02 -1.26 -4.49 115.26 112.15 1ffs n ASN 62 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 1ffs n ASN 62 Cb 0.56 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.62 1ffs n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1ffs s MET 63 N 0.00 0.29 0.73 3.52 1.75 -1.26 -4.89 119.30 119.44 1ffs s MET 63 Ca 0.00 0.85 -0.08 0.00 -1.25 0.00 0.00 55.69 55.22 1ffs s MET 63 Cb 0.00 0.11 0.07 0.00 2.84 0.00 0.00 34.83 37.85 1ffs s MET 63 CO 0.00 -0.22 1.05 0.16 -0.65 0.00 0.00 175.02 175.36 1ffs s ASP 64 N 2.09 4.67 0.19 1.11 1.47 -1.24 -1.48 116.67 123.47 1ffs s ASP 64 Ca -0.04 0.46 -0.14 0.00 1.18 0.00 0.00 52.55 54.01 1ffs s ASP 64 Cb -0.11 -1.05 0.19 0.00 -0.34 0.00 0.00 42.92 41.61 1ffs s ASP 64 CO -0.11 -1.71 1.66 1.23 0.68 0.00 0.00 175.17 176.92 1ffs h GLY 65 N -0.71 0.45 1.05 2.12 0.00 -0.87 0.22 103.07 105.32 1ffs h GLY 65 Ca -0.44 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1ffs h GLY 65 CO 0.59 -0.18 0.16 -2.00 0.00 0.00 0.00 176.54 175.11 1ffs h LEU 66 N 0.05 1.01 -0.77 3.11 5.85 -1.83 -0.59 115.31 122.14 1ffs h LEU 66 Ca 0.26 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1ffs h LEU 66 Cb 0.39 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1ffs h LEU 66 CO -0.48 0.98 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.14 1ffs h GLU 67 N 0.99 0.80 -0.42 1.25 4.39 -1.83 -0.82 114.58 118.94 1ffs h GLU 67 Ca 0.21 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1ffs h GLU 67 Cb 0.37 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1ffs h GLU 67 CO 0.00 0.89 0.10 1.25 -1.16 0.00 0.00 179.01 180.10 1ffs h LEU 68 N 0.72 0.64 0.10 1.33 5.85 -0.61 0.15 115.31 123.50 1ffs h LEU 68 Ca 0.12 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1ffs h LEU 68 Cb 0.62 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ffs h LEU 68 CO 0.04 0.71 -0.07 0.25 -0.34 0.00 0.00 178.44 179.03 1ffs h LEU 69 N 0.55 -0.18 -1.13 2.25 5.85 -0.79 0.10 115.31 121.96 1ffs h LEU 69 Ca 0.13 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ffs h LEU 69 Cb 0.31 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1ffs h LEU 69 CO 0.00 -0.11 0.59 0.11 -0.34 0.00 0.00 178.44 178.69 1ffs h LYS 70 N -0.17 1.13 -0.27 1.25 1.57 -1.01 0.84 116.57 119.91 1ffs h LYS 70 Ca -0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1ffs h LYS 70 Cb 0.15 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1ffs h LYS 70 CO 0.00 0.75 0.07 1.15 -0.57 0.00 0.00 179.45 180.85 1ffs h THR 71 N 1.16 1.21 -0.25 -0.16 2.02 0.00 -0.13 112.91 116.76 1ffs h THR 71 Ca 0.34 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1ffs h THR 71 Cb -0.06 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1ffs h THR 71 CO -0.09 0.22 0.12 0.40 0.37 0.00 0.00 175.52 176.54 1ffs h ILE 72 N 0.26 1.15 0.00 3.11 2.04 -0.01 -2.58 117.51 121.48 1ffs h ILE 72 Ca 0.08 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1ffs h ILE 72 Cb 0.28 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ffs h ILE 72 CO 0.00 0.15 -0.10 0.03 0.00 0.00 0.00 178.15 178.23 1ffs h ARG 73 N 0.27 0.00 -0.00 2.37 2.47 -0.62 -2.25 114.38 116.62 1ffs h ARG 73 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1ffs h ARG 73 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1ffs h ARG 73 CO -0.01 0.10 -0.26 0.00 0.56 0.00 0.00 179.97 180.36 1ffs n ALA 74 N -2.48 3.03 -2.69 0.04 0.00 -0.08 -4.72 120.51 113.60 1ffs n ALA 74 Ca -0.03 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.73 1ffs n ALA 74 Cb 0.18 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 1ffs n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ffs s ASP 75 N -2.74 6.57 0.22 0.00 -1.08 -0.85 -5.01 116.67 113.78 1ffs s ASP 75 Ca 0.19 0.67 -0.07 0.00 -0.52 0.00 0.00 52.55 52.83 1ffs s ASP 75 Cb 0.19 -2.27 0.34 0.00 -1.46 0.00 0.00 42.92 39.72 1ffs s ASP 75 CO 0.57 -0.07 1.77 1.23 0.52 0.00 0.00 175.17 179.19 1ffs h GLY 76 N 7.36 1.04 2.00 2.66 0.00 -1.89 0.99 103.07 115.23 1ffs h GLY 76 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1ffs h GLY 76 CO 0.74 0.04 0.00 0.00 0.00 0.00 0.00 176.54 177.32 1ffs n ALA 77 N -2.42 2.01 -1.99 3.60 0.00 -1.26 -3.90 120.51 116.55 1ffs n ALA 77 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ffs n ALA 77 Cb 0.28 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ffs n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ffs n MET 78 N -1.73 0.00 0.33 0.00 0.00 -1.07 -4.90 117.12 109.76 1ffs n MET 78 Ca 0.05 -0.70 0.19 0.00 0.00 0.00 0.00 57.70 57.24 1ffs n MET 78 Cb 0.28 -0.35 1.03 0.00 0.00 0.00 0.00 33.22 34.19 1ffs n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1ffs h SER 79 N 0.00 0.00 -0.39 3.17 4.64 -0.87 -0.68 113.55 119.41 1ffs h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ffs h SER 79 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ffs h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ffs n ALA 80 N -1.99 2.35 -1.69 5.18 0.00 -1.26 -4.53 120.51 118.57 1ffs n ALA 80 Ca -0.03 -1.04 -0.42 0.00 0.00 0.00 0.00 53.44 51.95 1ffs n ALA 80 Cb 0.21 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1ffs n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ffs n LEU 81 N 1.14 4.02 -4.72 0.00 7.94 -0.26 -4.91 117.00 120.21 1ffs n LEU 81 Ca 0.17 0.99 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 1ffs n LEU 81 Cb 0.52 -1.54 -0.01 0.00 0.53 0.00 0.00 43.42 42.91 1ffs n LEU 81 CO 0.13 0.17 1.05 -2.65 -1.11 0.00 0.00 177.39 174.97 1ffs n PRO 82 N 5.57 2.37 -3.71 1.96 -0.02 -1.26 -4.92 135.00 134.99 1ffs n PRO 82 Ca 0.18 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 62.25 1ffs n PRO 82 Cb 0.37 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.17 1ffs n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ffs s VAL 83 N -0.69 0.23 -0.27 -1.45 1.01 -1.26 -1.96 120.40 116.01 1ffs s VAL 83 Ca 0.59 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 1ffs s VAL 83 Cb -0.54 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1ffs s VAL 83 CO 0.58 -0.01 0.15 -0.22 0.00 0.00 0.00 175.10 175.60 1ffs s LEU 84 N 2.01 3.81 -0.08 3.92 2.96 0.82 -1.04 118.68 131.08 1ffs s LEU 84 Ca 0.03 -0.08 -0.22 0.00 -0.22 0.00 0.00 54.13 53.64 1ffs s LEU 84 Cb -0.14 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1ffs s LEU 84 CO -0.06 -0.04 0.64 -0.04 -1.32 0.00 0.00 176.35 175.52 1ffs s MET 85 N 1.69 4.41 -0.16 1.98 -1.94 -0.64 -0.65 119.30 123.98 1ffs s MET 85 Ca 0.07 0.76 -0.06 0.00 -1.71 0.00 0.00 55.69 54.75 1ffs s MET 85 Cb -0.16 -3.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.20 1ffs s MET 85 CO 0.08 0.10 0.04 0.08 -0.01 0.00 0.00 175.02 175.31 1ffs s VAL 86 N 0.73 4.61 0.11 -6.03 1.01 0.94 -0.57 120.40 121.19 1ffs s VAL 86 Ca 0.34 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1ffs s VAL 86 Cb -0.17 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1ffs s VAL 86 CO 0.16 0.49 -0.09 0.28 0.00 0.00 0.00 175.10 175.94 1ffs s THR 87 N 0.18 0.93 -0.04 3.92 -1.32 0.05 -2.36 115.64 116.99 1ffs s THR 87 Ca 0.03 -1.77 0.16 0.00 -1.21 0.00 0.00 61.69 58.91 1ffs s THR 87 Cb -0.13 -1.50 0.09 0.00 -1.51 0.00 0.00 72.50 69.45 1ffs s THR 87 CO 0.01 -0.65 1.54 0.00 -2.21 0.00 0.00 174.62 173.31 1ffs h ALA 88 N 3.31 0.77 -2.25 11.08 0.00 -1.87 0.16 119.26 130.46 1ffs h ALA 88 Ca -0.37 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 1ffs h ALA 88 Cb 1.18 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.71 1ffs h ALA 88 CO 0.57 0.58 0.02 -1.83 0.00 0.00 0.00 179.25 178.59 1ffs s GLU 89 N -3.17 0.94 -0.89 0.00 -1.05 -1.26 -4.65 118.70 108.61 1ffs s GLU 89 Ca 0.03 0.03 -0.22 0.00 -0.15 0.00 0.00 54.97 54.66 1ffs s GLU 89 Cb 0.09 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 34.08 1ffs s GLU 89 CO 0.72 -0.29 1.93 0.00 0.95 0.00 0.00 175.26 178.57 1ffs n ALA 90 N 0.92 3.12 -2.62 -0.84 0.00 -1.26 -4.86 120.51 114.97 1ffs n ALA 90 Ca -0.20 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.53 1ffs n ALA 90 Cb 0.57 -3.60 -0.05 0.00 0.00 0.00 0.00 19.45 16.37 1ffs n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ffs s LYS 91 N 5.19 3.98 0.10 0.00 2.20 -1.26 -4.99 119.74 124.96 1ffs s LYS 91 Ca 0.59 0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 56.64 1ffs s LYS 91 Cb 0.11 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1ffs s LYS 91 CO 0.11 -0.68 1.12 1.17 -0.36 0.00 0.00 175.35 176.71 1ffs n LYS 92 N 6.22 -0.27 0.27 4.03 4.81 -1.26 -1.41 118.16 130.56 1ffs n LYS 92 Ca 0.04 1.10 0.13 0.00 -0.87 0.00 0.00 58.31 58.71 1ffs n LYS 92 Cb 0.48 -1.62 0.79 0.00 0.02 0.00 0.00 35.03 34.70 1ffs n LYS 92 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1ffs h GLU 93 N 0.00 0.00 0.22 1.64 9.09 -1.99 -2.12 114.58 121.42 1ffs h GLU 93 Ca 0.10 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.22 1ffs h GLU 93 Cb 0.25 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1ffs h GLU 93 CO -0.57 0.07 -1.27 -0.91 0.05 0.00 0.00 179.01 176.38 1ffs h ASN 94 N 0.00 0.74 0.50 3.06 -0.26 -1.64 -2.34 115.58 115.63 1ffs h ASN 94 Ca -0.00 -0.93 -0.02 0.00 -0.56 0.00 0.00 56.30 54.80 1ffs h ASN 94 Cb 0.18 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1ffs h ASN 94 CO 0.01 1.61 -0.32 0.40 -1.06 0.00 0.00 177.43 178.07 1ffs h ILE 95 N -0.00 0.34 -0.59 2.81 1.08 -0.93 0.81 117.51 121.02 1ffs h ILE 95 Ca -0.22 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.32 1ffs h ILE 95 Cb 2.00 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 36.03 1ffs h ILE 95 CO 0.24 0.00 0.28 0.40 -0.69 0.00 0.00 178.15 178.38 1ffs h ILE 96 N -0.79 0.89 -0.72 -0.67 2.04 -1.53 -0.14 117.51 116.59 1ffs h ILE 96 Ca -0.06 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1ffs h ILE 96 Cb 0.65 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1ffs h ILE 96 CO 0.05 0.09 0.39 0.00 0.00 0.00 0.00 178.15 178.68 1ffs h ALA 97 N 1.35 0.93 -0.46 1.87 0.00 -1.00 0.18 119.26 122.13 1ffs h ALA 97 Ca 0.28 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1ffs h ALA 97 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ffs h ALA 97 CO -0.22 0.45 -0.24 0.00 0.00 0.00 0.00 179.25 179.23 1ffs h ALA 98 N 1.20 0.65 0.36 0.00 0.00 -0.40 -0.95 119.26 120.12 1ffs h ALA 98 Ca 0.25 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ffs h ALA 98 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ffs h ALA 98 CO -0.04 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 1ffs h ALA 99 N 0.85 -0.48 -0.02 0.00 0.00 -0.70 -0.56 119.26 118.35 1ffs h ALA 99 Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ffs h ALA 99 Cb 0.82 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ffs h ALA 99 CO 0.07 -0.74 -0.13 1.96 0.00 0.00 0.00 179.25 180.41 1ffs h GLN 100 N -0.54 0.03 0.00 0.00 1.08 -0.95 -1.77 115.11 112.96 1ffs h GLN 100 Ca -0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ffs h GLN 100 Cb 0.41 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1ffs h GLN 100 CO 0.08 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.12 1ffs n ALA 101 N -2.51 2.45 -0.12 3.87 0.00 -0.36 -4.91 120.51 118.93 1ffs n ALA 101 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ffs n ALA 101 Cb 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1ffs n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffs n GLY 102 N 1.04 0.93 3.76 0.00 0.00 -0.66 -4.64 105.19 105.63 1ffs n GLY 102 Ca 0.16 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1ffs n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffs s ALA 103 N -2.00 3.08 -0.16 4.61 0.00 -0.25 -4.88 121.76 122.16 1ffs s ALA 103 Ca 0.00 1.33 0.29 0.00 0.00 0.00 0.00 51.96 53.57 1ffs s ALA 103 Cb 0.00 -3.54 0.87 0.00 0.00 0.00 0.00 23.12 20.45 1ffs s ALA 103 CO 0.00 -1.13 1.80 0.77 0.00 0.00 0.00 175.76 177.20 1ffs h SER 104 N 2.08 0.00 0.00 0.00 0.02 -1.43 -3.45 113.55 110.77 1ffs h SER 104 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ffs h SER 104 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1ffs h SER 104 CO 0.60 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 1ffs n GLY 105 N 0.55 -1.56 3.18 -3.77 0.00 -1.22 -4.89 105.19 97.48 1ffs n GLY 105 Ca 0.02 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1ffs n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ffs s TYR 106 N -2.37 0.02 -0.10 1.61 -0.85 -1.26 -1.63 117.35 112.78 1ffs s TYR 106 Ca 0.00 -0.20 -0.09 0.00 -0.52 0.00 0.00 57.07 56.26 1ffs s TYR 106 Cb 0.00 -0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.36 1ffs s TYR 106 CO 0.00 -0.41 0.27 0.54 -1.52 0.00 0.00 175.55 174.42 1ffs s VAL 107 N -2.33 -0.01 -0.21 -3.49 0.11 0.26 -4.92 120.40 109.82 1ffs s VAL 107 Ca -0.07 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.81 1ffs s VAL 107 Cb -0.02 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1ffs s VAL 107 CO -0.03 0.01 0.57 -0.69 -3.33 0.00 0.00 175.10 171.63 1ffs s VAL 108 N 0.32 5.06 0.37 2.04 1.01 -1.26 -0.77 120.40 127.16 1ffs s VAL 108 Ca -0.01 1.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1ffs s VAL 108 Cb -0.03 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 1ffs s VAL 108 CO -0.01 0.13 0.93 -1.59 0.00 0.00 0.00 175.10 174.57 1ffs s LYS 109 N 1.86 4.40 0.43 2.72 -2.85 0.57 -4.08 119.74 122.79 1ffs s LYS 109 Ca 0.26 1.20 -0.14 0.00 -1.00 0.00 0.00 55.97 56.29 1ffs s LYS 109 Cb -0.16 -2.51 -0.08 0.00 -2.06 0.00 0.00 37.83 33.03 1ffs s LYS 109 CO 0.10 0.14 0.84 -1.25 0.10 0.00 0.00 175.35 175.28 1ffs s PRO 110 N -2.59 3.89 0.08 1.78 0.04 -1.26 -4.72 135.00 132.22 1ffs s PRO 110 Ca 0.55 0.69 0.01 0.00 0.04 0.00 0.00 61.00 62.29 1ffs s PRO 110 Cb -0.14 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1ffs s PRO 110 CO 0.19 -0.07 -0.05 -0.59 0.04 0.00 0.00 177.00 176.51 1ffs s PHE 111 N -2.37 0.73 0.48 0.56 -0.12 -1.26 -5.17 117.98 110.83 1ffs s PHE 111 Ca 0.55 -0.95 0.03 0.00 -0.05 0.00 0.00 56.93 56.50 1ffs s PHE 111 Cb -0.10 -0.46 0.02 0.00 -0.63 0.00 0.00 43.02 41.85 1ffs s PHE 111 CO 0.28 -0.24 0.69 0.95 -0.05 0.00 0.00 175.22 176.85 1ffs s THR 112 N -3.62 3.19 0.33 -4.49 -4.23 -1.26 -4.97 115.64 100.59 1ffs s THR 112 Ca 0.09 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1ffs s THR 112 Cb 0.06 -3.16 0.17 0.00 1.34 0.00 0.00 72.50 70.91 1ffs s THR 112 CO -0.07 -0.10 1.89 0.00 -0.54 0.00 0.00 174.62 175.80 1ffs h ALA 113 N 0.33 1.38 -0.26 3.99 0.00 -1.99 -1.70 119.26 121.00 1ffs h ALA 113 Ca -0.43 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1ffs h ALA 113 Cb 1.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ffs h ALA 113 CO 0.52 0.44 0.16 0.00 0.00 0.00 0.00 179.25 180.37 1ffs h ALA 114 N 1.50 0.33 -0.62 0.00 0.00 -1.97 0.12 119.26 118.62 1ffs h ALA 114 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ffs h ALA 114 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ffs h ALA 114 CO 0.00 -0.23 0.29 1.15 0.00 0.00 0.00 179.25 180.46 1ffs h THR 115 N 0.32 1.22 -0.78 0.00 2.02 -1.88 -2.31 112.91 111.49 1ffs h THR 115 Ca 0.10 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1ffs h THR 115 Cb -0.01 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1ffs h THR 115 CO -0.04 0.26 0.51 0.25 0.37 0.00 0.00 175.52 176.86 1ffs h LEU 116 N 0.85 0.85 -0.83 2.58 5.85 -0.48 -1.48 115.31 122.65 1ffs h LEU 116 Ca 0.21 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ffs h LEU 116 Cb 0.14 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1ffs h LEU 116 CO -0.02 0.60 0.42 -0.08 -0.34 0.00 0.00 178.44 179.01 1ffs h GLU 117 N 1.00 1.18 -0.68 1.25 4.81 -0.62 -0.03 114.58 121.50 1ffs h GLU 117 Ca 0.31 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1ffs h GLU 117 Cb -0.03 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1ffs h GLU 117 CO -0.10 0.90 0.16 0.93 -0.73 0.00 0.00 179.01 180.17 1ffs h GLU 118 N 1.17 1.08 -0.23 1.92 5.08 -0.83 0.63 114.58 123.39 1ffs h GLU 118 Ca 0.29 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ffs h GLU 118 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ffs h GLU 118 CO -0.04 0.95 -0.12 0.87 -1.00 0.00 0.00 179.01 179.68 1ffs h LYS 119 N 1.02 0.49 0.02 2.33 1.79 -0.76 -2.83 116.57 118.63 1ffs h LYS 119 Ca 0.21 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ffs h LYS 119 Cb 0.37 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1ffs h LYS 119 CO 0.00 0.76 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.06 1ffs h LEU 120 N 0.20 -0.02 -0.68 2.94 4.07 -0.87 -2.64 115.31 118.31 1ffs h LEU 120 Ca 0.05 -0.17 0.10 0.00 0.08 0.00 0.00 57.88 57.94 1ffs h LEU 120 Cb 0.62 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.29 1ffs h LEU 120 CO 0.04 0.16 0.30 0.78 -1.08 0.00 0.00 178.44 178.63 1ffs h ASN 121 N -0.20 0.35 -0.66 -0.43 2.35 -0.92 0.17 115.58 116.24 1ffs h ASN 121 Ca -0.00 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1ffs h ASN 121 Cb 0.19 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1ffs h ASN 121 CO 0.00 0.19 0.27 0.50 -1.65 0.00 0.00 177.43 176.75 1ffs h LYS 122 N 0.51 0.99 -0.50 0.81 1.63 -1.45 0.15 116.57 118.71 1ffs h LYS 122 Ca 0.35 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1ffs h LYS 122 Cb 0.42 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1ffs h LYS 122 CO -0.30 0.82 0.01 0.82 -3.45 0.00 0.00 179.45 177.35 1ffs h ILE 123 N 0.94 1.26 -0.51 2.00 1.08 -0.85 -2.54 117.51 118.89 1ffs h ILE 123 Ca 0.22 -1.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 1ffs h ILE 123 Cb 0.20 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 1ffs h ILE 123 CO -0.02 0.37 0.28 -0.26 -0.69 0.00 0.00 178.15 177.84 1ffs h PHE 124 N 0.74 0.69 -0.43 1.37 0.05 -0.05 -1.67 116.94 117.65 1ffs h PHE 124 Ca 0.14 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.95 1ffs h PHE 124 Cb 0.50 -0.22 -0.04 0.00 2.00 0.00 0.00 35.95 38.20 1ffs h PHE 124 CO 0.04 0.51 0.22 0.93 -0.18 0.00 0.00 178.31 179.83 1ffs h GLU 125 N 0.68 0.43 -0.30 1.51 5.08 -0.59 0.13 114.58 121.52 1ffs h GLU 125 Ca 0.18 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1ffs h GLU 125 Cb 0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ffs h GLU 125 CO -0.03 0.29 -0.15 0.87 -1.00 0.00 0.00 179.01 178.99 1ffs h LYS 126 N 0.45 0.52 -0.63 2.33 1.57 -1.24 -2.88 116.57 116.69 1ffs h LYS 126 Ca 0.18 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ffs h LYS 126 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ffs h LYS 126 CO -0.12 0.66 0.00 1.28 -0.57 0.00 0.00 179.45 180.70 1ffs n LEU 127 N -4.18 3.38 -1.46 2.94 4.77 -0.65 -4.91 117.00 116.89 1ffs n LEU 127 Ca 0.00 -1.69 -0.17 0.00 -0.03 0.00 0.00 56.01 54.13 1ffs n LEU 127 Cb 0.34 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1ffs n LEU 127 CO 0.41 0.84 -0.18 0.61 -1.33 0.00 0.00 177.39 177.74 1ffs n GLY 128 N 1.50 1.15 0.35 -0.72 0.00 -0.43 -5.05 105.19 101.99 1ffs n GLY 128 Ca 0.21 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1ffs n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35