#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ffs s PHE 3 N 0.00 2.22 0.08 3.69 5.36 -0.99 -4.95 117.98 123.39 2ffs s PHE 3 Ca 0.00 -0.68 0.06 0.00 -0.96 0.00 0.00 56.93 55.35 2ffs s PHE 3 Cb 0.00 -1.47 -0.03 0.00 -0.34 0.00 0.00 43.02 41.18 2ffs s PHE 3 CO 0.00 -0.22 -0.15 -1.83 -1.46 0.00 0.00 175.22 171.56 2ffs s GLU 4 N -0.06 0.88 -0.22 10.12 4.04 -1.26 -0.70 118.70 131.51 2ffs s GLU 4 Ca -0.05 -1.01 -0.13 0.00 0.04 0.00 0.00 54.97 53.81 2ffs s GLU 4 Cb -0.13 -0.91 0.07 0.00 0.02 0.00 0.00 34.13 33.17 2ffs s GLU 4 CO 0.04 0.20 0.54 -1.58 -1.84 0.00 0.00 175.26 172.62 2ffs s HIS 5 N -1.36 -0.80 -0.20 4.83 5.04 -0.51 -4.99 115.29 117.30 2ffs s HIS 5 Ca 0.00 1.66 -0.04 0.00 -1.54 0.00 0.00 55.06 55.15 2ffs s HIS 5 Cb -0.09 0.41 -0.02 0.00 0.04 0.00 0.00 32.58 32.92 2ffs s HIS 5 CO 0.03 -0.41 -0.03 -1.17 -2.34 0.00 0.00 174.74 170.81 2ffs s LEU 6 N 1.35 3.02 -0.18 8.88 2.96 -1.26 -0.41 118.68 133.05 2ffs s LEU 6 Ca -0.08 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2ffs s LEU 6 Cb -0.06 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2ffs s LEU 6 CO -0.14 0.03 0.01 -0.69 -1.32 0.00 0.00 176.35 174.25 2ffs s VAL 7 N 1.17 4.28 -0.02 1.68 1.01 -0.11 -4.94 120.40 123.47 2ffs s VAL 7 Ca 0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2ffs s VAL 7 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2ffs s VAL 7 CO -0.00 0.46 1.09 -1.58 0.00 0.00 0.00 175.10 175.07 2ffs s GLN 8 N 0.54 4.46 -0.15 2.72 0.74 -1.26 -1.16 119.66 125.55 2ffs s GLN 8 Ca 0.00 1.56 -0.26 0.00 0.05 0.00 0.00 55.36 56.71 2ffs s GLN 8 Cb -0.14 -3.47 -0.25 0.00 1.10 0.00 0.00 33.01 30.26 2ffs s GLN 8 CO 0.02 -0.24 0.62 0.28 -0.55 0.00 0.00 175.29 175.42 2ffs h VAL 9 N 4.83 1.50 -2.82 1.34 2.07 -1.25 -3.48 116.25 118.44 2ffs h VAL 9 Ca -0.38 -2.32 -0.60 0.00 0.82 0.00 0.00 66.70 64.22 2ffs h VAL 9 Cb 1.19 3.04 -0.11 0.00 -1.52 0.00 0.00 31.29 33.89 2ffs h VAL 9 CO 0.81 0.55 -0.66 0.20 0.02 0.00 0.00 177.57 178.49 2ffs s ASN 10 N -6.49 4.75 0.29 0.57 0.01 -1.26 -4.93 114.94 107.87 2ffs s ASN 10 Ca -0.21 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.56 2ffs s ASN 10 Cb 0.00 -1.00 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 2ffs s ASN 10 CO 0.68 0.08 0.30 0.47 -1.51 0.00 0.00 177.10 177.12 2ffs n ASP 11 N -0.18 -0.78 -4.50 -1.22 10.43 -1.26 -4.88 116.55 114.15 2ffs n ASP 11 Ca -0.09 -2.84 -0.42 0.00 2.57 0.00 0.00 54.79 54.01 2ffs n ASP 11 Cb 0.55 1.68 -0.10 0.00 1.84 0.00 0.00 41.12 45.10 2ffs n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ffs s ARG 12 N -3.04 3.24 0.00 -1.24 1.04 -1.26 -5.06 118.95 112.63 2ffs s ARG 12 Ca 0.32 -0.75 0.00 0.00 -1.04 0.00 0.00 55.73 54.27 2ffs s ARG 12 Cb 0.01 -3.90 0.00 0.00 -2.04 0.00 0.00 34.95 29.02 2ffs s ARG 12 CO 0.23 -0.66 0.00 0.25 -0.04 0.00 0.00 175.30 175.08 2ffs n THR 13 N 5.23 0.00 -0.85 4.99 -2.24 -1.26 -5.27 114.28 114.87 2ffs n THR 13 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2ffs n THR 13 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2ffs n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ffs n LEU 17 N 0.00 -1.24 -4.75 3.22 4.77 -1.26 -5.15 117.00 112.59 2ffs n LEU 17 Ca 0.00 1.59 -0.41 0.00 -0.03 0.00 0.00 56.01 57.16 2ffs n LEU 17 Cb 0.00 -1.20 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 2ffs n LEU 17 CO 0.00 -0.14 0.98 -2.84 -1.33 0.00 0.00 177.39 174.06 2ffs s PRO 18 N -4.75 4.39 0.34 3.23 0.02 -1.26 -5.04 135.00 131.92 2ffs s PRO 18 Ca 0.00 2.08 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 2ffs s PRO 18 Cb 0.00 -3.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.30 2ffs s PRO 18 CO 0.00 -0.22 0.65 0.08 -0.33 0.00 0.00 177.00 177.19 2ffs s VAL 19 N -0.24 4.91 0.03 3.83 1.01 -1.26 -4.92 120.40 123.77 2ffs s VAL 19 Ca 0.54 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.88 2ffs s VAL 19 Cb -0.37 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2ffs s VAL 19 CO 0.42 -0.41 -0.13 -0.76 0.00 0.00 0.00 175.10 174.22 2ffs s LEU 20 N -3.68 2.16 0.49 3.92 1.43 -1.26 -4.61 118.68 117.13 2ffs s LEU 20 Ca 0.47 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2ffs s LEU 20 Cb -0.11 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.64 2ffs s LEU 20 CO 0.30 0.01 0.67 1.51 0.23 0.00 0.00 176.35 179.08 2ffs s ASP 21 N -1.08 5.37 0.19 2.29 -4.77 -1.26 -4.92 116.67 112.49 2ffs s ASP 21 Ca 0.00 -0.64 -0.12 0.00 -3.30 0.00 0.00 52.55 48.49 2ffs s ASP 21 Cb -0.08 -0.19 0.10 0.00 -1.09 0.00 0.00 42.92 41.66 2ffs s ASP 21 CO 0.01 -1.04 1.84 -0.09 0.70 0.00 0.00 175.17 176.59 2ffs h ARG 22 N 0.43 0.84 -0.09 2.11 9.65 -1.99 -1.65 114.38 123.68 2ffs h ARG 22 Ca -0.35 -0.07 -0.18 0.00 -1.10 0.00 0.00 59.98 58.28 2ffs h ARG 22 Cb 1.28 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2ffs h ARG 22 CO 0.43 0.58 -0.71 1.25 2.80 0.00 0.00 179.97 184.33 2ffs h LEU 23 N 0.85 0.49 -0.66 3.80 6.46 -1.95 -0.87 115.31 123.43 2ffs h LEU 23 Ca 0.23 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 2ffs h LEU 23 Cb -0.05 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.70 2ffs h LEU 23 CO -0.05 1.05 0.32 1.56 -0.62 0.00 0.00 178.44 180.71 2ffs h GLN 24 N 0.29 0.95 -0.49 1.25 4.20 -1.83 0.43 115.11 119.92 2ffs h GLN 24 Ca -0.03 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 2ffs h GLN 24 Cb 1.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 2ffs h GLN 24 CO 0.12 0.76 -0.03 1.25 -0.67 0.00 0.00 178.83 180.26 2ffs h LEU 25 N 0.92 0.87 -0.21 1.46 5.85 -1.11 0.49 115.31 123.56 2ffs h LEU 25 Ca 0.23 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2ffs h LEU 25 Cb 0.11 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2ffs h LEU 25 CO -0.03 0.98 -0.23 -0.25 -0.34 0.00 0.00 178.44 178.57 2ffs h TRP 26 N 0.73 -0.59 -0.81 1.25 2.91 -0.90 -0.88 115.95 117.65 2ffs h TRP 26 Ca 0.13 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.29 2ffs h TRP 26 Cb 0.55 0.29 -0.06 0.00 -0.51 0.00 0.00 29.16 29.44 2ffs h TRP 26 CO 0.04 -0.30 0.53 0.93 -1.03 0.00 0.00 178.44 178.61 2ffs h GLU 27 N -0.24 0.71 -0.46 2.65 5.08 0.79 0.11 114.58 123.22 2ffs h GLU 27 Ca 0.13 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2ffs h GLU 27 Cb 0.44 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2ffs h GLU 27 CO -0.36 0.47 0.10 0.78 -1.00 0.00 0.00 179.01 179.00 2ffs h GLY 28 N 0.73 0.56 1.50 -3.84 0.00 0.12 0.18 103.07 102.32 2ffs h GLY 28 Ca 0.38 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 2ffs h GLY 28 CO -0.15 -0.05 -0.32 1.41 0.00 0.00 0.00 176.54 177.43 2ffs h LEU 29 N 0.23 0.58 -0.42 3.11 4.07 0.32 -0.59 115.31 122.61 2ffs h LEU 29 Ca 0.23 -0.23 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2ffs h LEU 29 Cb 0.28 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 2ffs h LEU 29 CO -0.29 0.87 0.15 0.58 -1.08 0.00 0.00 178.44 178.67 2ffs h VAL 30 N 0.48 1.21 -0.61 1.22 2.07 -0.84 -2.28 116.25 117.49 2ffs h VAL 30 Ca 0.06 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.03 2ffs h VAL 30 Cb 0.80 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 2ffs h VAL 30 CO 0.07 0.23 0.21 0.00 0.02 0.00 0.00 177.57 178.10 2ffs h ARG 32 N 0.38 0.26 -0.03 0.00 2.43 -0.73 0.40 114.38 117.08 2ffs h ARG 32 Ca 0.31 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2ffs h ARG 32 Cb 0.41 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2ffs h ARG 32 CO -0.33 0.25 -0.59 0.00 -1.51 0.00 0.00 179.97 177.78 2ffs h ALA 33 N 1.79 0.11 0.00 2.80 0.00 -0.49 -3.34 119.26 120.13 2ffs h ALA 33 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ffs h ALA 33 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ffs h ALA 33 CO -0.00 0.38 -1.32 0.54 0.00 0.00 0.00 179.25 178.84 2ffs n ARG 34 N -4.21 0.56 -3.20 0.00 1.74 -0.06 -4.55 116.66 106.94 2ffs n ARG 34 Ca -0.10 -0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 2ffs n ARG 34 Cb 0.66 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 2ffs n ARG 34 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ffs n GLU 35 N -2.40 1.61 0.13 5.56 -0.58 0.14 -4.95 120.64 120.15 2ffs n GLU 35 Ca -0.01 -3.86 0.12 0.00 -0.42 0.00 0.00 57.16 52.99 2ffs n GLU 35 Cb 0.53 -1.75 0.50 0.00 -0.57 0.00 0.00 31.44 30.16 2ffs n GLU 35 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2ffs n PRO 36 N 0.70 0.18 0.27 3.49 -0.04 -1.25 -1.94 135.00 136.40 2ffs n PRO 36 Ca 0.26 0.46 0.18 0.00 -0.04 0.00 0.00 63.50 64.36 2ffs n PRO 36 Cb 0.52 -1.88 0.91 0.00 -0.04 0.00 0.00 33.50 33.01 2ffs n PRO 36 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2ffs h GLN 37 N 0.00 0.00 0.00 0.54 -0.00 -1.92 -0.23 115.11 113.51 2ffs h GLN 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2ffs h GLN 37 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2ffs h GLN 37 CO 0.00 0.00 -0.33 0.66 -0.00 0.00 0.00 178.83 179.16 2ffs n TYR 38 N -2.81 0.25 0.00 0.06 4.01 -0.82 -4.28 117.16 113.56 2ffs n TYR 38 Ca -0.02 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2ffs n TYR 38 Cb 0.12 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 2ffs n TYR 38 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ffs n PHE 39 N -1.74 0.00 -3.77 -0.72 3.01 -0.49 -4.97 117.46 108.79 2ffs n PHE 39 Ca 0.05 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.15 2ffs n PHE 39 Cb 0.37 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.73 2ffs n PHE 39 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2ffs s VAL 40 N -1.61 3.32 0.01 -4.37 1.01 -0.22 -4.98 120.40 113.57 2ffs s VAL 40 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 61.98 59.67 2ffs s VAL 40 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 2ffs s VAL 40 CO 0.00 -0.66 1.95 0.52 0.00 0.00 0.00 175.10 176.91 2ffs n VAL 41 N 4.61 0.71 0.00 2.92 0.31 -1.26 -2.79 118.33 122.83 2ffs n VAL 41 Ca -0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2ffs n VAL 41 Cb 0.41 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 2ffs n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ffs n GLY 42 N 4.50 1.77 3.54 2.92 0.00 -1.26 -5.05 105.19 111.61 2ffs n GLY 42 Ca 0.21 -0.12 -0.52 0.00 0.00 0.00 0.00 46.02 45.59 2ffs n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ffs n LEU 43 N 0.00 0.79 -0.09 0.99 7.94 -1.12 -4.33 117.00 121.18 2ffs n LEU 43 Ca 0.00 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 55.93 2ffs n LEU 43 Cb 0.00 -1.10 -0.12 0.00 0.53 0.00 0.00 43.42 42.72 2ffs n LEU 43 CO 0.00 -1.64 -1.12 -0.62 -1.11 0.00 0.00 177.39 172.90 2ffs n GLU 44 N 1.71 0.96 -3.75 1.96 1.02 0.12 -5.00 120.64 117.65 2ffs n GLU 44 Ca 0.17 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 2ffs n GLU 44 Cb 0.20 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 2ffs n GLU 44 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2ffs s ARG 45 N -2.43 1.47 0.10 3.49 1.70 -1.20 -5.03 118.95 117.05 2ffs s ARG 45 Ca -0.16 -0.78 -0.11 0.00 -0.47 0.00 0.00 55.73 54.21 2ffs s ARG 45 Cb 0.06 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.98 2ffs s ARG 45 CO 0.64 -0.67 0.27 -0.59 -1.08 0.00 0.00 175.30 173.87 2ffs s PHE 46 N -3.64 0.02 -0.00 5.89 -0.12 -1.26 -0.55 117.98 118.31 2ffs s PHE 46 Ca 0.10 -0.40 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2ffs s PHE 46 Cb -0.04 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 2ffs s PHE 46 CO 0.02 -0.60 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.25 2ffs s GLU 47 N -3.82 0.99 -0.58 1.99 0.41 -0.12 -4.99 118.70 112.58 2ffs s GLU 47 Ca 0.04 -0.49 -0.21 0.00 -0.41 0.00 0.00 54.97 53.90 2ffs s GLU 47 Cb 0.04 -0.96 0.07 0.00 -1.78 0.00 0.00 34.13 31.50 2ffs s GLU 47 CO -0.11 0.26 0.79 0.42 -0.49 0.00 0.00 175.26 176.13 2ffs s ILE 48 N -0.38 4.63 0.08 -1.63 -1.09 -1.26 -1.44 121.20 120.11 2ffs s ILE 48 Ca 0.04 -0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 57.85 2ffs s ILE 48 Cb -0.05 -4.50 -0.24 0.00 -1.58 0.00 0.00 42.46 36.08 2ffs s ILE 48 CO -0.00 -1.14 1.19 -0.07 -1.23 0.00 0.00 174.94 173.69 2ffs h LEU 49 N 10.45 0.79 -7.60 2.97 3.38 -1.57 -3.44 115.31 120.29 2ffs h LEU 49 Ca -0.28 -0.68 -0.40 0.00 0.09 0.00 0.00 57.88 56.61 2ffs h LEU 49 Cb 1.08 -0.25 -0.35 0.00 0.09 0.00 0.00 40.66 41.23 2ffs h LEU 49 CO 1.09 1.48 -0.76 -0.69 0.09 0.00 0.00 178.44 179.65 2ffs s VAL 50 N -3.16 0.36 -0.32 1.22 1.01 -1.00 -4.97 120.40 113.53 2ffs s VAL 50 Ca -0.08 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2ffs s VAL 50 Cb 0.07 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.09 2ffs s VAL 50 CO 0.91 0.21 0.06 -0.62 0.00 0.00 0.00 175.10 175.66 2ffs s ASP 51 N 1.33 4.42 -0.11 3.32 -1.08 -1.26 -1.10 116.67 122.18 2ffs s ASP 51 Ca -0.05 -1.87 0.18 0.00 -0.52 0.00 0.00 52.55 50.29 2ffs s ASP 51 Cb -0.13 -1.31 0.70 0.00 -1.46 0.00 0.00 42.92 40.71 2ffs s ASP 51 CO -0.02 -0.38 1.61 0.47 0.52 0.00 0.00 175.17 177.37 2ffs n ASP 52 N 4.51 4.65 0.00 -0.34 9.92 0.06 -5.01 116.55 130.34 2ffs n ASP 52 Ca 0.00 -2.45 0.00 0.00 -0.53 0.00 0.00 54.79 51.81 2ffs n ASP 52 Cb 0.42 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 2ffs n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ffs n GLY 53 N 1.03 2.03 0.37 0.44 0.00 -1.26 -4.12 105.19 103.68 2ffs n GLY 53 Ca 0.25 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2ffs n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ffs n ASP 54 N 4.14 1.14 -3.59 1.61 5.75 -1.26 -4.87 116.55 119.48 2ffs n ASP 54 Ca 0.00 -1.50 -0.14 0.00 -0.01 0.00 0.00 54.79 53.14 2ffs n ASP 54 Cb 0.00 -0.04 -0.12 0.00 -1.03 0.00 0.00 41.12 39.93 2ffs n ASP 54 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2ffs s ARG 55 N -1.92 0.19 0.01 0.11 3.52 -1.26 -0.05 118.95 119.55 2ffs s ARG 55 Ca 0.36 0.63 0.06 0.00 -0.13 0.00 0.00 55.73 56.65 2ffs s ARG 55 Cb 0.19 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2ffs s ARG 55 CO 0.29 -0.40 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.68 2ffs s LEU 56 N 2.43 2.09 -0.15 -0.88 1.43 0.24 -0.76 118.68 123.07 2ffs s LEU 56 Ca 0.04 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2ffs s LEU 56 Cb -0.13 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 2ffs s LEU 56 CO -0.10 0.20 -0.07 -1.00 0.23 0.00 0.00 176.35 175.61 2ffs s HIS 57 N -0.58 2.94 0.18 0.29 3.76 -0.26 0.15 115.29 121.76 2ffs s HIS 57 Ca 0.07 -0.49 0.05 0.00 -0.15 0.00 0.00 55.06 54.54 2ffs s HIS 57 Cb -0.08 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 2ffs s HIS 57 CO 0.00 -0.16 -0.10 -0.98 -0.85 0.00 0.00 174.74 172.65 2ffs s ARG 58 N 0.48 1.18 -0.11 1.40 1.70 0.15 -1.35 118.95 122.41 2ffs s ARG 58 Ca -0.06 -1.52 0.01 0.00 -0.47 0.00 0.00 55.73 53.70 2ffs s ARG 58 Cb -0.15 -0.77 0.02 0.00 -0.57 0.00 0.00 34.95 33.47 2ffs s ARG 58 CO 0.03 0.09 -0.14 0.50 -1.08 0.00 0.00 175.30 174.70 2ffs s ARG 59 N -3.73 2.10 -0.11 3.89 3.52 -0.52 -1.45 118.95 122.65 2ffs s ARG 59 Ca 0.20 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 2ffs s ARG 59 Cb 0.02 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 2ffs s ARG 59 CO 0.03 -0.09 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.85 2ffs s LEU 60 N 1.07 3.10 -0.45 -0.88 1.43 0.16 -0.95 118.68 122.17 2ffs s LEU 60 Ca -0.05 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2ffs s LEU 60 Cb -0.15 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.46 2ffs s LEU 60 CO -0.03 0.26 0.31 -0.31 0.23 0.00 0.00 176.35 176.81 2ffs s TYR 61 N -0.18 3.35 0.33 0.29 1.51 0.29 -1.16 117.35 121.78 2ffs s TYR 61 Ca 0.02 -1.55 0.07 0.00 -1.01 0.00 0.00 57.07 54.60 2ffs s TYR 61 Cb -0.13 -3.18 -0.02 0.00 -0.11 0.00 0.00 41.96 38.52 2ffs s TYR 61 CO 0.03 -0.89 0.39 -0.51 -1.11 0.00 0.00 175.55 173.45 2ffs s LEU 62 N 1.44 3.83 0.20 -1.29 1.43 0.29 0.11 118.68 124.70 2ffs s LEU 62 Ca 0.04 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 2ffs s LEU 62 Cb -0.24 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 2ffs s LEU 62 CO 0.02 -0.38 1.43 -2.16 0.23 0.00 0.00 176.35 175.49 2ffs s PRO 63 N -4.09 4.29 -1.51 1.29 0.04 -1.26 -1.44 135.00 132.32 2ffs s PRO 63 Ca 0.43 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2ffs s PRO 63 Cb -0.08 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2ffs s PRO 63 CO 0.29 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2ffs n GLY 64 N 2.75 1.00 3.61 0.56 0.00 -1.26 -4.94 105.19 106.90 2ffs n GLY 64 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 2ffs n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ffs s LEU 65 N -4.35 -1.03 -0.17 0.99 2.96 -0.52 -5.14 118.68 111.42 2ffs s LEU 65 Ca 0.00 1.50 -0.06 0.00 -0.22 0.00 0.00 54.13 55.35 2ffs s LEU 65 Cb 0.00 2.23 -0.04 0.00 0.50 0.00 0.00 46.19 48.88 2ffs s LEU 65 CO 0.00 -0.23 0.03 -0.69 -1.32 0.00 0.00 176.35 174.14 2ffs s VAL 66 N 2.51 4.50 -0.06 1.68 1.01 -1.26 -0.55 120.40 128.23 2ffs s VAL 66 Ca -0.07 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2ffs s VAL 66 Cb -0.10 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2ffs s VAL 66 CO -0.19 0.48 -0.24 -0.69 0.00 0.00 0.00 175.10 174.47 2ffs s VAL 67 N 0.25 1.96 -0.05 2.92 1.01 -0.31 -4.99 120.40 121.19 2ffs s VAL 67 Ca 0.02 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2ffs s VAL 67 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2ffs s VAL 67 CO 0.01 0.54 -0.19 -1.61 0.00 0.00 0.00 175.10 173.85 2ffs s GLU 68 N -0.05 2.45 0.28 2.72 2.02 -1.26 0.41 118.70 125.27 2ffs s GLU 68 Ca -0.06 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 2ffs s GLU 68 Cb -0.14 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2ffs s GLU 68 CO 0.04 0.54 0.50 0.16 0.02 0.00 0.00 175.26 176.53 2ffs s ASP 69 N -0.54 0.14 0.10 -0.19 1.47 -0.53 -4.75 116.67 112.38 2ffs s ASP 69 Ca 0.07 -1.08 0.08 0.00 1.18 0.00 0.00 52.55 52.81 2ffs s ASP 69 Cb -0.11 0.62 -0.04 0.00 -0.34 0.00 0.00 42.92 43.05 2ffs s ASP 69 CO 0.01 -1.22 -0.14 -1.83 0.68 0.00 0.00 175.17 172.67 2ffs s GLU 70 N -3.66 1.97 -0.06 2.11 1.03 -0.52 0.31 118.70 119.88 2ffs s GLU 70 Ca 0.24 -1.09 0.00 0.00 0.03 0.00 0.00 54.97 54.15 2ffs s GLU 70 Cb -0.01 -2.21 0.02 0.00 -0.80 0.00 0.00 34.13 31.13 2ffs s GLU 70 CO 0.12 0.50 -0.03 0.08 -1.33 0.00 0.00 175.26 174.59 2ffs s VAL 71 N -1.16 0.54 -0.19 1.83 1.01 0.12 -0.74 120.40 121.82 2ffs s VAL 71 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 2ffs s VAL 71 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2ffs s VAL 71 CO 0.11 0.25 0.00 -0.69 0.00 0.00 0.00 175.10 174.77 2ffs s VAL 72 N 1.34 4.07 -0.19 2.92 1.01 0.09 -0.60 120.40 129.04 2ffs s VAL 72 Ca -0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 2ffs s VAL 72 Cb -0.13 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2ffs s VAL 72 CO -0.02 0.45 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 2ffs s LEU 73 N 0.74 3.52 -0.52 3.92 1.43 0.93 -0.93 118.68 127.76 2ffs s LEU 73 Ca 0.00 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2ffs s LEU 73 Cb -0.14 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.33 2ffs s LEU 73 CO 0.02 0.12 0.29 -0.54 0.23 0.00 0.00 176.35 176.47 2ffs s LYS 74 N 0.67 2.12 0.27 1.70 1.02 0.50 -4.80 119.74 121.22 2ffs s LYS 74 Ca 0.01 -2.43 -0.29 0.00 0.02 0.00 0.00 55.97 53.28 2ffs s LYS 74 Cb -0.14 -3.47 -0.10 0.00 -0.52 0.00 0.00 37.83 33.61 2ffs s LYS 74 CO 0.02 -1.11 1.33 0.00 -0.92 0.00 0.00 175.35 174.67 2ffs s ALA 75 N 0.06 3.53 -0.80 5.17 0.00 -1.26 0.24 121.76 128.71 2ffs s ALA 75 Ca 0.15 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2ffs s ALA 75 Cb -0.23 -3.49 0.33 0.00 0.00 0.00 0.00 23.12 19.73 2ffs s ALA 75 CO -0.03 -0.62 1.39 -0.35 0.00 0.00 0.00 175.76 176.16 2ffs n PRO 76 N 1.68 4.29 0.00 0.00 -0.04 -1.26 -4.96 135.00 134.70 2ffs n PRO 76 Ca 0.03 -4.74 0.00 0.00 -0.04 0.00 0.00 63.50 58.76 2ffs n PRO 76 Cb 0.42 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2ffs n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ffs n ASP 77 N -0.17 2.45 -3.45 3.54 8.00 0.14 -4.88 116.55 122.18 2ffs n ASP 77 Ca 0.39 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.77 2ffs n ASP 77 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 2ffs n ASP 77 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ffs s SER 78 N -3.87 -0.56 -0.10 -2.24 1.04 -0.78 -0.11 113.70 107.08 2ffs s SER 78 Ca 0.00 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.59 2ffs s SER 78 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.69 2ffs s SER 78 CO 0.00 -0.86 -0.16 0.00 0.98 0.00 0.00 173.24 173.20 2ffs s ALA 79 N -3.18 1.68 -0.22 5.32 0.00 -1.26 -0.37 121.76 123.73 2ffs s ALA 79 Ca -0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2ffs s ALA 79 Cb -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.35 2ffs s ALA 79 CO -0.08 -0.00 -0.12 -1.01 0.00 0.00 0.00 175.76 174.55 2ffs s HIS 80 N 0.86 2.96 -0.14 0.00 3.76 -0.10 -4.39 115.29 118.23 2ffs s HIS 80 Ca -0.09 -1.59 -0.05 0.00 -0.15 0.00 0.00 55.06 53.18 2ffs s HIS 80 Cb -0.15 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 2ffs s HIS 80 CO 0.01 -0.75 0.03 0.71 -0.85 0.00 0.00 174.74 173.89 2ffs s TYR 81 N 1.31 3.22 -0.00 1.40 1.51 0.12 -0.74 117.35 124.17 2ffs s TYR 81 Ca 0.02 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.07 2ffs s TYR 81 Cb -0.15 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2ffs s TYR 81 CO -0.08 0.28 0.22 -1.54 -1.11 0.00 0.00 175.55 173.32 2ffs s SER 82 N -0.19 -0.07 -0.11 2.29 1.04 0.08 -0.58 113.70 116.17 2ffs s SER 82 Ca 0.06 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2ffs s SER 82 Cb -0.12 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2ffs s SER 82 CO 0.02 -0.41 -0.18 -0.63 0.98 0.00 0.00 173.24 173.02 2ffs s ILE 83 N -1.39 1.66 0.20 -1.02 1.01 -0.32 -1.43 121.20 119.91 2ffs s ILE 83 Ca -0.14 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 2ffs s ILE 83 Cb -0.06 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.83 2ffs s ILE 83 CO 0.03 0.47 0.99 -1.59 0.00 0.00 0.00 174.94 174.84 2ffs s LYS 84 N 0.83 4.75 0.54 2.79 0.00 -1.26 -1.97 119.74 125.41 2ffs s LYS 84 Ca -0.09 1.55 -0.10 0.00 0.00 0.00 0.00 55.97 57.33 2ffs s LYS 84 Cb -0.16 -3.30 -0.05 0.00 0.00 0.00 0.00 37.83 34.33 2ffs s LYS 84 CO 0.00 0.33 0.92 -1.25 0.00 0.00 0.00 175.35 175.35 2ffs s PRO 85 N -0.74 3.64 0.15 1.78 0.04 -1.26 -4.64 135.00 133.97 2ffs s PRO 85 Ca 0.44 0.57 0.02 0.00 0.04 0.00 0.00 61.00 62.07 2ffs s PRO 85 Cb -0.26 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 2ffs s PRO 85 CO 0.33 -0.37 0.08 -1.13 0.04 0.00 0.00 177.00 175.95 2ffs n SER 86 N -2.33 0.57 -0.27 6.66 3.41 -0.52 -4.87 113.62 116.28 2ffs n SER 86 Ca 0.04 -1.87 0.03 0.00 -0.26 0.00 0.00 58.87 56.81 2ffs n SER 86 Cb 0.54 0.50 0.17 0.00 -0.26 0.00 0.00 64.21 65.17 2ffs n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ffs h ALA 87 N 1.33 1.09 0.00 7.33 0.00 -2.03 -3.32 119.26 123.65 2ffs h ALA 87 Ca -0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ffs h ALA 87 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ffs h ALA 87 CO 0.18 -0.05 -0.87 -1.91 0.00 0.00 0.00 179.25 176.60 2ffs n GLU 88 N -4.86 2.13 -4.43 0.00 0.00 -1.26 -4.97 120.64 107.25 2ffs n GLU 88 Ca 0.13 -0.03 -0.31 0.00 0.00 0.00 0.00 57.16 56.95 2ffs n GLU 88 Cb 0.33 -0.99 -0.11 0.00 0.00 0.00 0.00 31.44 30.68 2ffs n GLU 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ffs s VAL 89 N -2.05 3.41 0.26 6.31 -7.23 -1.25 -5.11 120.40 114.74 2ffs s VAL 89 Ca -0.00 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.96 2ffs s VAL 89 Cb 0.04 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 2ffs s VAL 89 CO 0.23 0.30 0.78 0.00 -0.31 0.00 0.00 175.10 176.10 2ffs s ALA 90 N -1.05 3.35 0.42 1.32 0.00 -1.26 -1.44 121.76 123.09 2ffs s ALA 90 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2ffs s ALA 90 Cb -0.11 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.14 2ffs s ALA 90 CO 0.09 0.29 0.20 0.41 0.00 0.00 0.00 175.76 176.75 2ffs n GLY 91 N 0.50 0.88 0.00 0.00 0.00 0.30 -4.76 105.19 102.11 2ffs n GLY 91 Ca -0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2ffs n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ffs n GLY 92 N 3.42 -1.39 3.32 -0.02 0.00 -0.83 -2.19 105.19 107.49 2ffs n GLY 92 Ca 0.03 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 2ffs n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ffs s SER 93 N -3.78 -0.27 -0.07 1.61 1.04 -0.69 -1.17 113.70 110.37 2ffs s SER 93 Ca 0.00 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2ffs s SER 93 Cb 0.00 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.56 2ffs s SER 93 CO 0.00 -0.68 -0.07 -0.22 0.98 0.00 0.00 173.24 173.26 2ffs s LEU 94 N -2.07 1.26 0.00 2.42 2.96 0.25 -1.51 118.68 122.00 2ffs s LEU 94 Ca -0.05 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2ffs s LEU 94 Cb -0.01 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.05 2ffs s LEU 94 CO -0.03 -0.07 0.05 0.47 -1.32 0.00 0.00 176.35 175.45 2ffs n ASP 95 N 4.37 1.13 0.00 3.68 9.92 -0.46 0.16 116.55 135.36 2ffs n ASP 95 Ca -0.19 -1.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 2ffs n ASP 95 Cb 0.51 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 2ffs n ASP 95 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2ffs n THR 97 N -0.67 0.00 -2.84 -3.53 -1.04 -0.59 -0.46 114.28 105.15 2ffs n THR 97 Ca -0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2ffs n THR 97 Cb 0.07 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.53 2ffs n THR 97 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2ffs s ILE 98 N -0.05 4.60 -0.01 12.58 1.01 0.84 -1.51 121.20 138.65 2ffs s ILE 98 Ca 0.00 1.87 0.06 0.00 0.00 0.00 0.00 60.65 62.59 2ffs s ILE 98 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2ffs s ILE 98 CO 0.00 0.34 -0.21 -1.61 0.00 0.00 0.00 174.94 173.46 2ffs s GLU 99 N -0.05 1.69 -0.39 2.79 2.02 0.13 -4.96 118.70 119.93 2ffs s GLU 99 Ca 0.43 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.69 2ffs s GLU 99 Cb -0.22 -1.64 0.16 0.00 0.10 0.00 0.00 34.13 32.53 2ffs s GLU 99 CO 0.27 0.45 0.35 -2.00 0.02 0.00 0.00 175.26 174.35 2ffs s GLU 100 N -0.51 0.75 0.58 1.61 2.12 -1.26 -0.23 118.70 121.75 2ffs s GLU 100 Ca 0.08 -1.43 0.28 0.00 0.36 0.00 0.00 54.97 54.26 2ffs s GLU 100 Cb -0.08 -1.04 1.60 0.00 0.26 0.00 0.00 34.13 34.87 2ffs s GLU 100 CO -0.01 -1.28 2.06 -1.00 -0.54 0.00 0.00 175.26 174.50 2ffs h PRO 101 N 6.37 0.00 -2.12 4.30 0.13 -1.98 -3.44 132.00 135.25 2ffs h PRO 101 Ca 0.13 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2ffs h PRO 101 Cb 0.99 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.94 2ffs h PRO 101 CO 0.25 0.00 0.33 -1.21 -0.23 0.00 0.00 178.00 177.15 2ffs s GLU 102 N -4.68 0.95 0.28 0.86 2.02 -1.26 -5.06 118.70 111.80 2ffs s GLU 102 Ca -0.05 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.64 2ffs s GLU 102 Cb 0.16 0.44 -0.12 0.00 0.10 0.00 0.00 34.13 34.71 2ffs s GLU 102 CO 0.57 -0.34 1.59 -2.30 0.02 0.00 0.00 175.26 174.80 2ffs n PRO 103 N 0.43 2.65 0.00 0.39 -0.02 -1.26 -0.25 135.00 136.94 2ffs n PRO 103 Ca -0.15 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2ffs n PRO 103 Cb 0.60 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2ffs n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ffs n GLY 104 N 2.38 2.82 3.49 -1.23 0.00 -1.26 -4.96 105.19 106.42 2ffs n GLY 104 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2ffs n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ffs s SER 105 N -0.94 6.27 0.05 1.61 0.15 0.65 -4.78 113.70 116.71 2ffs s SER 105 Ca 0.00 -0.64 0.09 0.00 0.70 0.00 0.00 55.95 56.10 2ffs s SER 105 Cb 0.00 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2ffs s SER 105 CO 0.00 -1.21 -0.26 -0.76 1.20 0.00 0.00 173.24 172.21 2ffs s LEU 106 N 3.69 2.17 0.03 3.45 1.43 -1.26 -3.60 118.68 124.60 2ffs s LEU 106 Ca 0.25 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2ffs s LEU 106 Cb -0.15 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2ffs s LEU 106 CO 0.15 0.25 0.02 -0.36 0.23 0.00 0.00 176.35 176.64 2ffs s PHE 107 N -0.82 0.27 -0.16 0.29 0.40 0.68 -0.66 117.98 117.98 2ffs s PHE 107 Ca 0.11 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2ffs s PHE 107 Cb -0.10 -0.20 0.03 0.00 0.51 0.00 0.00 43.02 43.26 2ffs s PHE 107 CO 0.02 -0.28 -0.14 0.08 0.70 0.00 0.00 175.22 175.60 2ffs s VAL 108 N -2.22 1.59 -0.07 -0.44 1.01 -0.31 0.20 120.40 120.17 2ffs s VAL 108 Ca -0.09 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 2ffs s VAL 108 Cb -0.04 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2ffs s VAL 108 CO -0.03 0.42 0.88 -0.60 0.00 0.00 0.00 175.10 175.76 2ffs s ARG 109 N 1.47 4.45 -0.23 2.72 3.52 -0.57 -0.93 118.95 129.38 2ffs s ARG 109 Ca 0.04 1.18 -0.06 0.00 -0.13 0.00 0.00 55.73 56.76 2ffs s ARG 109 Cb -0.13 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 2ffs s ARG 109 CO -0.10 -0.12 0.03 -0.06 -0.81 0.00 0.00 175.30 174.23 2ffs s PHE 110 N 1.34 3.05 -0.13 5.12 0.40 0.46 -1.54 117.98 126.68 2ffs s PHE 110 Ca 0.45 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 2ffs s PHE 110 Cb -0.19 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2ffs s PHE 110 CO 0.20 -0.35 -0.20 0.00 0.70 0.00 0.00 175.22 175.57 2ffs s ALA 111 N 1.37 2.11 0.06 5.36 0.00 0.39 -1.42 121.76 129.63 2ffs s ALA 111 Ca 0.05 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2ffs s ALA 111 Cb -0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 2ffs s ALA 111 CO 0.02 -0.05 -0.14 0.71 0.00 0.00 0.00 175.76 176.29 2ffs s TYR 112 N 0.87 2.65 0.13 0.00 1.51 0.13 -1.35 117.35 121.29 2ffs s TYR 112 Ca -0.07 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.72 2ffs s TYR 112 Cb -0.15 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2ffs s TYR 112 CO -0.02 0.33 0.21 0.00 -1.11 0.00 0.00 175.55 174.96 2ffs s THR 114 N -3.95 1.26 0.09 0.00 2.01 -1.26 -1.71 115.64 112.08 2ffs s THR 114 Ca 0.15 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2ffs s THR 114 Cb 0.05 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2ffs s THR 114 CO -0.03 0.37 -0.20 0.00 -0.69 0.00 0.00 174.62 174.07 2ffs s ARG 115 N 0.18 1.11 0.37 4.92 1.70 -0.93 -4.90 118.95 121.40 2ffs s ARG 115 Ca -0.06 -1.12 0.08 0.00 -0.47 0.00 0.00 55.73 54.16 2ffs s ARG 115 Cb -0.12 -1.34 -0.04 0.00 -0.57 0.00 0.00 34.95 32.88 2ffs s ARG 115 CO 0.02 0.31 0.16 0.71 -1.08 0.00 0.00 175.30 175.42 2ffs s TYR 116 N -1.15 2.66 0.03 5.89 1.51 -1.26 -0.54 117.35 124.50 2ffs s TYR 116 Ca 0.06 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 2ffs s TYR 116 Cb -0.10 -1.77 -0.17 0.00 -0.11 0.00 0.00 41.96 39.82 2ffs s TYR 116 CO 0.04 0.27 1.29 1.37 -1.11 0.00 0.00 175.55 177.41 2ffs h LEU 117 N 1.49 -0.85 -9.93 -1.29 8.10 -1.89 -3.44 115.31 107.49 2ffs h LEU 117 Ca -0.43 0.01 -0.60 0.00 0.11 0.00 0.00 57.88 56.97 2ffs h LEU 117 Cb 1.25 0.22 -0.04 0.00 -0.44 0.00 0.00 40.66 41.66 2ffs h LEU 117 CO 0.65 -0.50 -0.46 -1.10 -4.11 0.00 0.00 178.44 172.91 2ffs s GLN 118 N -5.15 3.47 0.00 0.17 -1.52 -1.26 -5.17 119.66 110.20 2ffs s GLN 118 Ca -0.16 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 2ffs s GLN 118 Cb 0.02 -3.00 0.00 0.00 -0.22 0.00 0.00 33.01 29.81 2ffs s GLN 118 CO 0.50 0.57 0.00 -0.35 -0.25 0.00 0.00 175.29 175.76 2ffs n PRO 119 N 0.14 2.90 -1.95 2.91 -0.05 -1.26 -5.17 135.00 132.51 2ffs n PRO 119 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 2ffs n PRO 119 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.97 2ffs n PRO 119 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 2ffs n ASP 122 N 0.00 -5.99 -4.87 3.54 3.85 -1.26 -5.11 116.55 106.71 2ffs n ASP 122 Ca 0.00 1.32 -0.32 0.00 -0.71 0.00 0.00 54.79 55.08 2ffs n ASP 122 Cb 0.00 -3.92 -0.05 0.00 -1.35 0.00 0.00 41.12 35.80 2ffs n ASP 122 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2ffs s GLU 123 N -0.35 3.80 -0.19 0.11 0.41 -1.26 -5.10 118.70 116.12 2ffs s GLU 123 Ca 0.00 0.26 0.01 0.00 -0.41 0.00 0.00 54.97 54.83 2ffs s GLU 123 Cb 0.00 -2.70 0.04 0.00 -1.78 0.00 0.00 34.13 29.68 2ffs s GLU 123 CO 0.00 0.35 -0.13 -1.17 -0.49 0.00 0.00 175.26 173.82 2ffs s LEU 124 N -2.69 2.26 0.36 1.80 2.96 -1.26 -5.12 118.68 116.99 2ffs s LEU 124 Ca 0.45 -0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 53.37 2ffs s LEU 124 Cb -0.12 -1.31 -0.10 0.00 0.50 0.00 0.00 46.19 45.17 2ffs s LEU 124 CO 0.21 -0.10 0.81 -2.16 -1.32 0.00 0.00 176.35 173.79 2ffs s PRO 125 N 1.36 4.10 0.41 0.98 0.04 -1.26 -4.74 135.00 135.89 2ffs s PRO 125 Ca 0.00 0.84 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 2ffs s PRO 125 Cb -0.15 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 2ffs s PRO 125 CO -0.09 0.10 1.30 0.71 0.04 0.00 0.00 177.00 179.06 2ffs s TYR 126 N -2.03 2.79 0.95 0.56 4.12 -1.26 -5.07 117.35 117.41 2ffs s TYR 126 Ca 0.56 1.41 -0.15 0.00 0.02 0.00 0.00 57.07 58.91 2ffs s TYR 126 Cb -0.10 -3.67 0.17 0.00 -1.52 0.00 0.00 41.96 36.83 2ffs s TYR 126 CO 0.16 -2.12 1.22 0.16 0.02 0.00 0.00 175.55 174.99 2ffs s ASP 127 N -0.75 3.25 0.23 2.29 1.47 -1.26 -4.91 116.67 116.99 2ffs s ASP 127 Ca 0.58 0.58 0.12 0.00 1.18 0.00 0.00 52.55 55.01 2ffs s ASP 127 Cb -0.38 -0.87 0.05 0.00 -0.34 0.00 0.00 42.92 41.39 2ffs s ASP 127 CO 0.49 -2.67 1.43 0.00 0.68 0.00 0.00 175.17 175.09 2ffs h ALA 128 N -1.59 0.61 -0.93 2.11 0.00 -1.98 -1.69 119.26 115.79 2ffs h ALA 128 Ca -0.46 -0.62 0.12 0.00 0.00 0.00 0.00 54.91 53.94 2ffs h ALA 128 Cb 1.29 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2ffs h ALA 128 CO 0.49 0.86 0.60 0.74 0.00 0.00 0.00 179.25 181.93 2ffs h PHE 129 N 0.00 0.98 -0.08 0.00 -1.00 -1.98 0.51 116.94 115.37 2ffs h PHE 129 Ca -0.01 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.66 2ffs h PHE 129 Cb 1.46 -0.31 0.01 0.00 3.61 0.00 0.00 35.95 40.71 2ffs h PHE 129 CO 0.00 0.40 -0.50 0.28 -1.61 0.00 0.00 178.31 176.88 2ffs h VAL 130 N 0.86 1.38 -0.79 -0.55 2.07 -1.83 -2.15 116.25 115.25 2ffs h VAL 130 Ca 0.45 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 2ffs h VAL 130 Cb 0.53 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 2ffs h VAL 130 CO -0.22 0.55 0.38 0.11 0.02 0.00 0.00 177.57 178.41 2ffs h LYS 131 N 0.05 1.15 -0.62 1.57 1.57 -0.41 -0.76 116.57 119.11 2ffs h LYS 131 Ca -0.04 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2ffs h LYS 131 Cb 1.16 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2ffs h LYS 131 CO 0.10 0.89 0.15 0.37 -0.57 0.00 0.00 179.45 180.40 2ffs h GLN 132 N 1.13 0.98 0.00 3.15 4.15 -0.06 -0.76 115.11 123.70 2ffs h GLN 132 Ca 0.27 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 2ffs h GLN 132 Cb 0.13 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2ffs h GLN 132 CO -0.03 0.87 -0.52 0.00 -1.93 0.00 0.00 178.83 177.22 2ffs h ALA 133 N 1.22 1.11 -0.01 3.38 0.00 -0.63 -1.07 119.26 123.26 2ffs h ALA 133 Ca 0.20 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2ffs h ALA 133 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ffs h ALA 133 CO 0.00 0.65 -0.24 1.88 0.00 0.00 0.00 179.25 181.54 2ffs h TYR 134 N 0.00 0.27 -0.47 0.00 0.05 -0.31 -3.10 116.97 113.43 2ffs h TYR 134 Ca -0.01 -0.14 0.09 0.00 0.05 0.00 0.00 58.73 58.73 2ffs h TYR 134 Cb 0.94 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 38.55 2ffs h TYR 134 CO 0.00 0.91 -0.32 0.82 -1.05 0.00 0.00 178.16 178.53 2ffs h ILE 135 N -0.44 0.23 0.00 -2.88 5.03 -1.12 0.04 117.51 118.37 2ffs h ILE 135 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 2ffs h ILE 135 Cb 0.97 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 2ffs h ILE 135 CO 0.05 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.52 2ffs n ALA 136 N -3.04 0.71 0.00 1.87 0.00 -0.41 -1.95 120.51 117.69 2ffs n ALA 136 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ffs n ALA 136 Cb 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2ffs n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ffs n ASP 138 N 0.44 0.00 -0.12 0.00 8.00 0.00 -1.36 116.55 123.52 2ffs n ASP 138 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2ffs n ASP 138 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2ffs n ASP 138 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ffs h VAL 139 N 0.00 1.18 -0.33 2.53 2.07 -1.65 -1.84 116.25 118.21 2ffs h VAL 139 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2ffs h VAL 139 Cb 0.00 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2ffs h VAL 139 CO 0.00 0.19 0.16 -0.33 0.02 0.00 0.00 177.57 177.61 2ffs h GLU 140 N 0.44 0.45 -0.27 1.57 5.08 -1.47 -0.39 114.58 119.99 2ffs h GLU 140 Ca 0.12 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2ffs h GLU 140 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2ffs h GLU 140 CO -0.01 0.36 0.03 1.15 -1.00 0.00 0.00 179.01 179.53 2ffs h THR 141 N 0.46 1.24 -0.28 1.13 2.02 -1.69 -0.61 112.91 115.19 2ffs h THR 141 Ca 0.12 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 2ffs h THR 141 Cb 0.05 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2ffs h THR 141 CO -0.02 0.27 -0.19 0.40 0.37 0.00 0.00 175.52 176.35 2ffs h ILE 142 N 0.27 1.25 -0.19 3.11 1.08 -1.04 -1.89 117.51 120.09 2ffs h ILE 142 Ca 0.08 -1.16 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 2ffs h ILE 142 Cb 0.37 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 2ffs h ILE 142 CO 0.01 0.37 0.05 0.00 -0.69 0.00 0.00 178.15 177.89 2ffs h ALA 143 N 1.35 0.25 -0.44 1.87 0.00 -0.64 -0.91 119.26 120.75 2ffs h ALA 143 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ffs h ALA 143 Cb 0.59 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2ffs h ALA 143 CO 0.04 -0.11 0.21 1.15 0.00 0.00 0.00 179.25 180.54 2ffs h THR 144 N 0.13 0.96 0.14 0.00 2.02 -0.89 -0.36 112.91 114.90 2ffs h THR 144 Ca 0.06 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.10 2ffs h THR 144 Cb 0.26 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2ffs h THR 144 CO -0.00 0.08 -0.18 0.40 0.37 0.00 0.00 175.52 176.19 2ffs h ILE 145 N 0.43 0.59 -0.91 3.11 2.04 -1.17 0.14 117.51 121.74 2ffs h ILE 145 Ca 0.19 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.21 2ffs h ILE 145 Cb 0.10 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 2ffs h ILE 145 CO -0.14 0.00 0.59 -0.09 0.00 0.00 0.00 178.15 178.51 2ffs h ARG 146 N -0.37 0.66 0.07 2.37 2.43 -0.74 0.40 114.38 119.18 2ffs h ARG 146 Ca 0.01 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.87 2ffs h ARG 146 Cb 0.37 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2ffs h ARG 146 CO -0.07 0.43 -1.12 -0.44 -1.51 0.00 0.00 179.97 177.26 2ffs h ASP 147 N 0.68 0.73 1.34 -3.80 3.32 -0.01 -2.15 116.42 116.53 2ffs h ASP 147 Ca 0.47 -0.64 -0.11 0.00 0.02 0.00 0.00 57.03 56.76 2ffs h ASP 147 Cb 0.79 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2ffs h ASP 147 CO -0.22 1.45 -0.55 0.03 -1.72 0.00 0.00 179.24 178.23 2ffs h ARG 148 N 0.26 0.00 0.00 3.56 3.08 0.43 -3.34 114.38 118.38 2ffs h ARG 148 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ffs h ARG 148 Cb 1.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.84 2ffs h ARG 148 CO 0.21 0.55 0.00 1.19 -1.07 0.00 0.00 179.97 180.84 2ffs n PHE 149 N -3.28 0.00 0.17 3.04 3.01 0.13 -4.17 117.46 116.36 2ffs n PHE 149 Ca 0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.53 2ffs n PHE 149 Cb 0.73 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.38 2ffs n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2ffs h GLY 150 N 0.00 0.00 1.00 1.37 0.00 -1.48 -3.48 103.07 100.48 2ffs h GLY 150 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ffs h GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54