#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f2t n HIS 4 N 0.00 -2.36 -1.97 4.41 -0.00 -1.26 -4.98 115.22 109.06 2f2t n HIS 4 Ca 0.00 0.92 -0.34 0.00 -0.00 0.00 0.00 57.72 58.30 2f2t n HIS 4 Cb 0.00 -4.30 0.03 0.00 -0.00 0.00 0.00 29.99 25.71 2f2t n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f2t s HIS 5 N -3.37 2.67 0.28 4.41 0.09 -1.26 -4.99 115.29 113.12 2f2t s HIS 5 Ca 0.52 1.55 -0.30 0.00 -0.00 0.00 0.00 55.06 56.82 2f2t s HIS 5 Cb -0.25 -3.20 -0.12 0.00 -0.00 0.00 0.00 32.58 29.01 2f2t s HIS 5 CO 0.80 -1.60 1.59 1.58 -0.00 0.00 0.00 174.74 177.12 2f2t n HIS 6 N -1.95 2.76 -4.18 1.40 -0.00 -1.26 -5.00 115.22 106.99 2f2t n HIS 6 Ca 0.11 0.25 -0.34 0.00 -0.00 0.00 0.00 57.72 57.73 2f2t n HIS 6 Cb 0.52 -2.59 -0.15 0.00 -0.00 0.00 0.00 29.99 27.77 2f2t n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f2t s HIS 7 N 0.14 2.88 0.00 1.57 3.76 -1.26 -5.29 115.29 117.09 2f2t s HIS 7 Ca 0.66 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2f2t s HIS 7 Cb -0.52 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.18 2f2t s HIS 7 CO 0.47 -0.53 0.00 1.58 -0.85 0.00 0.00 174.74 175.41 2f2t n HIS 8 N 4.43 -0.10 -4.47 1.40 -0.00 -1.26 -5.26 115.22 109.97 2f2t n HIS 8 Ca -0.19 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.78 2f2t n HIS 8 Cb 0.51 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.24 2f2t n HIS 8 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2f2t s ARG 10 N -0.01 1.01 -0.03 1.57 0.52 -1.26 -5.05 118.95 115.69 2f2t s ARG 10 Ca 0.00 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2f2t s ARG 10 Cb 0.00 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.48 2f2t s ARG 10 CO 0.00 0.26 -0.06 0.15 0.02 0.00 0.00 175.30 175.67 2f2t s LYS 11 N -0.79 0.86 -0.13 3.54 1.02 -1.26 -4.48 119.74 118.50 2f2t s LYS 11 Ca 0.03 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 55.86 2f2t s LYS 11 Cb -0.07 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.43 2f2t s LYS 11 CO 0.01 0.01 -0.20 0.42 -0.92 0.00 0.00 175.35 174.66 2f2t s ILE 12 N 0.56 1.90 -0.03 2.17 1.01 -1.26 -0.71 121.20 124.84 2f2t s ILE 12 Ca -0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 2f2t s ILE 12 Cb -0.11 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2f2t s ILE 12 CO 0.00 0.52 1.12 -0.47 0.00 0.00 0.00 174.94 176.12 2f2t s TYR 13 N 0.88 3.40 -0.99 3.97 5.04 -0.40 -0.01 117.35 129.22 2f2t s TYR 13 Ca -0.07 1.40 -0.12 0.00 -2.44 0.00 0.00 57.07 55.85 2f2t s TYR 13 Cb -0.15 -3.32 0.24 0.00 0.35 0.00 0.00 41.96 39.08 2f2t s TYR 13 CO -0.02 -0.85 0.98 0.42 -1.34 0.00 0.00 175.55 174.74 2f2t s ILE 14 N 1.70 5.75 0.05 3.14 -1.09 0.13 -1.94 121.20 128.96 2f2t s ILE 14 Ca 0.54 -2.92 -0.21 0.00 -2.23 0.00 0.00 60.65 55.82 2f2t s ILE 14 Cb -0.24 -4.57 -0.06 0.00 -1.58 0.00 0.00 42.46 36.01 2f2t s ILE 14 CO 0.24 -1.15 0.64 0.00 -1.23 0.00 0.00 174.94 173.43 2f2t s ALA 15 N -0.39 3.50 0.00 9.38 0.00 -0.91 -4.43 121.76 128.91 2f2t s ALA 15 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2f2t s ALA 15 Cb -0.09 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2f2t s ALA 15 CO -0.08 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2f2t n GLY 16 N 2.07 3.52 0.14 0.00 0.00 -1.26 -0.61 105.19 109.06 2f2t n GLY 16 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2f2t n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f2t n PRO 17 N -1.26 0.98 0.14 1.61 -0.04 -1.26 -3.90 135.00 131.26 2f2t n PRO 17 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 2f2t n PRO 17 Cb 0.00 -1.14 0.70 0.00 -0.04 0.00 0.00 33.50 33.03 2f2t n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f2t h ALA 18 N 2.69 2.17 -0.27 0.55 0.00 -1.95 -0.78 119.26 121.67 2f2t h ALA 18 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2f2t h ALA 18 Cb 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2f2t h ALA 18 CO 0.00 -0.35 0.34 -0.24 0.00 0.00 0.00 179.25 179.00 2f2t h VAL 19 N 0.00 0.35 -0.02 0.00 3.04 -1.91 -0.60 116.25 117.12 2f2t h VAL 19 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 2f2t h VAL 19 Cb 0.55 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2f2t h VAL 19 CO -0.00 0.00 -0.10 0.49 -1.01 0.00 0.00 177.57 176.95 2f2t n PHE 20 N -3.63 0.00 -1.26 3.17 3.72 -0.30 -4.24 117.46 114.92 2f2t n PHE 20 Ca 0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.10 2f2t n PHE 20 Cb 0.48 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 39.10 2f2t n PHE 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2f2t n ASN 21 N 0.11 1.29 -0.11 4.37 3.02 -0.29 -4.88 115.26 118.76 2f2t n ASN 21 Ca 0.16 0.65 0.24 0.00 -0.03 0.00 0.00 54.58 55.60 2f2t n ASN 21 Cb 0.40 -1.52 0.69 0.00 -0.61 0.00 0.00 39.78 38.74 2f2t n ASN 21 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2f2t h PRO 22 N -0.55 0.04 0.00 3.52 0.11 -1.91 -3.36 132.00 129.85 2f2t h PRO 22 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2f2t h PRO 22 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2f2t h PRO 22 CO 0.48 0.02 -0.64 -0.40 -0.21 0.00 0.00 178.00 177.25 2f2t n ASP 23 N -4.34 1.84 0.00 -2.05 5.75 -1.26 -5.08 116.55 111.42 2f2t n ASP 23 Ca 0.15 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.49 2f2t n ASP 23 Cb 0.78 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2f2t n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f2t n GLY 25 N 1.58 0.00 0.32 6.12 0.00 -0.85 -4.77 105.19 107.58 2f2t n GLY 25 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 2f2t n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f2t h ALA 26 N 0.00 -0.02 -0.82 4.61 0.00 -1.94 0.20 119.26 121.29 2f2t h ALA 26 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2f2t h ALA 26 Cb 0.00 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2f2t h ALA 26 CO 0.00 -0.65 0.35 0.66 0.00 0.00 0.00 179.25 179.61 2f2t h SER 27 N -0.17 1.11 0.15 0.00 4.64 -1.97 0.11 113.55 117.42 2f2t h SER 27 Ca 0.22 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2f2t h SER 27 Cb 0.53 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2f2t h SER 27 CO -0.61 0.96 -0.07 0.22 -0.87 0.00 0.00 176.83 176.47 2f2t h TYR 28 N 1.18 -0.19 -0.57 4.77 3.20 -1.77 -2.82 116.97 120.77 2f2t h TYR 28 Ca 0.28 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 2f2t h TYR 28 Cb 0.19 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2f2t h TYR 28 CO 0.02 0.15 0.18 1.88 -1.64 0.00 0.00 178.16 178.75 2f2t h TYR 29 N -0.54 0.87 -0.74 -3.82 0.05 -0.48 -1.25 116.97 111.06 2f2t h TYR 29 Ca -0.02 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2f2t h TYR 29 Cb 0.42 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2f2t h TYR 29 CO 0.03 0.70 0.38 -0.91 -1.05 0.00 0.00 178.16 177.32 2f2t h ASN 30 N 0.84 0.94 -0.62 3.88 2.35 -0.82 0.21 115.58 122.35 2f2t h ASN 30 Ca 0.19 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2f2t h ASN 30 Cb 0.24 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2f2t h ASN 30 CO -0.01 0.78 0.20 0.11 -1.65 0.00 0.00 177.43 176.86 2f2t h LYS 31 N 1.02 0.97 -0.04 0.81 1.57 -1.18 -1.61 116.57 118.10 2f2t h LYS 31 Ca 0.26 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2f2t h LYS 31 Cb 0.07 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2f2t h LYS 31 CO -0.04 0.85 0.03 0.28 -0.57 0.00 0.00 179.45 180.00 2f2t h VAL 32 N 0.89 1.03 -0.62 0.50 2.07 -0.90 -1.96 116.25 117.25 2f2t h VAL 32 Ca 0.20 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2f2t h VAL 32 Cb 0.28 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2f2t h VAL 32 CO -0.01 0.03 0.34 0.03 0.02 0.00 0.00 177.57 177.98 2f2t h ARG 33 N 0.04 0.62 -0.45 1.57 3.08 -0.41 -1.18 114.38 117.65 2f2t h ARG 33 Ca 0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2f2t h ARG 33 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2f2t h ARG 33 CO -0.00 0.41 0.09 1.49 -1.07 0.00 0.00 179.97 180.88 2f2t h GLU 34 N 0.64 0.73 -0.36 0.04 4.81 -1.21 -0.88 114.58 118.35 2f2t h GLU 34 Ca 0.28 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2f2t h GLU 34 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2f2t h GLU 34 CO -0.17 0.75 0.06 1.25 -0.73 0.00 0.00 179.01 180.16 2f2t h LEU 35 N 0.60 0.57 -0.40 1.64 5.85 -1.01 -3.17 115.31 119.40 2f2t h LEU 35 Ca 0.14 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.42 2f2t h LEU 35 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2f2t h LEU 35 CO 0.01 0.69 -0.77 -0.07 -0.34 0.00 0.00 178.44 177.96 2f2t h LEU 36 N 0.44 0.36 -0.95 2.25 4.07 -1.21 -3.22 115.31 117.04 2f2t h LEU 36 Ca 0.11 -0.25 0.14 0.00 0.08 0.00 0.00 57.88 57.95 2f2t h LEU 36 Cb 0.36 -0.11 -0.09 0.00 1.08 0.00 0.00 40.66 41.90 2f2t h LEU 36 CO 0.01 1.00 0.57 0.50 -1.08 0.00 0.00 178.44 179.44 2f2t h LYS 37 N 0.19 0.83 0.00 1.13 1.63 -1.13 -1.08 116.57 118.14 2f2t h LYS 37 Ca -0.03 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2f2t h LYS 37 Cb 1.35 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2f2t h LYS 37 CO 0.12 0.55 -0.04 0.87 -3.45 0.00 0.00 179.45 177.51 2f2t h LYS 38 N 0.85 0.00 -0.39 1.90 1.57 -1.56 -2.51 116.57 116.44 2f2t h LYS 38 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2f2t h LYS 38 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2f2t h LYS 38 CO -0.31 0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.00 2f2t n GLU 39 N -4.00 2.92 -3.15 3.15 -0.58 -0.49 -4.97 120.64 113.52 2f2t n GLU 39 Ca -0.03 -2.26 -0.23 0.00 -0.42 0.00 0.00 57.16 54.22 2f2t n GLU 39 Cb 0.12 -1.41 0.03 0.00 -0.57 0.00 0.00 31.44 29.61 2f2t n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f2t n ASN 40 N 0.50 -5.59 0.00 1.62 5.15 -0.95 -5.01 115.26 110.99 2f2t n ASN 40 Ca 0.15 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2f2t n ASN 40 Cb 0.53 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 2f2t n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2f2t n VAL 41 N -4.42 0.00 -3.93 3.44 0.31 -0.70 -4.24 118.33 108.79 2f2t n VAL 41 Ca -0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 2f2t n VAL 41 Cb 0.60 -0.03 -0.16 0.00 -0.91 0.00 0.00 33.84 33.34 2f2t n VAL 41 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2f2t s PRO 43 N 3.53 0.25 -0.43 5.55 0.04 -1.26 -4.09 135.00 138.58 2f2t s PRO 43 Ca 0.00 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 60.96 2f2t s PRO 43 Cb 0.00 -0.39 0.06 0.00 0.04 0.00 0.00 34.50 34.21 2f2t s PRO 43 CO 0.00 -0.09 0.31 -0.51 0.04 0.00 0.00 177.00 176.75 2f2t s LEU 44 N 0.77 5.26 -0.17 -3.56 1.43 0.98 -4.90 118.68 118.49 2f2t s LEU 44 Ca -0.08 -1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 51.69 2f2t s LEU 44 Cb -0.11 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2f2t s LEU 44 CO -0.01 -0.55 0.01 -0.63 0.23 0.00 0.00 176.35 175.40 2f2t s ILE 45 N 1.56 4.26 0.53 -0.59 1.01 -1.26 -0.69 121.20 126.02 2f2t s ILE 45 Ca 0.03 -0.22 0.34 0.00 0.00 0.00 0.00 60.65 60.80 2f2t s ILE 45 Cb -0.22 -2.90 0.52 0.00 0.01 0.00 0.00 42.46 39.87 2f2t s ILE 45 CO 0.05 0.47 1.83 -0.65 0.00 0.00 0.00 174.94 176.64 2f2t h PRO 46 N 6.81 0.03 -0.02 2.79 0.11 -1.98 -1.27 132.00 138.46 2f2t h PRO 46 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2f2t h PRO 46 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2f2t h PRO 46 CO 0.65 0.02 -0.12 0.25 -0.21 0.00 0.00 178.00 178.59 2f2t n THR 47 N -4.24 0.00 -2.03 -1.15 -2.24 -1.26 -4.90 114.28 98.46 2f2t n THR 47 Ca 0.23 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 2f2t n THR 47 Cb 1.13 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 70.40 2f2t n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2f2t s ASP 48 N -2.15 6.68 -1.47 3.42 1.11 -0.48 -2.83 116.67 120.95 2f2t s ASP 48 Ca 0.28 2.58 -0.03 0.00 0.18 0.00 0.00 52.55 55.57 2f2t s ASP 48 Cb 0.20 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.60 2f2t s ASP 48 CO 0.39 -0.72 0.40 0.59 1.18 0.00 0.00 175.17 177.01 2f2t n ASN 49 N 3.08 -0.50 -4.70 0.27 4.13 -1.26 -4.81 115.26 111.47 2f2t n ASN 49 Ca 0.09 -1.05 -0.42 0.00 1.68 0.00 0.00 54.58 54.88 2f2t n ASN 49 Cb 0.40 -2.79 -0.03 0.00 -1.54 0.00 0.00 39.78 35.83 2f2t n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2f2t s GLU 50 N -6.73 4.21 0.97 3.52 2.12 -1.13 -5.01 118.70 116.65 2f2t s GLU 50 Ca 0.10 2.33 -0.15 0.00 0.36 0.00 0.00 54.97 57.61 2f2t s GLU 50 Cb -0.05 -3.43 0.18 0.00 0.26 0.00 0.00 34.13 31.08 2f2t s GLU 50 CO 0.91 -0.68 1.22 0.00 -0.54 0.00 0.00 175.26 176.17 2f2t s ALA 51 N 2.08 1.87 -0.16 6.30 0.00 -1.26 -5.03 121.76 125.56 2f2t s ALA 51 Ca 0.72 -0.90 0.15 0.00 0.00 0.00 0.00 51.96 51.93 2f2t s ALA 51 Cb -0.41 -2.89 -0.24 0.00 0.00 0.00 0.00 23.12 19.58 2f2t s ALA 51 CO 0.32 -2.51 0.23 0.25 0.00 0.00 0.00 175.76 174.05 2f2t n THR 52 N -3.89 1.47 -3.24 0.00 -2.24 -1.26 -4.84 114.28 100.27 2f2t n THR 52 Ca 0.12 -0.82 -0.39 0.00 -2.27 0.00 0.00 64.05 60.69 2f2t n THR 52 Cb 0.60 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 2f2t n THR 52 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2f2t s GLU 53 N -2.52 4.30 0.23 -0.78 2.56 -1.26 -4.99 118.70 116.23 2f2t s GLU 53 Ca -0.10 0.65 -0.09 0.00 0.00 0.00 0.00 54.97 55.43 2f2t s GLU 53 Cb 0.07 -3.36 0.36 0.00 2.00 0.00 0.00 34.13 33.19 2f2t s GLU 53 CO 0.81 0.32 1.67 0.00 -0.56 0.00 0.00 175.26 177.50 2f2t h ALA 54 N 5.91 0.74 -0.34 6.30 0.00 -2.00 -1.36 119.26 128.50 2f2t h ALA 54 Ca -0.44 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2f2t h ALA 54 Cb 1.20 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2f2t h ALA 54 CO 0.71 -0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 179.49 2f2t h LEU 55 N 0.17 0.52 -0.28 0.00 3.38 -1.99 -0.61 115.31 116.51 2f2t h LEU 55 Ca 0.36 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2f2t h LEU 55 Cb 0.59 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2f2t h LEU 55 CO -0.52 0.61 -0.30 0.44 0.09 0.00 0.00 178.44 178.75 2f2t h ASP 56 N 0.52 0.74 -0.37 -0.43 3.32 -1.70 -0.30 116.42 118.20 2f2t h ASP 56 Ca 0.11 -0.48 0.01 0.00 0.02 0.00 0.00 57.03 56.69 2f2t h ASP 56 Cb 0.38 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2f2t h ASP 56 CO 0.02 1.07 0.22 0.40 -1.72 0.00 0.00 179.24 179.23 2f2t h ILE 57 N 0.43 1.06 0.03 0.35 2.04 -1.03 -1.04 117.51 119.35 2f2t h ILE 57 Ca 0.04 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2f2t h ILE 57 Cb 0.87 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2f2t h ILE 57 CO 0.07 0.08 -0.05 -0.09 0.00 0.00 0.00 178.15 178.16 2f2t h ARG 58 N 0.46 -0.11 -0.89 2.37 2.43 -1.06 -1.80 114.38 115.79 2f2t h ARG 58 Ca 0.14 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2f2t h ARG 58 Cb -0.01 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2f2t h ARG 58 CO -0.06 -0.07 0.59 0.37 -1.51 0.00 0.00 179.97 179.29 2f2t h GLN 59 N -0.11 1.17 -0.73 0.20 5.75 -0.88 -0.08 115.11 120.43 2f2t h GLN 59 Ca 0.01 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 2f2t h GLN 59 Cb 0.12 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 2f2t h GLN 59 CO -0.03 0.77 0.22 -0.22 -2.65 0.00 0.00 178.83 176.92 2f2t h LYS 60 N 1.20 1.14 -0.42 1.69 3.64 -1.06 -0.35 116.57 122.42 2f2t h LYS 60 Ca 0.33 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2f2t h LYS 60 Cb -0.13 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 2f2t h LYS 60 CO -0.07 0.98 -0.15 -0.91 -2.27 0.00 0.00 179.45 177.02 2f2t h ASN 61 N 1.09 0.85 -0.80 4.20 2.35 -0.73 -2.87 115.58 119.67 2f2t h ASN 61 Ca 0.23 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2f2t h ASN 61 Cb 0.32 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2f2t h ASN 61 CO -0.01 1.05 0.51 0.40 -1.65 0.00 0.00 177.43 177.74 2f2t h ILE 62 N 0.66 1.21 0.00 2.81 2.04 -0.87 -2.28 117.51 121.08 2f2t h ILE 62 Ca 0.10 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2f2t h ILE 62 Cb 0.70 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2f2t h ILE 62 CO 0.05 0.21 0.00 1.67 0.00 0.00 0.00 178.15 180.08 2f2t n GLN 63 N -4.51 0.11 0.00 2.37 -0.06 -0.16 -1.33 117.38 113.81 2f2t n GLN 63 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2f2t n GLN 63 Cb 0.03 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.77 2f2t n GLN 63 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2f2t n ILE 65 N 0.97 0.00 -0.13 1.69 5.41 -0.86 -0.75 119.36 125.69 2f2t n ILE 65 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 2f2t n ILE 65 Cb 0.06 0.00 0.38 0.00 -0.71 0.00 0.00 39.64 39.37 2f2t n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2f2t h LYS 66 N 0.00 0.66 0.00 0.38 1.57 -1.49 -2.78 116.57 114.91 2f2t h LYS 66 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2f2t h LYS 66 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2f2t h LYS 66 CO 0.00 0.44 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.49 2f2t h ASP 67 N 0.68 0.00 -4.38 0.86 3.32 -1.21 -3.48 116.42 112.21 2f2t h ASP 67 Ca 0.27 -0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.75 2f2t h ASP 67 Cb 0.22 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.84 2f2t h ASP 67 CO -0.08 0.03 0.40 0.00 -1.72 0.00 0.00 179.24 177.87 2f2t n ASP 69 N -3.00 0.98 -3.71 0.00 8.00 0.11 -4.99 116.55 113.94 2f2t n ASP 69 Ca 0.07 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.71 2f2t n ASP 69 Cb 0.55 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 2f2t n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f2t s ALA 70 N -2.56 -0.74 -0.15 2.24 0.00 -1.16 -4.94 121.76 114.45 2f2t s ALA 70 Ca -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 2f2t s ALA 70 Cb 0.07 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2f2t s ALA 70 CO 0.80 -0.55 -0.05 0.08 0.00 0.00 0.00 175.76 176.04 2f2t s VAL 71 N -3.45 3.77 -0.30 0.00 1.01 -1.26 -1.28 120.40 118.89 2f2t s VAL 71 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2f2t s VAL 71 Cb 0.02 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2f2t s VAL 71 CO -0.09 0.49 0.12 -0.63 0.00 0.00 0.00 175.10 174.99 2f2t s ILE 72 N 0.39 4.32 -0.16 2.22 1.01 -0.82 -0.21 121.20 127.95 2f2t s ILE 72 Ca -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 2f2t s ILE 72 Cb -0.14 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2f2t s ILE 72 CO 0.03 0.09 -0.08 0.00 0.00 0.00 0.00 174.94 174.98 2f2t s ALA 73 N 1.57 2.80 -0.69 9.38 0.00 0.91 -2.13 121.76 133.60 2f2t s ALA 73 Ca 0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 2f2t s ALA 73 Cb -0.17 -1.46 0.05 0.00 0.00 0.00 0.00 23.12 21.54 2f2t s ALA 73 CO 0.04 0.05 1.11 0.34 0.00 0.00 0.00 175.76 177.31 2f2t s ASP 74 N 0.66 6.18 -0.43 0.00 -1.08 0.23 -1.35 116.67 120.87 2f2t s ASP 74 Ca -0.04 -0.70 0.05 0.00 -0.52 0.00 0.00 52.55 51.33 2f2t s ASP 74 Cb -0.15 -2.49 0.67 0.00 -1.46 0.00 0.00 42.92 39.49 2f2t s ASP 74 CO 0.02 -1.61 1.88 0.18 0.52 0.00 0.00 175.17 176.16 2f2t n LEU 75 N 8.46 6.54 -4.70 -1.34 4.77 0.47 -4.43 117.00 126.77 2f2t n LEU 75 Ca -0.00 -3.59 -0.33 0.00 -0.03 0.00 0.00 56.01 52.05 2f2t n LEU 75 Cb 0.47 -0.82 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2f2t n LEU 75 CO 0.67 1.05 0.76 -0.44 -1.33 0.00 0.00 177.39 178.10 2f2t s SER 76 N -1.36 3.71 0.12 -1.43 0.01 -1.23 -4.45 113.70 109.07 2f2t s SER 76 Ca 0.56 2.31 -0.35 0.00 1.31 0.00 0.00 55.95 59.78 2f2t s SER 76 Cb 0.47 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.96 2f2t s SER 76 CO 0.10 -2.58 1.35 -0.81 0.41 0.00 0.00 173.24 171.71 2f2t n PRO 77 N -3.28 1.36 -3.80 12.44 -0.04 -1.26 -4.23 135.00 136.19 2f2t n PRO 77 Ca 0.13 0.49 -0.26 0.00 -0.04 0.00 0.00 63.50 63.82 2f2t n PRO 77 Cb 0.51 -2.12 -0.17 0.00 -0.04 0.00 0.00 33.50 31.68 2f2t n PRO 77 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f2t s PHE 78 N 0.39 1.10 -1.45 0.54 5.36 0.11 -4.80 117.98 119.23 2f2t s PHE 78 Ca 0.80 -0.67 -0.09 0.00 -0.96 0.00 0.00 56.93 56.02 2f2t s PHE 78 Cb -0.87 -1.03 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 2f2t s PHE 78 CO 0.47 -0.51 0.95 0.54 -1.46 0.00 0.00 175.22 175.20 2f2t n ARG 79 N 5.03 -6.41 0.00 10.12 1.74 -1.26 -4.52 116.66 121.36 2f2t n ARG 79 Ca -0.09 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2f2t n ARG 79 Cb 0.48 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 26.18 2f2t n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f2t n GLY 80 N -1.77 0.69 0.12 -0.13 0.00 -1.26 -4.86 105.19 97.97 2f2t n GLY 80 Ca -0.02 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 44.03 2f2t n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2f2t n HIS 81 N 4.65 0.81 -3.08 1.61 8.25 -1.26 -4.54 115.22 121.66 2f2t n HIS 81 Ca 0.00 0.29 -0.38 0.00 -0.26 0.00 0.00 57.72 57.37 2f2t n HIS 81 Cb 0.00 -0.97 -0.06 0.00 1.12 0.00 0.00 29.99 30.08 2f2t n HIS 81 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f2t s GLU 82 N -3.24 4.36 1.10 -0.41 0.41 -1.26 -4.61 118.70 115.05 2f2t s GLU 82 Ca 0.06 0.96 -0.13 0.00 -0.41 0.00 0.00 54.97 55.46 2f2t s GLU 82 Cb 0.10 -3.06 0.25 0.00 -1.78 0.00 0.00 34.13 29.64 2f2t s GLU 82 CO 0.45 0.49 1.05 -2.14 -0.49 0.00 0.00 175.26 174.62 2f2t s PRO 83 N -1.57 -0.44 0.17 0.39 0.02 -1.26 -0.71 135.00 131.60 2f2t s PRO 83 Ca 0.39 0.77 -0.31 0.00 0.02 0.00 0.00 61.00 61.87 2f2t s PRO 83 Cb -0.19 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 2f2t s PRO 83 CO 0.23 -3.38 1.38 0.34 -0.33 0.00 0.00 177.00 175.23 2f2t s ASP 84 N -2.81 6.81 0.31 2.53 2.15 -1.26 -4.69 116.67 119.70 2f2t s ASP 84 Ca 0.67 2.43 0.01 0.00 0.43 0.00 0.00 52.55 56.09 2f2t s ASP 84 Cb -0.23 -2.60 0.50 0.00 -0.30 0.00 0.00 42.92 40.29 2f2t s ASP 84 CO 0.62 -0.63 1.87 0.00 -0.17 0.00 0.00 175.17 176.87 2f2t h GLY 86 N 0.90 0.69 1.01 0.00 0.00 -1.99 -0.11 103.07 103.57 2f2t h GLY 86 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2f2t h GLY 86 CO -0.01 0.45 0.47 -0.84 0.00 0.00 0.00 176.54 176.62 2f2t h THR 87 N 0.47 1.20 -0.72 4.70 2.02 -1.88 -2.06 112.91 116.64 2f2t h THR 87 Ca 0.11 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2f2t h THR 87 Cb 0.42 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2f2t h THR 87 CO 0.01 0.19 0.44 0.00 0.37 0.00 0.00 175.52 176.54 2f2t h ALA 88 N 1.25 0.91 -0.50 6.16 0.00 -0.93 -0.45 119.26 125.70 2f2t h ALA 88 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2f2t h ALA 88 Cb -0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 2f2t h ALA 88 CO -0.05 0.37 0.23 0.35 0.00 0.00 0.00 179.25 180.15 2f2t h PHE 89 N 0.98 0.42 -0.51 0.00 3.57 -0.79 -0.95 116.94 119.66 2f2t h PHE 89 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2f2t h PHE 89 Cb -0.05 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2f2t h PHE 89 CO -0.01 0.19 -0.01 0.93 -2.23 0.00 0.00 178.31 177.18 2f2t h GLU 90 N 0.45 0.87 -0.64 1.11 5.08 -0.74 0.39 114.58 121.10 2f2t h GLU 90 Ca 0.23 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2f2t h GLU 90 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2f2t h GLU 90 CO -0.18 0.87 0.22 0.28 -1.00 0.00 0.00 179.01 179.20 2f2t h VAL 91 N 0.80 1.24 -0.32 3.13 2.07 -0.83 -1.18 116.25 121.17 2f2t h VAL 91 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2f2t h VAL 91 Cb 0.49 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2f2t h VAL 91 CO 0.02 0.31 0.20 1.23 0.02 0.00 0.00 177.57 179.35 2f2t h GLY 92 N 0.92 0.46 0.52 2.17 0.00 -0.64 -0.56 103.07 105.94 2f2t h GLY 92 Ca 0.21 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.40 2f2t h GLY 92 CO -0.01 0.18 -0.10 0.00 0.00 0.00 0.00 176.54 176.61 2f2t h ALA 94 N 1.06 0.88 -0.54 0.00 0.00 -1.05 -2.35 119.26 117.26 2f2t h ALA 94 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2f2t h ALA 94 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2f2t h ALA 94 CO -0.23 0.37 0.34 0.00 0.00 0.00 0.00 179.25 179.73 2f2t h ALA 95 N 1.20 0.70 -0.14 0.00 0.00 -0.87 -1.29 119.26 118.86 2f2t h ALA 95 Ca 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2f2t h ALA 95 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2f2t h ALA 95 CO -0.04 0.08 -0.15 0.00 0.00 0.00 0.00 179.25 179.14 2f2t h ALA 96 N 1.22 1.50 -0.30 0.00 0.00 -1.16 -2.31 119.26 118.21 2f2t h ALA 96 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f2t h ALA 96 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2f2t h ALA 96 CO -0.07 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.81 2f2t n LEU 97 N -4.26 1.81 -2.90 0.00 4.77 -0.90 -4.93 117.00 110.59 2f2t n LEU 97 Ca -0.01 -0.87 -0.21 0.00 -0.03 0.00 0.00 56.01 54.89 2f2t n LEU 97 Cb 0.28 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2f2t n LEU 97 CO 0.38 0.43 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.60 2f2t n ASN 98 N 0.47 -5.52 0.00 -1.43 5.15 -0.87 -5.05 115.26 108.00 2f2t n ASN 98 Ca 0.13 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2f2t n ASN 98 Cb 0.30 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.04 2f2t n ASN 98 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2f2t n LYS 99 N -3.67 0.00 -3.34 1.20 4.76 -0.54 -5.04 118.16 111.52 2f2t n LYS 99 Ca -0.13 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.34 2f2t n LYS 99 Cb 0.62 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.77 2f2t n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f2t s VAL 101 N 0.38 -0.08 -0.11 -0.18 1.01 -1.26 -4.67 120.40 115.49 2f2t s VAL 101 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2f2t s VAL 101 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2f2t s VAL 101 CO 0.00 0.00 -0.22 -0.76 0.00 0.00 0.00 175.10 174.12 2f2t s LEU 102 N 1.78 2.06 0.13 3.92 1.43 0.71 -4.92 118.68 123.80 2f2t s LEU 102 Ca -0.02 -0.56 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2f2t s LEU 102 Cb -0.02 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2f2t s LEU 102 CO -0.14 0.12 -0.27 0.42 0.23 0.00 0.00 176.35 176.71 2f2t s THR 103 N 0.53 2.24 0.11 5.49 -4.23 -1.26 -0.06 115.64 118.46 2f2t s THR 103 Ca -0.14 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2f2t s THR 103 Cb -0.17 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2f2t s THR 103 CO 0.05 0.07 0.03 0.72 -0.54 0.00 0.00 174.62 174.95 2f2t s PHE 104 N -1.10 0.79 -0.04 3.99 -0.71 -0.46 -1.43 117.98 119.02 2f2t s PHE 104 Ca 0.14 -1.17 -0.19 0.00 -1.04 0.00 0.00 56.93 54.66 2f2t s PHE 104 Cb -0.10 -0.47 0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2f2t s PHE 104 CO 0.06 -0.46 0.42 -0.08 -1.34 0.00 0.00 175.22 173.82 2f2t s THR 105 N -3.99 0.04 -1.24 -4.49 -1.32 -0.85 -0.39 115.64 103.39 2f2t s THR 105 Ca 0.19 -0.30 0.24 0.00 -1.21 0.00 0.00 61.69 60.62 2f2t s THR 105 Cb 0.08 -0.72 0.32 0.00 -1.51 0.00 0.00 72.50 70.67 2f2t s THR 105 CO -0.01 -0.16 1.78 -1.54 -2.21 0.00 0.00 174.62 172.48 2f2t n SER 106 N 1.37 0.00 -3.56 8.08 3.41 -1.26 -4.48 113.62 117.17 2f2t n SER 106 Ca -0.20 0.19 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 2f2t n SER 106 Cb 0.56 -0.38 -0.15 0.00 -0.26 0.00 0.00 64.21 63.98 2f2t n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f2t s ASP 107 N -2.76 3.28 0.00 4.04 -1.08 -1.26 -5.02 116.67 113.87 2f2t s ASP 107 Ca 0.18 -1.14 0.27 0.00 -0.52 0.00 0.00 52.55 51.33 2f2t s ASP 107 Cb 0.16 -0.34 0.74 0.00 -1.46 0.00 0.00 42.92 42.02 2f2t s ASP 107 CO 0.40 -0.42 1.57 0.54 0.52 0.00 0.00 175.17 177.78 2f2t n ARG 108 N 5.25 1.89 -1.69 4.34 3.00 -1.26 -4.93 116.66 123.25 2f2t n ARG 108 Ca -0.06 -1.30 -0.37 0.00 -0.01 0.00 0.00 57.85 56.11 2f2t n ARG 108 Cb 0.44 -1.47 0.07 0.00 0.00 0.00 0.00 32.46 31.50 2f2t n ARG 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2f2t s ARG 109 N -2.01 2.48 0.00 5.56 0.52 -1.26 -4.55 118.95 119.69 2f2t s ARG 109 Ca 0.34 2.05 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 2f2t s ARG 109 Cb 0.21 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.84 2f2t s ARG 109 CO 0.33 -1.65 0.00 0.27 0.02 0.00 0.00 175.30 174.26 2f2t n ASN 110 N -2.01 0.00 0.00 0.23 0.23 -1.26 -4.05 115.26 108.40 2f2t n ASN 110 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 2f2t n ASN 110 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2f2t n ASN 110 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2f2t n ARG 112 N 0.00 0.00 -0.08 -3.83 1.74 -1.26 -1.57 116.66 111.66 2f2t n ARG 112 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2f2t n ARG 112 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2f2t n ARG 112 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2f2t h GLU 113 N 0.00 0.85 -0.33 5.56 5.08 -1.91 -0.25 114.58 123.59 2f2t h GLU 113 Ca 0.00 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 2f2t h GLU 113 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2f2t h GLU 113 CO 0.00 1.18 0.04 0.87 -1.00 0.00 0.00 179.01 180.11 2f2t h LYS 114 N 0.63 0.56 0.00 2.33 1.57 -1.59 -2.97 116.57 117.09 2f2t h LYS 114 Ca 0.01 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2f2t h LYS 114 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2f2t h LYS 114 CO 0.12 0.65 -0.24 1.88 -0.57 0.00 0.00 179.45 181.29 2f2t h TYR 115 N 0.39 0.00 -0.12 -1.35 0.05 -1.84 -3.48 116.97 110.62 2f2t h TYR 115 Ca 0.10 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 2f2t h TYR 115 Cb 0.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2f2t h TYR 115 CO 0.03 0.00 -0.05 0.41 -1.05 0.00 0.00 178.16 177.50 2f2t n GLY 116 N 1.28 0.56 3.74 3.88 0.00 -0.16 -4.95 105.19 109.54 2f2t n GLY 116 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 2f2t n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f2t s SER 117 N -2.38 -0.16 0.00 1.61 0.15 -0.87 -5.00 113.70 107.06 2f2t s SER 117 Ca 0.00 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 56.57 2f2t s SER 117 Cb 0.00 0.44 1.33 0.00 -1.71 0.00 0.00 66.02 66.09 2f2t s SER 117 CO 0.00 -0.82 1.92 0.61 1.20 0.00 0.00 173.24 176.15 2f2t n GLY 118 N -0.48 -0.89 3.15 9.45 0.00 -1.26 -4.51 105.19 110.65 2f2t n GLY 118 Ca -0.06 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2f2t n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f2t s VAL 119 N -2.37 0.76 0.23 1.61 -7.23 -1.26 -0.38 120.40 111.76 2f2t s VAL 119 Ca 0.33 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2f2t s VAL 119 Cb 0.20 -1.34 0.05 0.00 0.56 0.00 0.00 36.38 35.85 2f2t s VAL 119 CO 0.45 -0.65 0.31 -0.90 -0.31 0.00 0.00 175.10 174.00 2f2t n ASP 120 N 0.49 0.14 0.32 4.85 5.68 0.18 -4.85 116.55 123.37 2f2t n ASP 120 Ca -0.16 -1.19 0.21 0.00 -0.50 0.00 0.00 54.79 53.15 2f2t n ASP 120 Cb 0.58 -0.23 1.07 0.00 -1.14 0.00 0.00 41.12 41.41 2f2t n ASP 120 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2f2t h LYS 121 N 0.00 0.00 -0.51 0.11 2.10 -1.94 -1.83 116.57 114.49 2f2t h LYS 121 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2f2t h LYS 121 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2f2t h LYS 121 CO 0.08 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 2f2t n ASP 122 N -3.19 4.59 -1.35 7.07 8.00 -1.26 -4.94 116.55 125.47 2f2t n ASP 122 Ca -0.02 -2.63 -0.15 0.00 0.71 0.00 0.00 54.79 52.70 2f2t n ASP 122 Cb 0.12 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 2f2t n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2f2t n ASN 123 N 0.59 -4.61 -4.77 -2.24 5.15 -0.69 -5.01 115.26 103.68 2f2t n ASN 123 Ca 0.24 0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 54.03 2f2t n ASN 123 Cb 0.91 -3.55 -0.06 0.00 -0.53 0.00 0.00 39.78 36.55 2f2t n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f2t s LEU 124 N -3.68 4.41 0.29 1.20 1.43 -1.26 -4.80 118.68 116.27 2f2t s LEU 124 Ca 0.00 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 2f2t s LEU 124 Cb 0.00 -2.82 -0.11 0.00 0.03 0.00 0.00 46.19 43.29 2f2t s LEU 124 CO 0.00 0.13 1.58 -0.13 0.23 0.00 0.00 176.35 178.15 2f2t s ARG 125 N -0.23 4.14 -0.20 1.70 0.52 -1.26 -0.64 118.95 122.97 2f2t s ARG 125 Ca 0.29 2.54 -0.08 0.00 -0.52 0.00 0.00 55.73 57.96 2f2t s ARG 125 Cb -0.17 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 2f2t s ARG 125 CO 0.15 -0.61 0.08 0.08 0.02 0.00 0.00 175.30 175.03 2f2t s VAL 126 N 0.02 4.80 0.41 3.52 1.01 0.49 -4.83 120.40 125.82 2f2t s VAL 126 Ca 0.63 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2f2t s VAL 126 Cb -0.47 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 2f2t s VAL 126 CO 0.47 0.42 1.16 -0.62 0.00 0.00 0.00 175.10 176.53 2f2t n GLU 127 N 3.91 1.69 -3.03 2.72 1.02 -1.26 -4.78 120.64 120.91 2f2t n GLU 127 Ca -0.16 0.60 -0.26 0.00 -0.02 0.00 0.00 57.16 57.32 2f2t n GLU 127 Cb 0.52 -2.23 -0.04 0.00 -0.02 0.00 0.00 31.44 29.67 2f2t n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f2t n GLY 128 N 0.97 5.21 0.17 0.62 0.00 -1.26 -4.24 105.19 106.67 2f2t n GLY 128 Ca 0.08 -2.62 0.06 0.00 0.00 0.00 0.00 46.02 43.54 2f2t n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f2t n PHE 129 N -0.03 0.13 -2.79 1.61 3.72 -1.26 -4.98 117.46 113.85 2f2t n PHE 129 Ca 0.30 -0.79 -0.20 0.00 -0.05 0.00 0.00 57.45 56.71 2f2t n PHE 129 Cb 0.43 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.87 2f2t n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f2t n GLY 130 N -0.90 -0.41 3.39 1.37 0.00 -1.26 -5.02 105.19 102.36 2f2t n GLY 130 Ca 0.11 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2f2t n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f2t s LEU 131 N -5.94 2.37 0.03 0.99 1.43 -1.26 -4.87 118.68 111.43 2f2t s LEU 131 Ca 0.20 -0.79 0.26 0.00 -1.03 0.00 0.00 54.13 52.77 2f2t s LEU 131 Cb -0.09 -1.13 1.09 0.00 0.03 0.00 0.00 46.19 46.09 2f2t s LEU 131 CO 0.25 0.13 1.84 -0.81 0.23 0.00 0.00 176.35 177.99 2f2t n PRO 132 N 0.64 0.04 -3.86 1.29 -0.04 -1.26 -4.42 135.00 127.40 2f2t n PRO 132 Ca -0.16 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.28 2f2t n PRO 132 Cb 0.54 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2f2t n PRO 132 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2f2t s PHE 133 N -3.02 0.22 -0.06 0.54 -0.71 -1.26 -4.88 117.98 108.81 2f2t s PHE 133 Ca 0.12 -0.80 -0.40 0.00 -1.04 0.00 0.00 56.93 54.80 2f2t s PHE 133 Cb 0.17 0.67 -0.19 0.00 -1.21 0.00 0.00 43.02 42.46 2f2t s PHE 133 CO 0.50 -1.46 1.19 -1.71 -1.34 0.00 0.00 175.22 172.40 2f2t n ASN 134 N -1.27 0.42 -2.60 1.98 2.85 -1.26 -4.87 115.26 110.52 2f2t n ASN 134 Ca -0.06 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 2f2t n ASN 134 Cb 0.60 -0.96 0.00 0.00 1.24 0.00 0.00 39.78 40.67 2f2t n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2f2t n LEU 135 N 2.05 0.00 0.00 1.20 -0.00 -1.26 -4.13 117.00 114.86 2f2t n LEU 135 Ca 0.21 -0.54 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 2f2t n LEU 135 Cb 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 2f2t n LEU 135 CO 0.65 -0.59 0.00 0.18 -0.00 0.00 0.00 177.39 177.64 2f2t n LEU 137 N 3.18 0.00 -4.44 1.47 4.77 -1.26 -4.76 117.00 115.96 2f2t n LEU 137 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2f2t n LEU 137 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2f2t n LEU 137 CO 0.27 0.00 -0.35 -0.47 -1.33 0.00 0.00 177.39 175.51 2f2t s TYR 138 N 0.00 3.01 -0.20 -1.77 5.04 -1.26 -5.00 117.35 117.17 2f2t s TYR 138 Ca 0.00 -0.50 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 2f2t s TYR 138 Cb 0.00 -2.04 0.06 0.00 0.35 0.00 0.00 41.96 40.33 2f2t s TYR 138 CO 0.00 -0.23 1.00 -0.40 -1.34 0.00 0.00 175.55 174.58 2f2t n ASP 139 N 4.10 2.08 0.00 4.32 5.75 -1.26 -4.98 116.55 126.55 2f2t n ASP 139 Ca -0.17 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2f2t n ASP 139 Cb 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2f2t n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f2t n GLY 140 N -0.24 2.93 3.76 6.12 0.00 -1.26 -5.07 105.19 111.42 2f2t n GLY 140 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2f2t n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f2t s VAL 141 N -2.58 3.62 0.27 1.61 1.01 -1.26 -4.98 120.40 118.08 2f2t s VAL 141 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.24 2f2t s VAL 141 Cb 0.00 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 2f2t s VAL 141 CO 0.00 0.31 1.08 1.21 0.00 0.00 0.00 175.10 177.70 2f2t n GLU 142 N 0.99 1.39 -2.75 2.72 2.13 -1.26 -4.94 120.64 118.93 2f2t n GLU 142 Ca -0.00 0.49 -0.43 0.00 0.66 0.00 0.00 57.16 57.88 2f2t n GLU 142 Cb 0.46 -1.91 -0.03 0.00 0.27 0.00 0.00 31.44 30.23 2f2t n GLU 142 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f2t s VAL 143 N -0.82 4.51 0.71 6.31 1.01 -1.26 -4.61 120.40 126.25 2f2t s VAL 143 Ca 0.62 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.77 2f2t s VAL 143 Cb -0.72 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 31.29 2f2t s VAL 143 CO 0.58 -0.61 1.08 -0.36 0.00 0.00 0.00 175.10 175.79 2f2t s PHE 144 N 3.66 3.23 -2.68 5.22 0.08 -0.52 -4.93 117.98 122.05 2f2t s PHE 144 Ca 0.41 0.92 0.23 0.00 0.12 0.00 0.00 56.93 58.60 2f2t s PHE 144 Cb -0.11 -3.10 0.14 0.00 -0.57 0.00 0.00 43.02 39.38 2f2t s PHE 144 CO 0.20 -1.24 1.19 -0.40 -0.10 0.00 0.00 175.22 174.87 2f2t n ASP 145 N -3.00 2.72 -3.60 1.36 5.68 -1.26 -2.01 116.55 116.44 2f2t n ASP 145 Ca 0.07 -1.86 -0.09 0.00 -0.50 0.00 0.00 54.79 52.41 2f2t n ASP 145 Cb 0.58 0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.63 2f2t n ASP 145 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2f2t s SER 146 N -2.00 -0.40 0.18 -1.12 1.04 -1.26 -4.54 113.70 105.60 2f2t s SER 146 Ca 0.25 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 2f2t s SER 146 Cb 0.19 0.59 0.14 0.00 0.10 0.00 0.00 66.02 67.04 2f2t s SER 146 CO 0.34 -1.02 1.80 0.15 0.98 0.00 0.00 173.24 175.49 2f2t h PHE 147 N 2.00 0.57 -0.63 5.02 3.57 -1.96 -2.78 116.94 122.72 2f2t h PHE 147 Ca -0.27 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.29 2f2t h PHE 147 Cb 1.27 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 2f2t h PHE 147 CO 0.31 0.30 0.38 0.93 -2.23 0.00 0.00 178.31 178.00 2f2t h GLU 148 N 0.60 0.72 -0.40 1.11 3.07 -1.98 0.27 114.58 117.96 2f2t h GLU 148 Ca 0.23 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 2f2t h GLU 148 Cb 0.08 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2f2t h GLU 148 CO -0.13 0.48 -0.19 0.77 -1.40 0.00 0.00 179.01 178.53 2f2t h SER 149 N 0.74 0.78 -0.52 1.42 0.02 -1.95 -1.26 113.55 112.77 2f2t h SER 149 Ca 0.26 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2f2t h SER 149 Cb 0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2f2t h SER 149 CO -0.12 0.96 0.10 0.00 -1.14 0.00 0.00 176.83 176.63 2f2t h ALA 150 N 1.10 0.69 -0.45 3.77 0.00 -1.16 -2.82 119.26 120.40 2f2t h ALA 150 Ca 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2f2t h ALA 150 Cb 0.69 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2f2t h ALA 150 CO 0.05 0.42 0.11 0.35 0.00 0.00 0.00 179.25 180.18 2f2t h PHE 151 N 0.75 0.68 -0.73 0.00 3.57 -0.67 -1.49 116.94 119.05 2f2t h PHE 151 Ca 0.16 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2f2t h PHE 151 Cb 0.38 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2f2t h PHE 151 CO 0.03 0.59 0.37 0.87 -2.23 0.00 0.00 178.31 177.93 2f2t h LYS 152 N 0.65 1.04 -0.58 1.11 1.57 -1.06 -1.15 116.57 118.16 2f2t h LYS 152 Ca 0.15 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2f2t h LYS 152 Cb 0.25 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2f2t h LYS 152 CO -0.00 0.80 0.29 -0.92 -0.57 0.00 0.00 179.45 179.05 2f2t h TYR 153 N 1.02 0.83 -0.34 -1.35 3.20 -1.17 -2.10 116.97 117.05 2f2t h TYR 153 Ca 0.25 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.13 2f2t h TYR 153 Cb 0.09 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2f2t h TYR 153 CO 0.00 0.62 0.10 0.35 -1.64 0.00 0.00 178.16 177.59 2f2t h PHE 154 N 0.79 0.17 -0.38 -3.82 3.57 -0.80 -1.03 116.94 115.44 2f2t h PHE 154 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2f2t h PHE 154 Cb 0.10 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2f2t h PHE 154 CO -0.00 0.06 0.12 -0.07 -2.23 0.00 0.00 178.31 176.18 2f2t h LEU 155 N 0.23 0.50 -0.14 0.59 3.38 -0.99 0.36 115.31 119.24 2f2t h LEU 155 Ca 0.16 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2f2t h LEU 155 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2f2t h LEU 155 CO -0.18 0.48 -0.45 0.00 0.09 0.00 0.00 178.44 178.39 2f2t h ALA 156 N 1.59 0.74 -0.00 1.53 0.00 -0.95 -3.37 119.26 118.79 2f2t h ALA 156 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2f2t h ALA 156 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2f2t h ALA 156 CO -0.01 0.56 -0.13 0.09 0.00 0.00 0.00 179.25 179.76 2f2t n ASN 157 N -3.25 0.54 -3.44 0.00 3.02 -0.43 -4.74 115.26 106.96 2f2t n ASN 157 Ca 0.02 -0.77 -0.26 0.00 -0.03 0.00 0.00 54.58 53.53 2f2t n ASN 157 Cb 0.69 0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 40.47 2f2t n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2f2t n PHE 158 N -0.69 0.55 -1.67 3.10 7.35 0.12 -5.04 117.46 121.17 2f2t n PHE 158 Ca 0.01 -3.66 -0.30 0.00 -0.76 0.00 0.00 57.45 52.74 2f2t n PHE 158 Cb 0.08 -0.16 0.07 0.00 0.35 0.00 0.00 39.48 39.82 2f2t n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f2t s PRO 159 N -0.85 2.47 0.00 -7.13 0.04 -1.26 -4.70 135.00 123.57 2f2t s PRO 159 Ca 0.33 0.62 0.19 0.00 0.04 0.00 0.00 61.00 62.18 2f2t s PRO 159 Cb 0.07 -1.96 1.15 0.00 0.04 0.00 0.00 34.50 33.79 2f2t s PRO 159 CO -0.15 -1.35 1.54 0.43 0.04 0.00 0.00 177.00 177.51