#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1via s ASN 6 N 0.00 3.48 -0.21 3.14 0.01 -1.26 -1.90 114.94 118.19 1via s ASN 6 Ca 0.00 -1.22 -0.03 0.00 -0.71 0.00 0.00 52.86 50.90 1via s ASN 6 Cb 0.00 -0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 1via s ASN 6 CO 0.00 -0.27 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.63 1via s ILE 7 N -2.73 3.23 -0.15 0.60 1.01 -0.22 -0.99 121.20 121.95 1via s ILE 7 Ca 0.32 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1via s ILE 7 Cb 0.04 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1via s ILE 7 CO 0.16 0.44 -0.09 -0.69 0.00 0.00 0.00 174.94 174.75 1via s VAL 8 N 1.41 3.29 -0.20 2.92 1.01 0.24 -0.54 120.40 128.52 1via s VAL 8 Ca 0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1via s VAL 8 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1via s VAL 8 CO -0.04 0.50 0.07 -0.36 0.00 0.00 0.00 175.10 175.28 1via s PHE 9 N 0.56 3.21 0.28 5.22 0.08 0.73 0.13 117.98 128.19 1via s PHE 9 Ca -0.06 -0.02 0.06 0.00 0.12 0.00 0.00 56.93 57.03 1via s PHE 9 Cb -0.15 -2.14 -0.06 0.00 -0.57 0.00 0.00 43.02 40.11 1via s PHE 9 CO 0.03 0.03 -0.05 0.96 -0.10 0.00 0.00 175.22 176.08 1via s ILE 10 N 0.74 1.60 0.00 0.64 -4.36 0.07 -2.76 121.20 117.12 1via s ILE 10 Ca 0.04 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1via s ILE 10 Cb -0.13 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1via s ILE 10 CO 0.02 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.51 1via n GLY 11 N -0.57 0.98 0.00 6.27 0.00 -1.26 -1.18 105.19 109.43 1via n GLY 11 Ca -0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1via n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1via n PHE 12 N -1.79 0.00 -0.09 1.61 -0.00 -1.26 -4.06 117.46 111.87 1via n PHE 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1via n PHE 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1via n PHE 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1via n GLY 14 N 3.63 0.00 0.11 7.13 0.00 -1.26 -4.71 105.19 110.08 1via n GLY 14 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1via n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1via n SER 15 N 0.00 0.38 -1.30 1.61 3.41 -1.26 -4.85 113.62 111.61 1via n SER 15 Ca 0.00 -0.74 -0.09 0.00 -0.26 0.00 0.00 58.87 57.78 1via n SER 15 Cb 0.00 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 1via n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1via n GLY 16 N 1.19 0.21 0.15 5.00 0.00 -1.26 -4.93 105.19 105.55 1via n GLY 16 Ca 0.18 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1via n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1via h LYS 17 N -0.53 0.43 -0.25 1.61 1.57 -1.91 -1.54 116.57 115.95 1via h LYS 17 Ca -0.20 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1via h LYS 17 Cb 1.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1via h LYS 17 CO 0.22 0.53 0.11 0.77 -0.57 0.00 0.00 179.45 180.51 1via h SER 18 N 0.25 0.33 -0.48 0.86 0.02 -1.92 -0.02 113.55 112.59 1via h SER 18 Ca 0.08 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1via h SER 18 Cb 0.30 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1via h SER 18 CO 0.00 0.38 0.27 0.74 -1.14 0.00 0.00 176.83 177.08 1via h THR 19 N 0.26 1.02 -0.21 -2.27 2.02 -1.95 -0.85 112.91 110.92 1via h THR 19 Ca 0.08 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 1via h THR 19 Cb 0.15 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1via h THR 19 CO -0.01 0.10 -0.42 0.25 0.37 0.00 0.00 175.52 175.81 1via h LEU 20 N 0.54 0.73 -1.04 2.58 5.85 -1.22 -1.51 115.31 121.24 1via h LEU 20 Ca 0.20 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1via h LEU 20 Cb 0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1via h LEU 20 CO -0.11 1.15 0.30 0.00 -0.34 0.00 0.00 178.44 179.44 1via h ALA 21 N 0.61 1.25 -0.39 1.25 0.00 -0.88 -0.89 119.26 120.21 1via h ALA 21 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1via h ALA 21 Cb 1.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1via h ALA 21 CO 0.09 0.56 -0.23 -0.09 0.00 0.00 0.00 179.25 179.58 1via h ARG 22 N 0.97 0.84 -0.59 0.00 2.43 -1.13 -0.42 114.38 116.49 1via h ARG 22 Ca 0.23 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1via h ARG 22 Cb 0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1via h ARG 22 CO -0.03 1.03 0.12 0.00 -1.51 0.00 0.00 179.97 179.58 1via h ALA 23 N 0.80 0.78 -0.46 2.80 0.00 -0.79 -0.21 119.26 122.18 1via h ALA 23 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1via h ALA 23 Cb 0.80 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1via h ALA 23 CO 0.07 0.52 -0.16 1.25 0.00 0.00 0.00 179.25 180.92 1via h LEU 24 N 0.87 0.89 -0.48 0.00 5.85 -1.09 -0.51 115.31 120.85 1via h LEU 24 Ca 0.18 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1via h LEU 24 Cb 0.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1via h LEU 24 CO 0.01 1.05 0.19 0.00 -0.34 0.00 0.00 178.44 179.35 1via h ALA 25 N 1.03 0.62 -0.56 1.25 0.00 -0.67 0.14 119.26 121.07 1via h ALA 25 Ca 0.12 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1via h ALA 25 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1via h ALA 25 CO 0.05 0.23 -0.08 -0.22 0.00 0.00 0.00 179.25 179.23 1via h LYS 26 N 0.63 1.05 -0.33 0.00 3.64 -0.93 0.21 116.57 120.84 1via h LYS 26 Ca 0.16 -0.38 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1via h LYS 26 Cb 0.19 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1via h LYS 26 CO -0.01 1.07 0.05 0.22 -2.27 0.00 0.00 179.45 178.51 1via h ASP 27 N 0.93 0.52 0.12 4.20 1.82 -0.75 -2.95 116.42 120.32 1via h ASP 27 Ca 0.15 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1via h ASP 27 Cb 0.65 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1via h ASP 27 CO 0.05 0.65 -0.16 0.18 -1.61 0.00 0.00 179.24 178.35 1via n LEU 28 N -4.60 1.29 -3.27 2.28 4.77 0.47 -4.96 117.00 112.98 1via n LEU 28 Ca -0.02 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.42 1via n LEU 28 Cb 0.22 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1via n LEU 28 CO 0.38 0.23 0.09 -0.67 -1.33 0.00 0.00 177.39 176.09 1via n ASP 29 N -0.26 -2.74 -4.72 -1.43 2.03 0.48 -5.03 116.55 104.88 1via n ASP 29 Ca 0.15 -0.60 -0.28 0.00 0.52 0.00 0.00 54.79 54.58 1via n ASP 29 Cb 0.36 -4.88 -0.08 0.00 -0.72 0.00 0.00 41.12 35.80 1via n ASP 29 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1via s LEU 30 N -5.98 2.79 0.10 -2.67 1.43 0.26 -5.03 118.68 109.59 1via s LEU 30 Ca 0.07 -1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 51.56 1via s LEU 30 Cb -0.01 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 1via s LEU 30 CO 0.69 -0.65 0.87 -0.69 0.23 0.00 0.00 176.35 176.80 1via s VAL 31 N -2.72 4.55 -0.30 -1.59 1.01 -1.05 -4.59 120.40 115.71 1via s VAL 31 Ca 0.29 1.87 -0.12 0.00 0.00 0.00 0.00 61.98 64.03 1via s VAL 31 Cb 0.05 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1via s VAL 31 CO 0.16 0.37 0.22 0.12 0.00 0.00 0.00 175.10 175.97 1via s PHE 32 N -0.21 3.22 -0.01 5.22 5.36 -1.26 -0.15 117.98 130.15 1via s PHE 32 Ca 0.42 0.04 0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1via s PHE 32 Cb -0.22 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.00 1via s PHE 32 CO 0.27 -0.23 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.10 1via s LEU 33 N 1.78 2.47 -0.15 6.12 1.43 -0.29 -4.97 118.68 125.06 1via s LEU 33 Ca 0.07 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1via s LEU 33 Cb -0.16 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1via s LEU 33 CO 0.11 0.31 -0.05 -0.62 0.23 0.00 0.00 176.35 176.33 1via s ASP 34 N -0.90 2.55 0.28 2.29 -1.08 -1.26 -0.06 116.67 118.48 1via s ASP 34 Ca 0.12 -0.53 0.01 0.00 -0.52 0.00 0.00 52.55 51.63 1via s ASP 34 Cb -0.10 -0.83 0.57 0.00 -1.46 0.00 0.00 42.92 41.10 1via s ASP 34 CO 0.01 -0.18 1.81 0.77 0.52 0.00 0.00 175.17 178.11 1via h SER 35 N 8.16 0.83 -0.26 -0.34 4.64 -1.58 -0.17 113.55 124.83 1via h SER 35 Ca -0.25 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1via h SER 35 Cb 1.12 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1via h SER 35 CO 0.38 0.41 -0.07 0.44 -0.87 0.00 0.00 176.83 177.12 1via h ASP 36 N 0.88 0.51 -0.79 4.97 3.32 -1.94 -1.59 116.42 121.78 1via h ASP 36 Ca 0.50 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1via h ASP 36 Cb 0.58 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1via h ASP 36 CO -0.30 0.76 0.47 0.15 -1.72 0.00 0.00 179.24 178.59 1via h PHE 37 N 0.25 1.06 -0.31 4.55 3.04 -1.80 -0.50 116.94 123.22 1via h PHE 37 Ca 0.07 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 1via h PHE 37 Cb 0.54 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1via h PHE 37 CO 0.05 0.71 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.77 1via h LEU 38 N 1.10 0.60 -0.32 0.59 3.38 -0.87 -0.39 115.31 119.40 1via h LEU 38 Ca 0.29 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1via h LEU 38 Cb -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1via h LEU 38 CO -0.05 0.81 -0.14 0.40 0.09 0.00 0.00 178.44 179.55 1via h ILE 39 N 0.53 1.29 -0.69 1.22 2.04 -0.86 -1.60 117.51 119.44 1via h ILE 39 Ca 0.08 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1via h ILE 39 Cb 0.66 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1via h ILE 39 CO 0.05 0.40 0.43 -0.33 0.00 0.00 0.00 178.15 178.70 1via h GLU 40 N 0.43 0.83 -0.57 2.37 5.08 -0.71 -2.17 114.58 119.83 1via h GLU 40 Ca 0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1via h GLU 40 Cb 0.66 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1via h GLU 40 CO 0.04 0.55 0.28 1.96 -1.00 0.00 0.00 179.01 180.84 1via h GLN 41 N 0.85 0.82 -0.75 2.33 1.08 -0.96 0.16 115.11 118.65 1via h GLN 41 Ca 0.27 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1via h GLN 41 Cb 0.00 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 1via h GLN 41 CO -0.10 0.67 0.42 -0.22 -0.95 0.00 0.00 178.83 178.65 1via h LYS 42 N 0.78 1.03 -0.01 1.46 3.64 -0.89 -3.10 116.57 119.48 1via h LYS 42 Ca 0.20 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1via h LYS 42 Cb 0.12 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1via h LYS 42 CO -0.03 0.76 -0.48 1.19 -2.27 0.00 0.00 179.45 178.62 1via n PHE 43 N -4.47 0.00 -3.59 1.91 3.72 -0.85 -4.97 117.46 109.21 1via n PHE 43 Ca 0.07 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.22 1via n PHE 43 Cb 0.08 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.67 1via n PHE 43 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1via n ASN 44 N -0.17 -5.96 -3.85 4.37 5.15 0.54 -4.97 115.26 110.36 1via n ASN 44 Ca 0.09 -0.56 -0.11 0.00 -0.60 0.00 0.00 54.58 53.40 1via n ASN 44 Cb 0.45 -4.72 -0.10 0.00 -0.53 0.00 0.00 39.78 34.88 1via n ASN 44 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1via s GLN 45 N -6.30 0.53 0.55 1.20 -0.21 -1.03 -5.05 119.66 109.35 1via s GLN 45 Ca 0.57 -0.39 -0.18 0.00 0.02 0.00 0.00 55.36 55.38 1via s GLN 45 Cb -0.26 0.22 -0.05 0.00 1.00 0.00 0.00 33.01 33.92 1via s GLN 45 CO 0.70 -0.13 1.09 0.15 -2.12 0.00 0.00 175.29 174.97 1via s LYS 46 N -1.46 3.40 0.25 2.91 1.02 -1.26 -4.29 119.74 120.31 1via s LYS 46 Ca -0.14 1.43 -0.04 0.00 0.02 0.00 0.00 55.97 57.25 1via s LYS 46 Cb -0.07 -2.03 0.47 0.00 -0.52 0.00 0.00 37.83 35.68 1via s LYS 46 CO 0.02 -0.77 1.73 0.28 -0.92 0.00 0.00 175.35 175.69 1via h VAL 47 N 1.00 0.67 -0.87 3.17 2.07 -1.89 -0.91 116.25 119.49 1via h VAL 47 Ca -0.49 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1via h VAL 47 Cb 1.24 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1via h VAL 47 CO 0.57 0.09 0.55 0.77 0.02 0.00 0.00 177.57 179.57 1via h SER 48 N 0.47 0.89 -0.58 0.57 4.64 -1.34 -1.73 113.55 116.47 1via h SER 48 Ca 0.42 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.69 1via h SER 48 Cb 0.63 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1via h SER 48 CO -0.40 0.59 0.12 -0.33 -0.87 0.00 0.00 176.83 175.94 1via h GLU 49 N 1.03 0.95 -0.71 4.77 5.08 -1.49 -1.44 114.58 122.77 1via h GLU 49 Ca 0.36 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1via h GLU 49 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1via h GLU 49 CO -0.15 0.89 0.38 0.82 -1.00 0.00 0.00 179.01 179.95 1via h ILE 50 N 0.85 1.22 -0.43 3.13 2.04 -0.53 -1.64 117.51 122.14 1via h ILE 50 Ca 0.18 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 1via h ILE 50 Cb 0.38 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1via h ILE 50 CO 0.01 0.25 -0.16 -0.26 0.00 0.00 0.00 178.15 177.99 1via h PHE 51 N 0.98 0.99 0.00 1.37 0.04 -1.28 0.06 116.94 119.10 1via h PHE 51 Ca 0.25 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1via h PHE 51 Cb 0.05 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1via h PHE 51 CO -0.00 1.00 -0.17 1.49 -0.60 0.00 0.00 178.31 180.03 1via h GLU 52 N 0.70 0.00 0.00 1.51 4.81 -0.96 -2.25 114.58 118.38 1via h GLU 52 Ca 0.10 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.14 1via h GLU 52 Cb 0.71 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1via h GLU 52 CO 0.05 0.17 -1.53 1.04 -0.73 0.00 0.00 179.01 178.01 1via n GLN 53 N -3.73 0.42 0.07 1.92 6.02 -0.64 -4.73 117.38 116.70 1via n GLN 53 Ca -0.02 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.27 1via n GLN 53 Cb 0.28 -1.22 0.06 0.00 1.02 0.00 0.00 30.24 30.38 1via n GLN 53 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1via n LYS 54 N -4.06 0.43 -0.27 -1.09 5.02 -0.00 -5.08 118.16 113.12 1via n LYS 54 Ca -0.27 0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.13 1via n LYS 54 Cb 0.61 -1.72 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1via n LYS 54 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1via n ARG 55 N -2.32 -0.57 -0.10 1.97 1.74 -0.85 -4.41 116.66 112.12 1via n ARG 55 Ca 0.01 0.40 -0.04 0.00 -0.77 0.00 0.00 57.85 57.45 1via n ARG 55 Cb 0.49 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 31.21 1via n ARG 55 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1via h GLU 56 N -0.26 -0.06 -0.84 5.56 4.57 -1.91 -2.81 114.58 118.85 1via h GLU 56 Ca -0.01 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 1via h GLU 56 Cb 0.25 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 1via h GLU 56 CO 0.01 -0.04 0.42 -0.91 -1.18 0.00 0.00 179.01 177.31 1via h ASN 57 N -0.06 0.51 -0.26 1.04 2.35 -1.99 -1.27 115.58 115.89 1via h ASN 57 Ca 0.04 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1via h ASN 57 Cb 0.17 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1via h ASN 57 CO -0.27 0.22 0.11 0.15 -1.65 0.00 0.00 177.43 175.98 1via h PHE 58 N 0.61 0.19 -0.53 1.19 3.04 -1.71 -0.77 116.94 118.96 1via h PHE 58 Ca 0.45 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.43 1via h PHE 58 Cb 0.64 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 1via h PHE 58 CO -0.10 0.10 0.35 0.35 -2.02 0.00 0.00 178.31 176.99 1via h PHE 59 N 0.24 0.65 -0.39 0.41 3.57 -1.18 -1.75 116.94 118.50 1via h PHE 59 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1via h PHE 59 Cb 0.06 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1via h PHE 59 CO -0.11 0.40 0.09 0.00 -2.23 0.00 0.00 178.31 176.46 1via h ARG 60 N 0.70 0.57 -0.64 1.11 2.47 -1.05 0.22 114.38 117.75 1via h ARG 60 Ca 0.20 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.77 1via h ARG 60 Cb -0.06 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 1via h ARG 60 CO -0.05 0.53 0.18 0.93 0.56 0.00 0.00 179.97 182.11 1via h GLU 61 N 0.56 1.00 -0.23 0.04 5.08 -0.71 -0.69 114.58 119.61 1via h GLU 61 Ca 0.13 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1via h GLU 61 Cb 0.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1via h GLU 61 CO -0.00 0.87 -0.46 1.96 -1.00 0.00 0.00 179.01 180.38 1via h GLN 62 N 0.96 0.60 -0.61 2.33 1.08 -0.42 -1.72 115.11 117.32 1via h GLN 62 Ca 0.21 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1via h GLN 62 Cb 0.31 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1via h GLN 62 CO -0.00 0.93 0.34 0.93 -0.95 0.00 0.00 178.83 180.07 1via h GLU 63 N 0.48 0.84 -0.19 1.46 5.08 -0.58 -2.28 114.58 119.39 1via h GLU 63 Ca 0.03 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1via h GLU 63 Cb 0.98 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1via h GLU 63 CO 0.09 0.62 -0.33 0.37 -1.00 0.00 0.00 179.01 178.76 1via h GLN 64 N 0.85 0.39 -0.76 2.33 5.75 -0.69 0.93 115.11 123.92 1via h GLN 64 Ca 0.22 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1via h GLN 64 Cb 0.02 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1via h GLN 64 CO -0.04 0.68 0.00 1.63 -2.65 0.00 0.00 178.83 178.45 1via n LYS 65 N -4.08 0.10 0.00 1.69 4.76 -0.69 -0.46 118.16 119.49 1via n LYS 65 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1via n LYS 65 Cb 0.44 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 1via n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1via n ALA 67 N 0.63 0.00 -0.24 7.82 0.00 0.32 -1.49 120.51 127.55 1via n ALA 67 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1via n ALA 67 Cb 0.03 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.56 1via n ALA 67 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1via h ASP 68 N 0.00 0.66 -0.53 0.00 3.32 -1.02 -1.51 116.42 117.33 1via h ASP 68 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1via h ASP 68 Cb 0.00 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1via h ASP 68 CO 0.00 0.45 0.35 0.15 -1.72 0.00 0.00 179.24 178.47 1via h PHE 69 N 0.79 0.67 0.00 4.55 3.57 -1.52 -2.65 116.94 122.35 1via h PHE 69 Ca 0.28 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 1via h PHE 69 Cb 0.05 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 1via h PHE 69 CO -0.05 0.42 -0.16 0.74 -2.23 0.00 0.00 178.31 177.02 1via h PHE 70 N 0.72 0.00 0.00 0.41 0.04 -1.74 -2.71 116.94 113.65 1via h PHE 70 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1via h PHE 70 Cb -0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1via h PHE 70 CO -0.04 0.16 0.00 0.66 -0.60 0.00 0.00 178.31 178.49 1via h SER 71 N 0.00 0.00 0.00 2.17 4.64 -0.90 -3.19 113.55 116.26 1via h SER 71 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1via h SER 71 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1via h SER 71 CO 0.02 0.00 -0.21 -1.54 -0.87 0.00 0.00 176.83 174.23 1via n SER 72 N -2.82 1.03 -4.85 4.97 3.41 -1.05 -4.79 113.62 109.53 1via n SER 72 Ca -0.00 -0.37 -0.28 0.00 -0.26 0.00 0.00 58.87 57.95 1via n SER 72 Cb 0.20 0.95 0.09 0.00 -0.26 0.00 0.00 64.21 65.19 1via n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1via s GLU 74 N -5.52 0.76 -1.07 0.00 -1.05 -1.26 -4.17 118.70 106.39 1via s GLU 74 Ca 0.62 -1.02 -0.06 0.00 -0.15 0.00 0.00 54.97 54.36 1via s GLU 74 Cb -0.10 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 1via s GLU 74 CO 0.48 -0.21 0.86 1.63 0.95 0.00 0.00 175.26 178.97 1via n LYS 75 N 0.04 -5.85 -4.41 -4.83 5.02 -0.80 -4.94 118.16 102.39 1via n LYS 75 Ca -0.15 0.65 -0.24 0.00 -2.02 0.00 0.00 58.31 56.55 1via n LYS 75 Cb 0.62 -5.12 -0.11 0.00 -0.02 0.00 0.00 35.03 30.40 1via n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1via s ALA 76 N -3.22 2.44 -0.24 7.82 0.00 -1.26 -2.52 121.76 124.79 1via s ALA 76 Ca 0.42 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1via s ALA 76 Cb -0.19 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1via s ALA 76 CO 0.53 0.29 -0.09 0.00 0.00 0.00 0.00 175.76 176.49 1via s ILE 78 N 1.30 2.92 -0.08 0.00 1.01 0.29 -1.14 121.20 125.50 1via s ILE 78 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1via s ILE 78 Cb -0.16 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1via s ILE 78 CO -0.06 0.51 0.07 0.00 0.00 0.00 0.00 174.94 175.46 1via s ALA 79 N 0.62 3.56 0.16 9.38 0.00 0.91 -0.19 121.76 136.19 1via s ALA 79 Ca -0.08 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1via s ALA 79 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1via s ALA 79 CO 0.03 0.62 -0.15 0.95 0.00 0.00 0.00 175.76 177.22 1via s THR 80 N -1.01 1.56 0.79 0.00 -4.23 -1.11 -1.32 115.64 110.32 1via s THR 80 Ca 0.16 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1via s THR 80 Cb -0.12 -1.80 0.07 0.00 1.34 0.00 0.00 72.50 71.99 1via s THR 80 CO 0.06 -0.49 1.10 -0.83 -0.54 0.00 0.00 174.62 173.92 1via s GLY 81 N -2.86 1.62 0.37 3.99 0.00 -1.26 -4.80 107.32 104.39 1via s GLY 81 Ca 0.16 -0.23 0.11 0.00 0.00 0.00 0.00 44.72 44.75 1via s GLY 81 CO 0.05 0.19 1.87 -1.33 0.00 0.00 0.00 173.10 173.88 1via h GLY 82 N -1.06 1.12 -1.22 0.20 0.00 -1.90 -1.39 103.07 98.82 1via h GLY 82 Ca -0.47 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1via h GLY 82 CO 0.60 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.82 1via n GLY 83 N -1.45 0.67 0.24 4.60 0.00 -1.26 -4.27 105.19 103.71 1via n GLY 83 Ca 0.17 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1via n GLY 83 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1via h PHE 84 N 2.68 0.00 -0.03 1.61 3.57 -1.60 -2.73 116.94 120.45 1via h PHE 84 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1via h PHE 84 Cb 0.59 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1via h PHE 84 CO 0.16 0.19 0.18 -0.24 -2.23 0.00 0.00 178.31 176.37 1via h VAL 85 N 0.00 0.06 -0.00 1.41 3.04 -1.76 -1.10 116.25 117.90 1via h VAL 85 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1via h VAL 85 Cb 0.53 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1via h VAL 85 CO 0.03 0.00 -0.00 0.59 -1.01 0.00 0.00 177.57 177.18 1via n ASN 86 N -3.09 0.00 -4.71 3.17 3.02 -1.03 -4.89 115.26 107.73 1via n ASN 86 Ca -0.02 -0.15 -0.33 0.00 -0.03 0.00 0.00 54.58 54.06 1via n ASN 86 Cb 0.25 -0.28 0.12 0.00 -0.61 0.00 0.00 39.78 39.25 1via n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1via s VAL 87 N -2.57 2.36 0.19 2.41 -7.23 -0.42 -4.96 120.40 110.18 1via s VAL 87 Ca 0.29 0.15 0.14 0.00 -1.81 0.00 0.00 61.98 60.75 1via s VAL 87 Cb 0.20 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1via s VAL 87 CO 0.46 -0.12 1.63 0.28 -0.31 0.00 0.00 175.10 177.04 1via h SER 88 N -0.89 0.00 -1.31 4.85 0.02 -1.90 -3.36 113.55 110.96 1via h SER 88 Ca -0.46 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.07 1via h SER 88 Cb 1.28 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 1via h SER 88 CO 0.47 0.54 -1.10 0.59 -1.14 0.00 0.00 176.83 176.19 1via n ASN 89 N -3.61 1.99 -0.15 3.07 4.13 -1.26 -4.91 115.26 114.52 1via n ASN 89 Ca -0.00 -2.96 0.06 0.00 1.68 0.00 0.00 54.58 53.35 1via n ASN 89 Cb 0.60 -0.54 0.37 0.00 -1.54 0.00 0.00 39.78 38.67 1via n ASN 89 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1via h LEU 90 N 2.93 0.63 -2.47 3.41 5.85 -1.93 -1.69 115.31 122.04 1via h LEU 90 Ca 0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1via h LEU 90 Cb 1.07 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1via h LEU 90 CO 0.57 0.42 0.01 1.05 -0.34 0.00 0.00 178.44 180.14 1via h GLU 91 N 0.72 0.00 0.00 1.25 9.09 -1.91 -0.80 114.58 122.94 1via h GLU 91 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 1via h GLU 91 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1via h GLU 91 CO -0.09 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.60 1via n LYS 92 N -3.84 0.23 0.21 1.06 5.02 -0.63 -3.31 118.16 116.90 1via n LYS 92 Ca -0.03 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.65 1via n LYS 92 Cb 0.09 -1.82 0.32 0.00 -0.02 0.00 0.00 35.03 33.60 1via n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1via h ALA 93 N 2.43 0.93 0.00 7.82 0.00 -1.23 -3.38 119.26 125.83 1via h ALA 93 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1via h ALA 93 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1via h ALA 93 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1via n GLY 94 N 0.61 0.75 3.62 0.00 0.00 -1.21 -4.23 105.19 104.74 1via n GLY 94 Ca 0.02 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1via n GLY 94 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1via s PHE 95 N -2.21 2.26 -0.21 1.61 5.36 -0.16 -4.79 117.98 119.83 1via s PHE 95 Ca 0.00 0.66 -0.17 0.00 -0.96 0.00 0.00 56.93 56.46 1via s PHE 95 Cb 0.00 -4.04 -0.04 0.00 -0.34 0.00 0.00 43.02 38.60 1via s PHE 95 CO 0.00 -2.47 0.45 0.00 -1.46 0.00 0.00 175.22 171.74 1via s ILE 97 N 1.60 3.49 -0.40 0.00 1.01 0.12 0.23 121.20 127.25 1via s ILE 97 Ca 0.21 -0.47 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1via s ILE 97 Cb -0.15 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1via s ILE 97 CO 0.09 0.39 0.66 -0.47 0.00 0.00 0.00 174.94 175.62 1via s TYR 98 N 1.49 3.10 -0.49 3.97 5.04 -0.30 -0.75 117.35 129.41 1via s TYR 98 Ca 0.06 0.19 -0.25 0.00 -2.44 0.00 0.00 57.07 54.62 1via s TYR 98 Cb -0.14 -3.30 0.03 0.00 0.35 0.00 0.00 41.96 38.90 1via s TYR 98 CO -0.02 -0.77 0.96 -0.51 -1.34 0.00 0.00 175.55 173.86 1via s LEU 99 N 2.85 3.98 -0.10 6.97 1.43 -0.32 -0.98 118.68 132.50 1via s LEU 99 Ca 0.25 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1via s LEU 99 Cb -0.14 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1via s LEU 99 CO 0.17 -1.13 -0.07 -0.75 0.23 0.00 0.00 176.35 174.80 1via s LYS 100 N 3.91 3.09 0.18 1.70 2.20 -0.01 -4.51 119.74 126.30 1via s LYS 100 Ca 0.36 -0.57 -0.20 0.00 -0.36 0.00 0.00 55.97 55.20 1via s LYS 100 Cb -0.10 -2.67 0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1via s LYS 100 CO 0.25 0.48 0.55 0.00 -0.36 0.00 0.00 175.35 176.26 1via s ALA 101 N -0.30 -1.25 0.63 3.13 0.00 -1.26 -1.13 121.76 121.58 1via s ALA 101 Ca 0.04 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 1via s ALA 101 Cb -0.13 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1via s ALA 101 CO 0.02 -0.78 1.06 0.16 0.00 0.00 0.00 175.76 176.22 1via s ASP 102 N -2.81 5.68 0.26 0.00 1.47 -1.26 -4.86 116.67 115.14 1via s ASP 102 Ca 0.05 1.74 -0.03 0.00 1.18 0.00 0.00 52.55 55.49 1via s ASP 102 Cb -0.01 -2.52 0.43 0.00 -0.34 0.00 0.00 42.92 40.48 1via s ASP 102 CO -0.08 -1.24 1.84 0.15 0.68 0.00 0.00 175.17 176.52 1via h PHE 103 N 0.06 1.02 -0.08 2.11 3.57 -2.01 -1.56 116.94 120.05 1via h PHE 103 Ca -0.46 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 1via h PHE 103 Cb 1.22 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1via h PHE 103 CO 0.60 0.45 -0.21 0.93 -2.23 0.00 0.00 178.31 177.85 1via h GLU 104 N 0.94 0.13 -0.14 1.11 5.08 -2.00 -0.59 114.58 119.12 1via h GLU 104 Ca 0.43 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.62 1via h GLU 104 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1via h GLU 104 CO -0.23 0.34 -0.45 -0.92 -1.00 0.00 0.00 179.01 176.75 1via h TYR 105 N 0.12 0.71 -0.08 4.33 5.03 -1.75 -3.32 116.97 122.01 1via h TYR 105 Ca 0.02 -0.29 -0.15 0.00 2.58 0.00 0.00 58.73 60.90 1via h TYR 105 Cb 0.45 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 1via h TYR 105 CO 0.00 1.05 -0.59 -0.07 -1.32 0.00 0.00 178.16 177.24 1via h LEU 106 N 0.17 0.30 -0.89 2.82 3.38 -0.94 -3.23 115.31 116.91 1via h LEU 106 Ca -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1via h LEU 106 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1via h LEU 106 CO 0.09 0.82 0.00 0.07 0.09 0.00 0.00 178.44 179.52 1via h LYS 107 N 0.20 0.00 -0.43 1.13 2.10 -1.21 -2.90 116.57 115.46 1via h LYS 107 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1via h LYS 107 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1via h LYS 107 CO 0.09 0.00 0.00 0.36 -2.00 0.00 0.00 179.45 177.90 1via n LYS 108 N -2.61 2.14 -4.03 0.07 2.85 -1.22 -4.92 118.16 110.44 1via n LYS 108 Ca 0.02 -1.75 -0.08 0.00 -1.05 0.00 0.00 58.31 55.44 1via n LYS 108 Cb 0.29 -1.41 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 1via n LYS 108 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1via s ARG 109 N -1.43 0.79 0.01 -1.58 1.70 -1.09 -5.16 118.95 112.19 1via s ARG 109 Ca 0.34 -1.20 -0.10 0.00 -0.47 0.00 0.00 55.73 54.31 1via s ARG 109 Cb 0.18 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1via s ARG 109 CO 0.25 -0.22 0.20 -0.48 -1.08 0.00 0.00 175.30 173.97 1via s LEU 110 N -2.94 1.33 0.12 -1.89 2.34 -1.26 -4.66 118.68 111.73 1via s LEU 110 Ca 0.11 -0.19 -0.07 0.00 0.06 0.00 0.00 54.13 54.04 1via s LEU 110 Cb 0.07 0.90 -0.06 0.00 -0.56 0.00 0.00 46.19 46.54 1via s LEU 110 CO -0.07 -0.45 0.40 -1.81 -1.06 0.00 0.00 176.35 173.36 1via s ASP 111 N -1.59 6.55 0.37 1.48 1.01 -1.26 -4.99 116.67 118.24 1via s ASP 111 Ca -0.12 0.69 0.13 0.00 0.71 0.00 0.00 52.55 53.96 1via s ASP 111 Cb -0.05 -2.13 0.93 0.00 1.01 0.00 0.00 42.92 42.68 1via s ASP 111 CO 0.01 0.09 1.82 0.50 0.21 0.00 0.00 175.17 177.79 1via h LYS 112 N 3.14 0.55 0.00 8.23 3.64 -2.03 -0.10 116.57 130.00 1via h LYS 112 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1via h LYS 112 Cb 1.18 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1via h LYS 112 CO 0.70 0.37 0.00 -0.40 -2.27 0.00 0.00 179.45 177.84 1via n ASP 113 N -4.61 0.21 -0.18 4.20 5.75 -1.26 -2.36 116.55 118.29 1via n ASP 113 Ca 0.21 0.56 0.12 0.00 -0.01 0.00 0.00 54.79 55.67 1via n ASP 113 Cb 0.65 -0.60 0.18 0.00 -1.03 0.00 0.00 41.12 40.32 1via n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1via n GLU 114 N -1.73 0.51 -0.33 0.11 1.02 -0.05 -4.26 120.64 115.92 1via n GLU 114 Ca 0.03 -0.36 0.07 0.00 -0.02 0.00 0.00 57.16 56.88 1via n GLU 114 Cb 0.16 -1.49 0.26 0.00 -0.02 0.00 0.00 31.44 30.35 1via n GLU 114 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1via h ILE 115 N 0.87 0.97 -0.01 -3.67 5.03 -1.55 -2.16 117.51 116.98 1via h ILE 115 Ca 0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1via h ILE 115 Cb 0.55 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 1via h ILE 115 CO 0.00 0.18 0.00 -1.54 -0.68 0.00 0.00 178.15 176.11 1via n SER 116 N -4.55 0.31 -0.05 1.72 3.41 -1.26 -4.08 113.62 109.12 1via n SER 116 Ca 0.17 -1.23 -0.13 0.00 -0.26 0.00 0.00 58.87 57.41 1via n SER 116 Cb 0.31 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.11 1via n SER 116 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1via n LYS 117 N -0.70 0.68 -3.81 4.33 5.02 -0.81 -1.59 118.16 121.28 1via n LYS 117 Ca 0.20 0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 56.60 1via n LYS 117 Cb 0.14 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1via n LYS 117 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1via s ARG 118 N -2.55 2.20 0.68 1.97 3.03 -1.25 -3.53 118.95 119.50 1via s ARG 118 Ca -0.15 -1.41 -0.17 0.00 2.03 0.00 0.00 55.73 56.03 1via s ARG 118 Cb 0.07 0.62 0.01 0.00 -1.03 0.00 0.00 34.95 34.62 1via s ARG 118 CO 0.78 -1.03 1.25 -2.14 -1.13 0.00 0.00 175.30 173.03 1via s PRO 119 N -2.31 2.38 0.14 3.89 0.02 -1.26 -4.87 135.00 132.98 1via s PRO 119 Ca 0.16 1.93 -0.18 0.00 0.02 0.00 0.00 61.00 62.92 1via s PRO 119 Cb -0.05 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 1via s PRO 119 CO 0.11 -1.69 1.77 1.25 -0.33 0.00 0.00 177.00 178.11 1via h LEU 120 N 0.19 0.20 -7.03 -5.54 5.85 -1.96 -3.24 115.31 103.78 1via h LEU 120 Ca -0.49 0.01 -0.76 0.00 0.84 0.00 0.00 57.88 57.48 1via h LEU 120 Cb 1.32 -0.03 -0.31 0.00 0.37 0.00 0.00 40.66 42.01 1via h LEU 120 CO 0.52 0.15 0.36 0.49 -0.34 0.00 0.00 178.44 179.62 1via n PHE 121 N -4.97 3.48 -0.96 1.25 3.72 -1.26 -5.06 117.46 113.65 1via n PHE 121 Ca -0.01 -3.38 -0.30 0.00 -0.05 0.00 0.00 57.45 53.71 1via n PHE 121 Cb 0.06 -1.23 0.17 0.00 -0.94 0.00 0.00 39.48 37.54 1via n PHE 121 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1via s TYR 122 N -2.17 1.98 -0.12 1.38 -0.85 -1.23 -4.92 117.35 111.42 1via s TYR 122 Ca 0.32 1.37 -0.29 0.00 -0.52 0.00 0.00 57.07 57.94 1via s TYR 122 Cb 0.01 -3.18 -0.04 0.00 0.38 0.00 0.00 41.96 39.13 1via s TYR 122 CO 0.01 -2.77 1.55 0.34 -1.52 0.00 0.00 175.55 173.16 1via s ASP 123 N -3.07 6.65 0.23 -0.18 -1.08 -1.26 -4.89 116.67 113.06 1via s ASP 123 Ca 0.65 1.94 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 1via s ASP 123 Cb -0.20 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 38.95 1via s ASP 123 CO 0.59 -0.98 1.58 -0.33 0.52 0.00 0.00 175.17 176.55 1via h GLU 124 N 9.55 0.47 0.04 4.34 5.08 -1.98 -1.16 114.58 130.91 1via h GLU 124 Ca -0.35 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1via h GLU 124 Cb 1.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1via h GLU 124 CO 0.97 0.84 -0.02 0.82 -1.00 0.00 0.00 179.01 180.62 1via h ILE 125 N 0.37 1.13 -0.69 3.13 1.08 -2.00 -0.91 117.51 119.64 1via h ILE 125 Ca 0.02 -0.56 -0.04 0.00 -0.39 0.00 0.00 64.86 63.90 1via h ILE 125 Cb 0.97 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 1via h ILE 125 CO 0.09 0.14 0.28 0.11 -0.69 0.00 0.00 178.15 178.07 1via h LYS 126 N -0.30 1.03 -0.68 2.37 1.79 -1.97 -2.21 116.57 116.60 1via h LYS 126 Ca -0.01 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 1via h LYS 126 Cb 0.27 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1via h LYS 126 CO 0.01 0.85 0.20 0.00 -1.08 0.00 0.00 179.45 179.44 1via h ALA 127 N 1.12 0.90 -0.56 3.86 0.00 -1.16 -1.86 119.26 121.57 1via h ALA 127 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1via h ALA 127 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1via h ALA 127 CO -0.02 0.58 0.05 -0.22 0.00 0.00 0.00 179.25 179.64 1via h LYS 128 N 1.00 0.92 -0.57 0.00 3.64 -0.83 0.14 116.57 120.87 1via h LYS 128 Ca 0.22 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1via h LYS 128 Cb 0.31 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1via h LYS 128 CO -0.01 0.88 0.29 -0.22 -2.27 0.00 0.00 179.45 178.12 1via h LYS 129 N 0.86 0.82 -0.45 1.90 3.64 -1.17 0.04 116.57 122.20 1via h LYS 129 Ca 0.17 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1via h LYS 129 Cb 0.44 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1via h LYS 129 CO 0.02 0.65 0.06 1.25 -2.27 0.00 0.00 179.45 179.15 1via h LEU 130 N 0.78 0.73 -0.15 5.20 5.85 -1.03 -1.74 115.31 124.94 1via h LEU 130 Ca 0.20 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1via h LEU 130 Cb 0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1via h LEU 130 CO -0.03 0.82 -0.04 0.22 -0.34 0.00 0.00 178.44 179.07 1via h TYR 131 N 0.62 -0.09 -0.44 1.25 3.20 -0.41 -2.09 116.97 119.00 1via h TYR 131 Ca 0.13 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1via h TYR 131 Cb 0.41 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1via h TYR 131 CO 0.03 -0.07 0.17 -0.91 -1.64 0.00 0.00 178.16 175.74 1via h ASN 132 N -0.01 0.57 0.28 -2.11 2.35 -0.78 -2.07 115.58 113.81 1via h ASN 132 Ca 0.07 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1via h ASN 132 Cb 0.12 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1via h ASN 132 CO -0.16 0.53 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.44 1via h GLU 133 N 0.63 0.14 0.00 0.81 5.08 -0.98 -3.22 114.58 117.04 1via h GLU 133 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1via h GLU 133 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1via h GLU 133 CO -0.01 0.50 -0.63 0.00 -1.00 0.00 0.00 179.01 177.87 1via h ARG 134 N 0.12 0.00 -0.62 2.33 3.08 -0.70 -3.40 114.38 115.19 1via h ARG 134 Ca 0.01 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.13 1via h ARG 134 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 1via h ARG 134 CO 0.05 0.00 0.31 -0.07 -1.07 0.00 0.00 179.97 179.20 1via h LEU 135 N 0.00 0.43 -1.47 3.04 3.38 -1.46 -1.48 115.31 117.74 1via h LEU 135 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1via h LEU 135 Cb 0.77 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1via h LEU 135 CO 0.00 0.27 0.35 0.77 0.09 0.00 0.00 178.44 179.92 1via h SER 136 N 0.57 0.61 -0.14 -0.43 4.64 -1.81 -0.60 113.55 116.40 1via h SER 136 Ca 0.29 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.53 1via h SER 136 Cb 0.24 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1via h SER 136 CO -0.21 0.45 -0.15 0.11 -0.87 0.00 0.00 176.83 176.15 1via h LYS 137 N 0.72 0.34 -0.34 4.77 1.57 -1.59 0.10 116.57 122.15 1via h LYS 137 Ca 0.19 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1via h LYS 137 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1via h LYS 137 CO -0.04 0.74 0.18 1.88 -0.57 0.00 0.00 179.45 181.64 1via h TYR 138 N -0.04 0.33 -0.37 -1.35 0.05 -0.96 -1.16 116.97 113.47 1via h TYR 138 Ca 0.02 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1via h TYR 138 Cb 0.69 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1via h TYR 138 CO 0.09 0.19 0.22 0.93 -1.05 0.00 0.00 178.16 178.53 1via h GLU 139 N 0.37 0.51 -0.09 4.88 5.08 -1.05 -2.50 114.58 121.78 1via h GLU 139 Ca 0.14 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1via h GLU 139 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1via h GLU 139 CO -0.09 0.39 -0.49 -0.56 -1.00 0.00 0.00 179.01 177.26 1via h GLN 140 N 0.48 0.24 0.00 2.33 3.07 -0.77 -3.19 115.11 117.28 1via h GLN 140 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1via h GLN 140 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1via h GLN 140 CO -0.02 0.68 -0.53 1.63 0.09 0.00 0.00 178.83 180.68 1via n LYS 141 N -3.96 0.01 -2.33 0.06 5.02 -0.46 -4.92 118.16 111.59 1via n LYS 141 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 1via n LYS 141 Cb 0.54 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1via n LYS 141 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1via s ALA 142 N -3.01 3.29 -0.12 7.82 0.00 -0.94 -4.72 121.76 124.08 1via s ALA 142 Ca 0.11 0.99 0.20 0.00 0.00 0.00 0.00 51.96 53.25 1via s ALA 142 Cb 0.17 -3.38 -0.22 0.00 0.00 0.00 0.00 23.12 19.70 1via s ALA 142 CO 0.71 -0.42 0.56 0.09 0.00 0.00 0.00 175.76 176.69 1via n ASN 143 N 0.54 0.36 -3.70 0.00 4.13 0.13 -4.88 115.26 111.84 1via n ASN 143 Ca 0.02 0.15 -0.12 0.00 1.68 0.00 0.00 54.58 56.31 1via n ASN 143 Cb 0.45 1.02 -0.13 0.00 -1.54 0.00 0.00 39.78 39.59 1via n ASN 143 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1via s PHE 144 N -3.08 -0.41 -0.24 3.10 5.36 -0.74 -4.99 117.98 116.99 1via s PHE 144 Ca -0.06 0.93 -0.09 0.00 -0.96 0.00 0.00 56.93 56.75 1via s PHE 144 Cb 0.10 0.06 -0.04 0.00 -0.34 0.00 0.00 43.02 42.80 1via s PHE 144 CO 0.85 -0.29 0.12 0.42 -1.46 0.00 0.00 175.22 174.85 1via s ILE 145 N 1.68 4.93 -0.30 3.12 1.01 -1.26 -1.15 121.20 129.23 1via s ILE 145 Ca -0.06 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1via s ILE 145 Cb -0.11 -3.29 0.08 0.00 0.01 0.00 0.00 42.46 39.15 1via s ILE 145 CO -0.09 0.35 -0.01 -0.22 0.00 0.00 0.00 174.94 174.96 1via s LEU 146 N 1.19 3.83 -0.02 2.97 2.96 -0.15 -4.97 118.68 124.49 1via s LEU 146 Ca 0.06 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 51.94 1via s LEU 146 Cb -0.14 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1via s LEU 146 CO 0.05 -0.30 1.48 0.21 -1.32 0.00 0.00 176.35 176.47 1via s ASN 147 N 1.09 6.78 0.00 3.68 3.84 -1.26 -0.83 114.94 128.24 1via s ASN 147 Ca 0.02 2.15 0.25 0.00 0.21 0.00 0.00 52.86 55.49 1via s ASN 147 Cb -0.19 -2.55 0.47 0.00 -0.55 0.00 0.00 41.25 38.43 1via s ASN 147 CO -0.08 -0.80 1.42 2.30 -2.79 0.00 0.00 177.10 177.15 1via n ILE 148 N 4.95 0.00 -1.94 -5.21 -5.35 -0.28 -4.88 119.36 106.65 1via n ILE 148 Ca 0.15 -0.39 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 1via n ILE 148 Cb 0.43 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 1via n ILE 148 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1via s GLU 149 N -2.04 4.22 -1.58 6.28 2.02 -1.26 -2.52 118.70 123.81 1via s GLU 149 Ca 0.31 2.37 -0.03 0.00 0.02 0.00 0.00 54.97 57.63 1via s GLU 149 Cb 0.20 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 31.30 1via s GLU 149 CO 0.33 -0.58 0.33 0.09 0.02 0.00 0.00 175.26 175.46 1via n ASN 150 N 3.59 -5.68 -4.24 -0.19 5.03 -1.26 -4.99 115.26 107.52 1via n ASN 150 Ca 0.12 -0.16 -0.31 0.00 0.87 0.00 0.00 54.58 55.11 1via n ASN 150 Cb 0.39 -4.66 -0.16 0.00 -1.02 0.00 0.00 39.78 34.32 1via n ASN 150 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1via s LYS 151 N -5.44 2.50 0.78 3.52 1.02 -1.05 -5.14 119.74 115.93 1via s LYS 151 Ca 0.18 -0.85 -0.10 0.00 0.02 0.00 0.00 55.97 55.22 1via s LYS 151 Cb -0.08 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.23 1via s LYS 151 CO 0.22 0.32 1.13 0.54 -0.92 0.00 0.00 175.35 176.64 1via s ASN 152 N -0.04 4.59 0.29 2.83 2.20 -1.26 -4.87 114.94 118.68 1via s ASN 152 Ca -0.06 0.68 -0.00 0.00 -0.94 0.00 0.00 52.86 52.54 1via s ASN 152 Cb -0.14 -1.22 0.49 0.00 -2.00 0.00 0.00 41.25 38.38 1via s ASN 152 CO 0.04 -1.82 1.91 -0.29 -2.94 0.00 0.00 177.10 174.00 1via h ILE 153 N -0.92 1.08 -0.69 0.54 2.10 -1.99 -1.31 117.51 116.31 1via h ILE 153 Ca -0.46 -0.37 -0.03 0.00 1.08 0.00 0.00 64.86 65.08 1via h ILE 153 Cb 1.33 -0.09 -0.03 0.00 -1.09 0.00 0.00 36.82 36.93 1via h ILE 153 CO 0.64 0.20 0.31 0.44 -1.08 0.00 0.00 178.15 178.66 1via h ASP 154 N 1.08 0.93 -0.55 2.19 3.32 -1.99 0.29 116.42 121.68 1via h ASP 154 Ca 0.40 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1via h ASP 154 Cb 0.18 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1via h ASP 154 CO -0.15 0.82 0.21 -0.33 -1.72 0.00 0.00 179.24 178.06 1via h GLU 155 N 0.97 0.83 -0.41 3.56 5.08 -1.66 -1.59 114.58 121.37 1via h GLU 155 Ca 0.24 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1via h GLU 155 Cb 0.16 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1via h GLU 155 CO -0.03 0.74 0.12 -0.07 -1.00 0.00 0.00 179.01 178.77 1via h LEU 156 N 0.76 0.61 -0.92 1.33 3.38 -0.97 -2.03 115.31 117.47 1via h LEU 156 Ca 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1via h LEU 156 Cb 0.23 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1via h LEU 156 CO -0.01 0.66 0.56 -0.07 0.09 0.00 0.00 178.44 179.67 1via h LEU 157 N 0.53 1.10 -0.56 1.67 3.38 -0.80 -1.64 115.31 118.98 1via h LEU 157 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1via h LEU 157 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1via h LEU 157 CO -0.00 0.84 0.32 -1.28 0.09 0.00 0.00 178.44 178.41 1via h SER 158 N 1.26 0.69 -0.53 -0.43 0.87 -1.07 0.60 113.55 114.94 1via h SER 158 Ca 0.33 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1via h SER 158 Cb -0.06 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1via h SER 158 CO -0.06 0.57 0.13 -0.33 -0.53 0.00 0.00 176.83 176.60 1via h GLU 159 N 0.75 0.84 -0.28 2.24 5.08 -0.99 -1.88 114.58 120.34 1via h GLU 159 Ca 0.20 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1via h GLU 159 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1via h GLU 159 CO -0.03 0.80 -0.01 0.82 -1.00 0.00 0.00 179.01 179.58 1via h ILE 160 N 0.74 1.26 -0.72 3.13 2.04 -1.11 -1.79 117.51 121.06 1via h ILE 160 Ca 0.17 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.11 1via h ILE 160 Cb 0.33 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1via h ILE 160 CO 0.00 0.31 0.44 0.11 0.00 0.00 0.00 178.15 179.01 1via h LYS 161 N 0.28 0.82 -0.73 2.37 1.57 -0.80 0.74 116.57 120.83 1via h LYS 161 Ca 0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1via h LYS 161 Cb 0.45 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1via h LYS 161 CO 0.02 0.55 0.48 -0.22 -0.57 0.00 0.00 179.45 179.70 1via h LYS 162 N 0.85 0.95 -0.22 3.15 1.63 -1.24 -2.22 116.57 119.48 1via h LYS 162 Ca 0.30 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1via h LYS 162 Cb 0.07 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1via h LYS 162 CO -0.13 0.63 -0.31 0.28 -3.45 0.00 0.00 179.45 176.47 1via h VAL 163 N 0.98 1.28 -0.66 2.00 2.07 -0.38 -3.15 116.25 118.38 1via h VAL 163 Ca 0.27 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1via h VAL 163 Cb -0.10 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1via h VAL 163 CO -0.06 0.43 0.18 0.40 0.02 0.00 0.00 177.57 178.53 1via h ILE 164 N 0.39 1.26 0.00 4.57 2.04 -0.30 -3.51 117.51 121.95 1via h ILE 164 Ca 0.05 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1via h ILE 164 Cb 0.74 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1via h ILE 164 CO 0.06 0.35 0.00 2.29 0.00 0.00 0.00 178.15 180.85