#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juo n ASN 9 N 0.00 5.64 -4.91 -1.84 5.15 -1.26 -4.84 115.26 113.19 3juo n ASN 9 Ca 0.00 -3.16 -0.28 0.00 -0.60 0.00 0.00 54.58 50.55 3juo n ASN 9 Cb 0.00 -1.44 -0.03 0.00 -0.53 0.00 0.00 39.78 37.78 3juo n ASN 9 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3juo s THR 10 N -0.22 5.08 0.48 -0.44 -4.23 -1.26 -5.03 115.64 110.02 3juo s THR 10 Ca 0.40 -0.09 0.26 0.00 -1.18 0.00 0.00 61.69 61.09 3juo s THR 10 Cb 0.10 -3.74 0.30 0.00 1.34 0.00 0.00 72.50 70.50 3juo s THR 10 CO 0.00 -0.31 2.13 0.77 -0.54 0.00 0.00 174.62 176.68 3juo h SER 11 N 1.67 0.00 -0.16 3.99 4.64 -1.99 -1.54 113.55 120.17 3juo h SER 11 Ca -0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 3juo h SER 11 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3juo h SER 11 CO 0.66 0.08 -0.60 -0.33 -0.87 0.00 0.00 176.83 175.77 3juo h GLU 12 N 0.00 0.69 0.00 4.77 4.39 -1.97 -0.97 114.58 121.49 3juo h GLU 12 Ca -0.00 -0.53 -0.07 0.00 0.34 0.00 0.00 59.36 59.10 3juo h GLU 12 Cb 0.20 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3juo h GLU 12 CO 0.01 1.14 -0.33 -0.91 -1.16 0.00 0.00 179.01 177.77 3juo h ASN 13 N 0.37 0.00 -0.34 1.42 2.35 -1.82 -1.72 115.58 115.84 3juo h ASN 13 Ca -0.03 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 3juo h ASN 13 Cb 1.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 3juo h ASN 13 CO 0.13 0.33 -0.41 0.03 -1.65 0.00 0.00 177.43 175.86 3juo h ARG 14 N 0.00 0.87 0.12 0.81 3.08 -1.13 -1.78 114.38 116.35 3juo h ARG 14 Ca -0.00 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3juo h ARG 14 Cb 0.85 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3juo h ARG 14 CO 0.04 1.13 -0.06 0.00 -1.07 0.00 0.00 179.97 180.02 3juo h ALA 15 N 0.73 -0.16 -0.49 0.04 0.00 -1.03 0.17 119.26 118.52 3juo h ALA 15 Ca 0.04 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3juo h ALA 15 Cb 1.01 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3juo h ALA 15 CO 0.10 -0.54 -0.06 1.96 0.00 0.00 0.00 179.25 180.71 3juo h GLN 16 N -0.26 0.05 -0.11 0.00 4.20 -1.35 -0.08 115.11 117.56 3juo h GLN 16 Ca -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3juo h GLN 16 Cb 0.21 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3juo h GLN 16 CO 0.03 0.04 0.05 0.28 -0.67 0.00 0.00 178.83 178.56 3juo h VAL 17 N 0.06 1.12 -0.24 -0.54 2.07 -1.20 -0.20 116.25 117.31 3juo h VAL 17 Ca 0.24 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3juo h VAL 17 Cb 0.37 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 3juo h VAL 17 CO -0.45 0.11 -0.55 0.00 0.02 0.00 0.00 177.57 176.69 3juo h ALA 18 N 0.93 -0.85 -0.71 1.67 0.00 -0.26 -0.64 119.26 119.39 3juo h ALA 18 Ca 0.04 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3juo h ALA 18 Cb 0.12 1.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3juo h ALA 18 CO -0.00 -1.08 0.34 0.00 0.00 0.00 0.00 179.25 178.51 3juo h ALA 19 N -0.21 0.99 -0.48 0.00 0.00 -0.94 -0.47 119.26 118.14 3juo h ALA 19 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3juo h ALA 19 Cb 0.64 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3juo h ALA 19 CO -0.50 -0.07 0.23 -0.09 0.00 0.00 0.00 179.25 178.82 3juo h ARG 20 N 0.57 0.44 -0.62 0.00 2.43 -0.72 0.16 114.38 116.63 3juo h ARG 20 Ca 0.36 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 3juo h ARG 20 Cb 0.40 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3juo h ARG 20 CO -0.29 0.29 0.08 1.96 -1.51 0.00 0.00 179.97 180.50 3juo h GLN 21 N 0.45 1.05 -0.16 0.20 4.20 0.11 -0.78 115.11 120.19 3juo h GLN 21 Ca 0.21 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 3juo h GLN 21 Cb 0.13 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3juo h GLN 21 CO -0.16 0.98 -0.10 1.25 -0.67 0.00 0.00 178.83 180.13 3juo h HIS 22 N 0.96 0.41 -0.65 2.96 -0.00 -0.87 -2.75 115.15 115.21 3juo h HIS 22 Ca 0.19 -0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.48 3juo h HIS 22 Cb 0.46 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 3juo h HIS 22 CO 0.03 0.69 0.39 -0.91 -0.00 0.00 0.00 177.93 178.13 3juo h ASN 23 N 0.01 0.62 -0.78 3.26 2.35 -0.51 -2.33 115.58 118.20 3juo h ASN 23 Ca 0.03 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3juo h ASN 23 Cb 0.60 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.78 3juo h ASN 23 CO 0.03 0.42 0.45 -0.09 -1.65 0.00 0.00 177.43 176.59 3juo h ARG 24 N 0.75 0.76 -0.46 0.81 2.43 -1.13 -0.94 114.38 116.60 3juo h ARG 24 Ca 0.27 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3juo h ARG 24 Cb 0.07 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3juo h ARG 24 CO -0.13 0.50 0.06 0.87 -1.51 0.00 0.00 179.97 179.76 3juo h LYS 25 N 0.78 0.72 -0.71 0.20 1.57 -1.12 -1.42 116.57 116.59 3juo h LYS 25 Ca 0.36 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3juo h LYS 25 Cb 0.28 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3juo h LYS 25 CO -0.22 0.69 0.19 0.82 -0.57 0.00 0.00 179.45 180.36 3juo h ILE 26 N 0.69 1.26 -0.62 1.86 1.08 -0.91 -1.01 117.51 119.85 3juo h ILE 26 Ca 0.15 -0.94 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3juo h ILE 26 Cb 0.34 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 3juo h ILE 26 CO 0.01 0.37 0.32 0.58 -0.69 0.00 0.00 178.15 178.73 3juo h VAL 27 N 1.07 1.21 -0.68 1.67 2.07 -0.72 -0.24 116.25 120.63 3juo h VAL 27 Ca 0.23 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3juo h VAL 27 Cb 0.35 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3juo h VAL 27 CO -0.00 0.24 0.12 -0.33 0.02 0.00 0.00 177.57 177.61 3juo h GLU 28 N 0.85 1.11 -0.43 1.57 5.08 -1.03 -0.78 114.58 120.95 3juo h GLU 28 Ca 0.22 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3juo h GLU 28 Cb 0.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3juo h GLU 28 CO -0.03 1.01 0.14 0.37 -1.00 0.00 0.00 179.01 179.50 3juo h GLN 29 N 1.04 0.67 -0.45 2.33 4.15 -0.85 -1.79 115.11 120.20 3juo h GLN 29 Ca 0.21 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.51 3juo h GLN 29 Cb 0.43 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3juo h GLN 29 CO 0.01 0.65 0.25 -0.92 -1.93 0.00 0.00 178.83 176.89 3juo h TYR 30 N 0.55 0.46 0.00 3.99 3.20 -0.62 -1.91 116.97 122.64 3juo h TYR 30 Ca 0.14 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 3juo h TYR 30 Cb 0.26 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3juo h TYR 30 CO 0.01 0.25 -0.38 0.52 -1.64 0.00 0.00 178.16 176.92 3juo h MET 31 N 0.49 0.00 -0.40 1.82 2.86 -0.91 -2.85 114.93 115.94 3juo h MET 31 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3juo h MET 31 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3juo h MET 31 CO -0.11 0.38 0.00 0.72 1.06 0.00 0.00 176.91 178.96 3juo n HIS 32 N -3.44 0.52 -2.44 -0.22 8.25 -0.69 -4.56 115.22 112.64 3juo n HIS 32 Ca 0.00 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.78 3juo n HIS 32 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 3juo n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3juo s THR 33 N -1.48 4.16 0.07 1.59 2.01 -0.76 -5.01 115.64 116.22 3juo s THR 33 Ca 0.39 1.52 0.01 0.00 0.31 0.00 0.00 61.69 63.92 3juo s THR 33 Cb 0.22 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3juo s THR 33 CO 0.31 0.06 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.11 3juo s ARG 34 N 1.66 0.71 5.63 4.92 0.52 -1.26 -4.83 118.95 126.29 3juo s ARG 34 Ca 0.57 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3juo s ARG 34 Cb -0.27 -0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.16 3juo s ARG 34 CO 0.26 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.94 3juo n GLY 35 N 0.19 2.96 0.26 -3.53 0.00 -1.26 -2.87 105.19 100.95 3juo n GLY 35 Ca -0.14 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3juo n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3juo h GLU 36 N 0.00 0.00 0.00 1.61 5.08 -1.99 -1.83 114.58 117.45 3juo h GLU 36 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3juo h GLU 36 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3juo h GLU 36 CO 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 3juo h ALA 37 N 1.97 1.00 -0.28 3.43 0.00 -1.94 -1.45 119.26 121.99 3juo h ALA 37 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3juo h ALA 37 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3juo h ALA 37 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.50 3juo h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.46 -0.96 114.38 115.04 3juo h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3juo h ARG 38 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3juo h ARG 38 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.83 3juo h LEU 39 N 0.00 0.00 -1.51 3.04 3.38 -1.48 -2.96 115.31 115.78 3juo h LEU 39 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3juo h LEU 39 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3juo h LEU 39 CO -0.00 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 178.71 3juo n LYS 40 N -2.79 1.65 0.30 1.13 5.02 -0.38 -4.59 118.16 118.49 3juo n LYS 40 Ca 0.02 -1.43 0.16 0.00 -2.02 0.00 0.00 58.31 55.03 3juo n LYS 40 Cb 0.32 -1.37 0.92 0.00 -0.02 0.00 0.00 35.03 34.88 3juo n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3juo h ARG 41 N 3.30 0.00 0.00 1.97 2.43 -1.33 -2.02 114.38 118.73 3juo h ARG 41 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3juo h ARG 41 Cb 0.76 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3juo h ARG 41 CO 0.00 0.03 -0.01 1.12 -1.51 0.00 0.00 179.97 179.59 3juo h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.81 -1.15 115.15 116.46 3juo h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3juo h HIS 42 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 3juo h HIS 42 CO 0.00 0.01 0.00 1.28 -3.07 0.00 0.00 177.93 176.15 3juo n LEU 43 N -3.22 0.00 -0.05 6.12 4.77 -0.76 -2.25 117.00 121.62 3juo n LEU 43 Ca -0.02 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 3juo n LEU 43 Cb 0.13 -0.50 0.49 0.00 -2.33 0.00 0.00 43.42 41.21 3juo n LEU 43 CO 0.23 -0.29 0.76 0.18 -1.33 0.00 0.00 177.39 176.94 3juo n LEU 44 N -1.50 0.37 -4.95 2.23 4.77 -0.43 -4.89 117.00 112.59 3juo n LEU 44 Ca 0.03 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 3juo n LEU 44 Cb 0.14 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3juo n LEU 44 CO 0.11 0.08 0.07 -0.36 -1.33 0.00 0.00 177.39 175.96 3juo s PHE 45 N -2.78 3.48 0.78 -1.77 0.08 -0.95 -0.84 117.98 115.97 3juo s PHE 45 Ca 0.19 0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.32 3juo s PHE 45 Cb 0.19 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 3juo s PHE 45 CO 0.56 0.28 1.08 0.95 -0.10 0.00 0.00 175.22 178.00 3juo s THR 46 N -2.13 3.33 0.28 0.64 -4.23 -0.11 -4.73 115.64 108.69 3juo s THR 46 Ca 0.37 0.43 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 3juo s THR 46 Cb -0.09 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 70.97 3juo s THR 46 CO 0.32 -0.57 1.71 -0.08 -0.54 0.00 0.00 174.62 175.47 3juo h GLU 47 N -1.08 0.44 -0.62 3.99 4.81 -1.95 -0.44 114.58 119.72 3juo h GLU 47 Ca -0.46 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 3juo h GLU 47 Cb 1.24 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 3juo h GLU 47 CO 0.55 0.29 0.13 -0.40 -0.73 0.00 0.00 179.01 178.85 3juo n ASP 48 N -5.00 5.06 -4.73 1.04 3.85 -1.26 -1.98 116.55 113.52 3juo n ASP 48 Ca 0.21 -3.11 -0.35 0.00 -0.71 0.00 0.00 54.79 50.83 3juo n ASP 48 Cb 0.61 -0.70 0.08 0.00 -1.35 0.00 0.00 41.12 39.76 3juo n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3juo s GLY 49 N -1.07 2.45 -0.02 6.12 0.00 -0.17 -4.33 107.32 110.29 3juo s GLY 49 Ca 0.54 0.93 0.05 0.00 0.00 0.00 0.00 44.72 46.23 3juo s GLY 49 CO 0.14 1.33 -0.15 0.14 0.00 0.00 0.00 173.10 174.56 3juo s VAL 50 N -1.88 1.22 0.22 1.40 1.01 -0.57 0.63 120.40 122.44 3juo s VAL 50 Ca 0.75 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3juo s VAL 50 Cb -0.30 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3juo s VAL 50 CO 0.43 0.35 0.15 -0.83 0.00 0.00 0.00 175.10 175.20 3juo s GLY 51 N -0.27 1.56 0.00 4.51 0.00 -0.87 -0.29 107.32 111.96 3juo s GLY 51 Ca 0.04 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.01 3juo s GLY 51 CO -0.00 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.29 3juo n GLY 52 N -0.32 0.78 3.43 0.20 0.00 -1.13 -1.50 105.19 106.65 3juo n GLY 52 Ca 0.03 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 3juo n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3juo s LEU 53 N 0.00 3.34 0.00 0.99 2.96 -0.75 -1.56 118.68 123.66 3juo s LEU 53 Ca 0.00 -0.23 0.23 0.00 -0.22 0.00 0.00 54.13 53.91 3juo s LEU 53 Cb 0.00 -1.88 0.18 0.00 0.50 0.00 0.00 46.19 44.99 3juo s LEU 53 CO 0.00 -0.01 1.19 0.79 -1.32 0.00 0.00 176.35 176.99 3juo n TRP 54 N 4.78 0.00 -3.95 5.38 8.01 0.00 -0.21 117.44 131.45 3juo n TRP 54 Ca -0.17 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.72 3juo n TRP 54 Cb 0.51 -0.11 -0.15 0.00 -2.01 0.00 0.00 31.31 29.55 3juo n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3juo s THR 55 N -2.90 1.85 0.33 -0.99 -4.23 -1.25 -4.50 115.64 103.96 3juo s THR 55 Ca 0.12 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 3juo s THR 55 Cb 0.17 -2.32 -0.07 0.00 1.34 0.00 0.00 72.50 71.62 3juo s THR 55 CO 0.74 -0.53 0.02 0.42 -0.54 0.00 0.00 174.62 174.73 3juo s THR 56 N 1.14 1.49 0.43 3.99 -4.23 -1.26 -4.67 115.64 112.52 3juo s THR 56 Ca 0.08 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.70 3juo s THR 56 Cb -0.19 -2.77 0.17 0.00 1.34 0.00 0.00 72.50 71.05 3juo s THR 56 CO -0.12 -0.07 1.96 -2.24 -0.54 0.00 0.00 174.62 173.61 3juo h ASP 57 N 2.07 0.01 0.76 3.99 3.04 -1.96 -2.74 116.42 121.60 3juo h ASP 57 Ca -0.41 -0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.28 3juo h ASP 57 Cb 1.24 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.51 3juo h ASP 57 CO 0.72 0.22 -0.46 0.77 -2.04 0.00 0.00 179.24 178.45 3juo h SER 58 N 0.01 0.00 0.00 4.15 4.64 -2.01 -3.46 113.55 116.87 3juo h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3juo h SER 58 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3juo h SER 58 CO 0.03 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 3juo n GLY 59 N 0.23 0.76 3.63 -0.77 0.00 -1.03 -5.06 105.19 102.95 3juo n GLY 59 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3juo n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juo s GLN 60 N -0.72 3.00 0.29 1.61 -1.52 -1.26 -4.91 119.66 116.15 3juo s GLN 60 Ca 0.00 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 3juo s GLN 60 Cb 0.00 -2.75 -0.12 0.00 -0.22 0.00 0.00 33.01 29.92 3juo s GLN 60 CO 0.00 0.63 1.50 -2.30 -0.25 0.00 0.00 175.29 174.88 3juo n PRO 61 N 2.34 2.44 -2.76 2.91 -0.02 -1.26 -4.58 135.00 134.07 3juo n PRO 61 Ca -0.18 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 3juo n PRO 61 Cb 0.53 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 3juo n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3juo s ILE 62 N -0.20 4.30 -0.28 4.25 1.01 0.70 -4.98 121.20 126.01 3juo s ILE 62 Ca 0.64 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 60.29 3juo s ILE 62 Cb -0.55 -4.86 -0.03 0.00 0.01 0.00 0.00 42.46 37.02 3juo s ILE 62 CO 0.51 -1.67 0.15 0.00 0.00 0.00 0.00 174.94 173.93 3juo s ALA 63 N 3.96 3.37 -0.26 9.38 0.00 -1.26 -1.81 121.76 135.13 3juo s ALA 63 Ca 0.35 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 3juo s ALA 63 Cb -0.06 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3juo s ALA 63 CO -0.04 -0.61 0.31 0.42 0.00 0.00 0.00 175.76 175.84 3juo s ILE 64 N 1.69 5.23 -0.16 0.00 1.01 -0.56 -4.96 121.20 123.44 3juo s ILE 64 Ca 0.06 0.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 3juo s ILE 64 Cb -0.16 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3juo s ILE 64 CO 0.08 0.21 0.01 -0.13 0.00 0.00 0.00 174.94 175.11 3juo s ARG 65 N 1.80 3.74 0.00 2.79 0.52 -1.26 -2.05 118.95 124.49 3juo s ARG 65 Ca 0.13 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3juo s ARG 65 Cb -0.15 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.28 3juo s ARG 65 CO 0.09 0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.13 3juo n GLY 66 N 3.38 -0.27 0.15 -3.53 0.00 0.21 -4.46 105.19 100.66 3juo n GLY 66 Ca -0.17 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 3juo n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3juo h ARG 67 N 0.00 0.19 -0.31 1.61 2.43 -1.57 -0.36 114.38 116.37 3juo h ARG 67 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3juo h ARG 67 Cb 0.00 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3juo h ARG 67 CO 0.00 0.12 0.11 0.93 -1.51 0.00 0.00 179.97 179.63 3juo h GLU 68 N 0.19 0.25 -0.30 0.20 5.08 -1.89 0.27 114.58 118.38 3juo h GLU 68 Ca 0.16 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3juo h GLU 68 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3juo h GLU 68 CO -0.21 0.16 -0.06 0.87 -1.00 0.00 0.00 179.01 178.77 3juo h LYS 69 N 0.25 0.47 -0.50 2.33 6.56 -1.72 0.35 116.57 124.31 3juo h LYS 69 Ca 0.13 -0.11 -0.13 0.00 -1.06 0.00 0.00 60.65 59.48 3juo h LYS 69 Cb 0.09 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 3juo h LYS 69 CO -0.13 0.54 -0.19 -0.07 -2.06 0.00 0.00 179.45 177.54 3juo h LEU 70 N 0.45 1.04 -0.48 2.94 3.38 -0.54 -1.20 115.31 120.89 3juo h LEU 70 Ca 0.09 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3juo h LEU 70 Cb 0.39 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3juo h LEU 70 CO 0.02 1.19 0.16 1.23 0.09 0.00 0.00 178.44 181.13 3juo h GLY 71 N 0.88 0.63 0.88 0.83 0.00 0.28 0.02 103.07 106.59 3juo h GLY 71 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3juo h GLY 71 CO 0.06 0.01 -0.08 0.83 0.00 0.00 0.00 176.54 177.36 3juo h GLU 72 N 0.33 0.55 -0.11 4.80 5.08 -0.72 -2.87 114.58 121.64 3juo h GLU 72 Ca 0.23 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3juo h GLU 72 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3juo h GLU 72 CO -0.24 0.76 -0.26 1.25 -1.00 0.00 0.00 179.01 179.52 3juo h HIS 73 N 0.31 0.20 -0.77 4.33 2.76 -1.08 -2.13 115.15 118.77 3juo h HIS 73 Ca 0.07 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 3juo h HIS 73 Cb 0.56 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.42 3juo h HIS 73 CO 0.05 0.43 0.51 0.00 -1.30 0.00 0.00 177.93 177.62 3juo h ALA 74 N 1.57 1.70 -0.30 5.26 0.00 -0.76 -1.08 119.26 125.65 3juo h ALA 74 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3juo h ALA 74 Cb 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3juo h ALA 74 CO 0.04 0.17 0.16 0.28 0.00 0.00 0.00 179.25 179.90 3juo h VAL 75 N 0.78 1.13 -0.81 0.00 2.07 -1.33 -1.65 116.25 116.44 3juo h VAL 75 Ca 0.34 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3juo h VAL 75 Cb 0.32 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3juo h VAL 75 CO -0.12 0.13 0.47 -0.25 0.02 0.00 0.00 177.57 177.82 3juo h TRP 76 N 0.36 1.08 -0.24 1.57 7.01 -1.46 -2.68 115.95 121.58 3juo h TRP 76 Ca 0.10 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 3juo h TRP 76 Cb 0.07 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3juo h TRP 76 CO -0.03 0.73 -0.30 1.03 -2.79 0.00 0.00 178.44 177.09 3juo h SER 77 N 1.13 0.50 0.06 2.65 0.87 -0.94 0.28 113.55 118.09 3juo h SER 77 Ca 0.29 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3juo h SER 77 Cb -0.02 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3juo h SER 77 CO -0.05 0.78 -0.36 0.25 -0.53 0.00 0.00 176.83 176.92 3juo h LEU 78 N 0.43 0.43 -0.07 2.23 5.85 -0.98 0.25 115.31 123.45 3juo h LEU 78 Ca 0.06 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3juo h LEU 78 Cb 0.73 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3juo h LEU 78 CO 0.06 0.76 -0.05 1.56 -0.34 0.00 0.00 178.44 180.43 3juo h GLN 79 N 0.35 0.16 0.02 1.25 4.20 -1.25 -3.19 115.11 116.66 3juo h GLN 79 Ca 0.04 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.46 3juo h GLN 79 Cb 0.80 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 3juo h GLN 79 CO 0.06 0.57 -0.96 0.00 -0.67 0.00 0.00 178.83 177.83 3juo n PHE 81 N -3.51 1.85 0.24 0.00 3.01 0.86 -1.40 117.46 118.51 3juo n PHE 81 Ca -0.02 -3.94 0.13 0.00 1.01 0.00 0.00 57.45 54.62 3juo n PHE 81 Cb 0.88 -0.35 0.47 0.00 -0.01 0.00 0.00 39.48 40.47 3juo n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3juo h PRO 82 N 5.08 0.00 0.00 -1.08 0.13 -1.73 -3.16 132.00 131.23 3juo h PRO 82 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 3juo h PRO 82 Cb 0.79 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.79 3juo h PRO 82 CO 0.62 0.11 -0.59 -0.40 -0.23 0.00 0.00 178.00 177.51 3juo n ASP 83 N -3.20 1.30 -4.70 1.44 5.75 -1.26 -4.89 116.55 110.99 3juo n ASP 83 Ca 0.01 -2.83 -0.44 0.00 -0.01 0.00 0.00 54.79 51.53 3juo n ASP 83 Cb 0.42 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 3juo n ASP 83 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3juo n TRP 84 N -0.46 2.56 -4.61 2.11 -0.00 -1.20 -4.79 117.44 111.06 3juo n TRP 84 Ca 0.11 0.13 -0.23 0.00 -0.00 0.00 0.00 57.50 57.51 3juo n TRP 84 Cb 0.83 -2.62 -0.14 0.00 -0.00 0.00 0.00 31.31 29.38 3juo n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3juo s VAL 85 N 1.07 1.33 0.00 5.87 -7.23 -0.81 -4.81 120.40 115.83 3juo s VAL 85 Ca 0.77 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.88 3juo s VAL 85 Cb -0.58 -1.15 -0.06 0.00 0.56 0.00 0.00 36.38 35.16 3juo s VAL 85 CO 0.35 0.21 0.38 0.26 -0.31 0.00 0.00 175.10 175.99 3juo s TRP 86 N -0.63 3.69 0.29 2.82 0.52 -1.26 -2.17 118.94 122.20 3juo s TRP 86 Ca 0.05 0.92 0.04 0.00 0.02 0.00 0.00 56.10 57.12 3juo s TRP 86 Cb -0.07 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 3juo s TRP 86 CO 0.01 0.63 0.19 0.95 0.02 0.00 0.00 176.95 178.75 3juo s THR 87 N -1.13 0.12 -1.50 2.01 -4.23 -0.02 -4.88 115.64 106.02 3juo s THR 87 Ca 0.25 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 3juo s THR 87 Cb -0.16 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3juo s THR 87 CO 0.13 0.00 0.35 0.47 -0.54 0.00 0.00 174.62 175.03 3juo n ASP 88 N -0.98 -0.34 -4.72 3.99 8.00 -1.26 -0.51 116.55 120.72 3juo n ASP 88 Ca 0.03 -1.09 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 3juo n ASP 88 Cb 0.64 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.12 39.14 3juo n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3juo s ILE 89 N -3.98 4.37 -0.08 0.53 1.01 -1.26 -4.24 121.20 117.54 3juo s ILE 89 Ca 0.11 1.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.60 3juo s ILE 89 Cb -0.06 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.25 3juo s ILE 89 CO 0.93 0.23 0.02 -1.10 0.00 0.00 0.00 174.94 175.02 3juo s GLN 90 N 0.35 0.46 -0.20 2.79 -0.21 -0.41 -5.00 119.66 117.45 3juo s GLN 90 Ca 0.51 0.09 -0.10 0.00 0.02 0.00 0.00 55.36 55.88 3juo s GLN 90 Cb -0.25 -1.05 -0.05 0.00 1.00 0.00 0.00 33.01 32.66 3juo s GLN 90 CO 0.30 -0.36 0.14 0.42 -2.12 0.00 0.00 175.29 173.67 3juo s ILE 91 N 2.00 5.41 -0.26 1.08 1.01 -1.26 -1.17 121.20 128.01 3juo s ILE 91 Ca 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3juo s ILE 91 Cb -0.13 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.89 3juo s ILE 91 CO -0.05 0.44 -0.04 -0.36 0.00 0.00 0.00 174.94 174.93 3juo s PHE 92 N 0.35 3.11 0.61 3.97 0.40 0.64 -5.01 117.98 122.05 3juo s PHE 92 Ca 0.09 -1.54 -0.15 0.00 -0.60 0.00 0.00 56.93 54.73 3juo s PHE 92 Cb -0.11 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 3juo s PHE 92 CO -0.02 -0.72 1.05 -1.21 0.70 0.00 0.00 175.22 175.02 3juo s GLU 93 N 1.33 3.27 0.47 0.44 2.02 -1.26 -1.17 118.70 123.80 3juo s GLU 93 Ca -0.00 1.14 0.02 0.00 0.02 0.00 0.00 54.97 56.15 3juo s GLU 93 Cb -0.17 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 3juo s GLU 93 CO -0.03 -0.84 0.07 0.95 0.02 0.00 0.00 175.26 175.43 3juo s THR 94 N -2.59 0.83 0.61 3.63 -4.23 -1.17 -4.90 115.64 107.82 3juo s THR 94 Ca 0.62 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.45 3juo s THR 94 Cb -0.15 -2.22 0.37 0.00 1.34 0.00 0.00 72.50 71.84 3juo s THR 94 CO 0.40 0.00 2.18 0.06 -0.54 0.00 0.00 174.62 176.73 3juo h GLN 95 N 1.54 0.00 -5.33 3.99 -0.00 -1.99 -3.37 115.11 109.96 3juo h GLN 95 Ca -0.39 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.62 3juo h GLN 95 Cb 1.30 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 28.63 3juo h GLN 95 CO 0.65 0.00 0.03 0.34 -0.00 0.00 0.00 178.83 179.84 3juo s ASP 96 N -5.72 6.36 0.01 0.06 -1.08 -1.26 -4.93 116.67 110.11 3juo s ASP 96 Ca -0.05 0.04 0.08 0.00 -0.52 0.00 0.00 52.55 52.10 3juo s ASP 96 Cb 0.14 -2.29 0.33 0.00 -1.46 0.00 0.00 42.92 39.64 3juo s ASP 96 CO 0.51 -0.53 1.24 -0.81 0.52 0.00 0.00 175.17 176.10 3juo n PRO 97 N 5.86 0.00 -0.60 4.34 -0.04 -1.26 -1.57 135.00 141.73 3juo n PRO 97 Ca -0.03 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3juo n PRO 97 Cb 0.49 -1.51 0.36 0.00 -0.04 0.00 0.00 33.50 32.79 3juo n PRO 97 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3juo n ASN 98 N -1.52 4.73 -3.69 3.54 3.02 -1.26 -4.33 115.26 115.75 3juo n ASN 98 Ca 0.02 -2.42 -0.17 0.00 -0.03 0.00 0.00 54.58 51.97 3juo n ASN 98 Cb 0.09 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.52 3juo n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3juo s TRP 99 N -1.80 -0.08 0.08 3.10 -0.11 -0.61 0.15 118.94 119.67 3juo s TRP 99 Ca 0.51 0.44 0.08 0.00 1.22 0.00 0.00 56.10 58.35 3juo s TRP 99 Cb 0.33 -0.31 -0.03 0.00 -1.50 0.00 0.00 33.47 31.96 3juo s TRP 99 CO 0.25 -0.22 -0.20 -0.06 -4.62 0.00 0.00 176.95 172.10 3juo s PHE 100 N 2.00 1.76 0.13 5.86 0.40 -0.49 -3.06 117.98 124.59 3juo s PHE 100 Ca 0.01 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.02 3juo s PHE 100 Cb -0.12 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 3juo s PHE 100 CO -0.05 0.16 -0.15 -1.58 0.70 0.00 0.00 175.22 174.31 3juo s TRP 101 N -1.05 2.58 -0.03 0.36 0.52 -0.32 -1.14 118.94 119.86 3juo s TRP 101 Ca 0.06 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 55.98 3juo s TRP 101 Cb -0.10 -1.34 -0.00 0.00 -1.15 0.00 0.00 33.47 30.89 3juo s TRP 101 CO 0.03 0.43 -0.12 0.08 0.02 0.00 0.00 176.95 177.39 3juo s VAL 102 N -1.32 1.01 -0.12 4.03 1.01 -0.23 -0.26 120.40 124.53 3juo s VAL 102 Ca 0.20 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3juo s VAL 102 Cb -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3juo s VAL 102 CO 0.12 0.30 -0.15 -0.70 0.00 0.00 0.00 175.10 174.67 3juo s GLU 103 N 0.08 3.27 0.36 2.72 2.12 -0.32 -0.99 118.70 125.94 3juo s GLU 103 Ca -0.02 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 3juo s GLU 103 Cb -0.09 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.78 3juo s GLU 103 CO 0.01 0.23 0.66 0.00 -0.54 0.00 0.00 175.26 175.62 3juo s ARG 105 N -2.73 2.31 0.00 0.00 0.52 0.33 -0.88 118.95 118.50 3juo s ARG 105 Ca 0.21 -1.89 -0.21 0.00 -0.52 0.00 0.00 55.73 53.33 3juo s ARG 105 Cb -0.03 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.35 3juo s ARG 105 CO 0.14 -0.43 0.46 0.20 0.02 0.00 0.00 175.30 175.69 3juo s GLY 106 N -4.17 -0.33 -0.06 -3.53 0.00 -0.92 -0.84 107.32 97.47 3juo s GLY 106 Ca 0.38 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.54 3juo s GLY 106 CO 0.23 0.31 0.34 1.85 0.00 0.00 0.00 173.10 175.82 3juo s GLU 107 N -1.81 0.57 0.00 2.90 2.12 -0.92 -2.07 118.70 119.48 3juo s GLU 107 Ca -0.09 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.34 3juo s GLU 107 Cb -0.02 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3juo s GLU 107 CO 0.03 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3juo n GLY 108 N 1.95 -2.28 3.77 -1.50 0.00 -0.52 -1.92 105.19 104.68 3juo n GLY 108 Ca -0.18 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 3juo n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juo s ALA 109 N -1.98 3.16 -0.13 4.61 0.00 -1.26 -0.69 121.76 125.47 3juo s ALA 109 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3juo s ALA 109 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3juo s ALA 109 CO 0.00 -0.89 -0.21 -1.50 0.00 0.00 0.00 175.76 173.17 3juo s ILE 110 N -1.31 2.29 -0.50 0.00 2.07 0.11 -4.30 121.20 119.55 3juo s ILE 110 Ca 0.60 -0.92 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 3juo s ILE 110 Cb -0.37 -1.91 0.17 0.00 0.13 0.00 0.00 42.46 40.47 3juo s ILE 110 CO 0.47 0.54 0.37 -0.69 -1.91 0.00 0.00 174.94 173.73 3juo s VAL 111 N 0.57 1.15 -0.12 4.00 1.01 -0.49 -0.89 120.40 125.62 3juo s VAL 111 Ca -0.12 -3.08 -0.08 0.00 0.00 0.00 0.00 61.98 58.70 3juo s VAL 111 Cb -0.17 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3juo s VAL 111 CO 0.04 -1.14 0.16 -0.36 0.00 0.00 0.00 175.10 173.80 3juo s PHE 112 N -0.32 3.59 0.27 5.22 2.99 -1.26 -4.40 117.98 124.07 3juo s PHE 112 Ca 0.29 0.54 -0.30 0.00 0.00 0.00 0.00 56.93 57.46 3juo s PHE 112 Cb -0.02 -1.98 -0.10 0.00 0.00 0.00 0.00 43.02 40.92 3juo s PHE 112 CO -0.17 0.69 1.36 -2.14 -0.00 0.00 0.00 175.22 174.96 3juo s PRO 113 N -0.91 4.33 0.00 0.24 0.02 -1.26 -2.68 135.00 134.74 3juo s PRO 113 Ca 0.15 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3juo s PRO 113 Cb -0.12 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3juo s PRO 113 CO 0.04 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 3juo n GLY 114 N 1.68 0.62 3.18 0.52 0.00 -1.26 -5.06 105.19 104.88 3juo n GLY 114 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3juo n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3juo s TYR 115 N -2.00 0.94 0.88 1.61 1.51 -1.09 -5.14 117.35 114.06 3juo s TYR 115 Ca 0.00 -0.96 -0.12 0.00 -1.01 0.00 0.00 57.07 54.98 3juo s TYR 115 Cb 0.00 -0.55 0.12 0.00 -0.11 0.00 0.00 41.96 41.42 3juo s TYR 115 CO 0.00 -0.19 1.09 -1.25 -1.11 0.00 0.00 175.55 174.09 3juo s PRO 116 N -3.87 1.37 0.08 -1.71 0.04 -1.26 -4.64 135.00 125.00 3juo s PRO 116 Ca 0.15 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 3juo s PRO 116 Cb 0.06 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 3juo s PRO 116 CO -0.03 -2.15 1.19 0.50 0.04 0.00 0.00 177.00 176.55 3juo s ARG 117 N -4.99 4.45 0.32 4.56 3.52 -1.26 -4.73 118.95 120.82 3juo s ARG 117 Ca 0.63 1.77 0.03 0.00 -0.13 0.00 0.00 55.73 58.04 3juo s ARG 117 Cb -0.17 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3juo s ARG 117 CO 0.56 -0.22 0.14 0.20 -0.81 0.00 0.00 175.30 175.17 3juo s GLY 118 N 0.90 2.14 -0.25 8.12 0.00 -0.07 -4.98 107.32 113.18 3juo s GLY 118 Ca 0.58 -1.70 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 3juo s GLY 118 CO 0.30 -1.66 0.23 1.62 0.00 0.00 0.00 173.10 173.59 3juo s GLN 119 N -3.82 4.05 -0.19 2.90 2.00 -1.26 0.03 119.66 123.37 3juo s GLN 119 Ca 0.34 -0.18 -0.03 0.00 -2.00 0.00 0.00 55.36 53.48 3juo s GLN 119 Cb 0.05 -3.58 -0.01 0.00 0.80 0.00 0.00 33.01 30.26 3juo s GLN 119 CO 0.16 -0.06 -0.05 -0.47 -0.50 0.00 0.00 175.29 174.38 3juo s TYR 120 N 1.40 2.95 0.01 1.67 5.04 0.14 -4.60 117.35 123.95 3juo s TYR 120 Ca 0.10 -0.73 0.07 0.00 -2.44 0.00 0.00 57.07 54.06 3juo s TYR 120 Cb -0.15 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 3juo s TYR 120 CO 0.07 -0.38 -0.20 1.03 -1.34 0.00 0.00 175.55 174.73 3juo s ARG 121 N 1.07 1.54 0.24 4.97 0.52 -1.26 -1.44 118.95 124.59 3juo s ARG 121 Ca 0.01 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.23 3juo s ARG 121 Cb -0.15 -1.55 0.02 0.00 0.52 0.00 0.00 34.95 33.79 3juo s ARG 121 CO -0.00 0.41 0.58 1.21 0.02 0.00 0.00 175.30 177.52 3juo s ASN 122 N -0.76 -0.21 -0.15 0.23 3.04 -0.88 -4.75 114.94 111.46 3juo s ASN 122 Ca 0.08 -0.66 -0.07 0.00 0.04 0.00 0.00 52.86 52.25 3juo s ASN 122 Cb -0.08 0.64 -0.04 0.00 -1.54 0.00 0.00 41.25 40.22 3juo s ASN 122 CO 0.00 -1.19 0.09 -2.28 -3.04 0.00 0.00 177.10 170.68 3juo s HIS 123 N -3.93 3.37 0.05 0.43 5.65 -1.26 -2.18 115.29 117.42 3juo s HIS 123 Ca 0.14 0.29 0.04 0.00 0.25 0.00 0.00 55.06 55.78 3juo s HIS 123 Cb -0.03 -2.00 -0.02 0.00 -1.18 0.00 0.00 32.58 29.35 3juo s HIS 123 CO 0.04 0.42 -0.12 -0.06 -0.65 0.00 0.00 174.74 174.37 3juo s PHE 124 N -0.31 1.06 -0.02 3.88 0.40 -0.06 -4.30 117.98 118.63 3juo s PHE 124 Ca 0.10 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.09 3juo s PHE 124 Cb -0.12 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 3juo s PHE 124 CO 0.01 0.02 -0.24 -0.51 0.70 0.00 0.00 175.22 175.20 3juo s LEU 125 N -1.41 2.04 0.04 -0.37 1.43 -0.05 -1.28 118.68 119.08 3juo s LEU 125 Ca -0.02 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3juo s LEU 125 Cb -0.09 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 3juo s LEU 125 CO 0.01 0.28 -0.24 -1.00 0.23 0.00 0.00 176.35 175.64 3juo s HIS 126 N -0.49 2.10 -0.13 0.29 3.76 -0.16 -1.10 115.29 119.57 3juo s HIS 126 Ca 0.07 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3juo s HIS 126 Cb -0.10 -1.27 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 3juo s HIS 126 CO -0.00 0.10 -0.11 0.45 -0.85 0.00 0.00 174.74 174.33 3juo s SER 127 N -1.14 4.23 -0.17 1.40 0.15 0.38 -1.06 113.70 117.49 3juo s SER 127 Ca 0.10 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.50 3juo s SER 127 Cb -0.09 -1.59 0.03 0.00 -1.71 0.00 0.00 66.02 62.65 3juo s SER 127 CO 0.02 0.18 -0.14 -0.36 1.20 0.00 0.00 173.24 174.14 3juo s PHE 128 N 0.25 2.35 -0.07 3.44 0.08 -0.30 -0.77 117.98 122.96 3juo s PHE 128 Ca -0.07 -1.40 0.02 0.00 0.12 0.00 0.00 56.93 55.59 3juo s PHE 128 Cb -0.15 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3juo s PHE 128 CO 0.05 -0.72 -0.10 1.03 -0.10 0.00 0.00 175.22 175.38 3juo s ARG 129 N 1.42 2.77 0.26 0.44 0.52 0.25 -1.39 118.95 123.22 3juo s ARG 129 Ca 0.03 -0.62 0.10 0.00 -0.52 0.00 0.00 55.73 54.73 3juo s ARG 129 Cb -0.14 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3juo s ARG 129 CO -0.10 0.58 -0.07 -0.06 0.02 0.00 0.00 175.30 175.66 3juo s PHE 130 N -0.59 2.58 -0.22 -0.53 0.08 0.12 -0.36 117.98 119.06 3juo s PHE 130 Ca 0.09 -0.25 -0.10 0.00 0.12 0.00 0.00 56.93 56.79 3juo s PHE 130 Cb -0.12 -1.15 0.08 0.00 -0.57 0.00 0.00 43.02 41.26 3juo s PHE 130 CO 0.02 0.63 0.49 -2.00 -0.10 0.00 0.00 175.22 174.26 3juo s GLU 131 N -3.50 0.45 -1.55 0.44 2.12 -0.27 -4.77 118.70 111.63 3juo s GLU 131 Ca 0.30 1.04 -0.06 0.00 0.36 0.00 0.00 54.97 56.61 3juo s GLU 131 Cb -0.06 0.24 0.05 0.00 0.26 0.00 0.00 34.13 34.62 3juo s GLU 131 CO 0.18 -0.19 0.40 0.09 -0.54 0.00 0.00 175.26 175.20 3juo n ASN 132 N 4.81 -0.77 0.00 -1.70 3.02 -1.26 -2.06 115.26 117.30 3juo n ASN 132 Ca -0.16 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3juo n ASN 132 Cb 0.53 -2.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 3juo n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3juo n GLY 133 N -1.94 1.90 3.50 7.41 0.00 -1.26 -5.00 105.19 109.80 3juo n GLY 133 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3juo n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3juo s LEU 134 N 0.00 2.72 -0.18 0.99 1.43 -0.87 -4.90 118.68 117.87 3juo s LEU 134 Ca 0.00 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.00 3juo s LEU 134 Cb 0.00 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3juo s LEU 134 CO 0.00 0.08 1.31 -0.63 0.23 0.00 0.00 176.35 177.34 3juo s ILE 135 N -2.00 4.20 -0.09 -0.59 1.01 -0.02 -1.11 121.20 122.59 3juo s ILE 135 Ca 0.26 1.43 -0.02 0.00 0.00 0.00 0.00 60.65 62.32 3juo s ILE 135 Cb -0.07 -3.97 -0.26 0.00 0.01 0.00 0.00 42.46 38.17 3juo s ILE 135 CO 0.14 -0.18 0.47 0.50 0.00 0.00 0.00 174.94 175.87 3juo h LYS 136 N 8.51 0.21 -2.84 2.79 1.63 -1.00 -0.27 116.57 125.60 3juo h LYS 136 Ca -0.27 -0.35 -0.17 0.00 -0.85 0.00 0.00 60.65 59.00 3juo h LYS 136 Cb 1.11 0.13 -0.30 0.00 -0.60 0.00 0.00 32.23 32.57 3juo h LYS 136 CO 0.98 1.04 -0.45 -2.00 -3.45 0.00 0.00 179.45 175.57 3juo s GLU 137 N -2.57 0.24 -0.07 1.90 2.12 -0.85 -1.51 118.70 117.97 3juo s GLU 137 Ca -0.17 0.71 0.03 0.00 0.36 0.00 0.00 54.97 55.90 3juo s GLU 137 Cb 0.07 -0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.41 3juo s GLU 137 CO 0.79 -0.21 -0.16 -1.14 -0.54 0.00 0.00 175.26 174.00 3juo s GLN 138 N 1.80 2.67 -0.01 4.30 -0.44 0.61 -0.58 119.66 128.00 3juo s GLN 138 Ca -0.05 -0.73 0.00 0.00 -2.50 0.00 0.00 55.36 52.08 3juo s GLN 138 Cb -0.11 -2.39 0.01 0.00 -1.64 0.00 0.00 33.01 28.89 3juo s GLN 138 CO -0.10 0.51 0.01 1.03 0.50 0.00 0.00 175.29 177.24 3juo s ARG 139 N -0.45 0.06 -0.09 1.67 0.52 0.05 -2.82 118.95 117.90 3juo s ARG 139 Ca 0.05 0.06 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 3juo s ARG 139 Cb -0.12 -0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.13 3juo s ARG 139 CO 0.02 -0.07 0.03 -2.00 0.02 0.00 0.00 175.30 173.29 3juo s GLU 140 N 0.52 3.06 -0.10 3.54 2.12 -0.60 -0.47 118.70 126.77 3juo s GLU 140 Ca -0.05 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 3juo s GLU 140 Cb -0.07 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.49 3juo s GLU 140 CO -0.01 0.71 -0.05 -0.06 -0.54 0.00 0.00 175.26 175.31 3juo s PHE 141 N -0.92 1.19 0.20 5.30 0.40 -0.26 -0.82 117.98 123.07 3juo s PHE 141 Ca 0.14 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3juo s PHE 141 Cb -0.11 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.33 3juo s PHE 141 CO 0.03 -0.44 0.19 0.00 0.70 0.00 0.00 175.22 175.70 3juo n MET 142 N 4.98 0.28 -3.25 0.44 0.00 -1.26 -0.87 117.12 117.43 3juo n MET 142 Ca -0.11 -1.90 -0.44 0.00 0.00 0.00 0.00 57.70 55.25 3juo n MET 142 Cb 0.50 1.61 -0.06 0.00 0.00 0.00 0.00 33.22 35.27 3juo n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3juo s ASN 143 N -2.35 6.19 0.65 3.17 3.84 -1.26 -4.82 114.94 120.35 3juo s ASN 143 Ca 0.22 -1.23 0.35 0.00 0.21 0.00 0.00 52.86 52.42 3juo s ASN 143 Cb 0.01 -2.25 1.96 0.00 -0.55 0.00 0.00 41.25 40.42 3juo s ASN 143 CO 0.16 -0.83 2.15 -0.65 -2.79 0.00 0.00 177.10 175.14 3juo h PRO 144 N 8.93 0.00 -0.44 0.43 0.11 -1.95 -1.50 132.00 137.57 3juo h PRO 144 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3juo h PRO 144 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3juo h PRO 144 CO 0.96 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 178.88 3juo h GLU 146 N 0.64 0.22 -0.49 0.00 4.39 -1.61 -2.24 114.58 115.49 3juo h GLU 146 Ca 0.15 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 3juo h GLU 146 Cb 0.20 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3juo h GLU 146 CO -0.01 0.66 -0.01 0.37 -1.16 0.00 0.00 179.01 178.86 3juo h GLN 147 N 0.18 0.88 -0.13 2.33 4.15 -1.44 -2.31 115.11 118.76 3juo h GLN 147 Ca 0.01 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.19 3juo h GLN 147 Cb 0.92 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 3juo h GLN 147 CO 0.07 0.92 -0.20 0.74 -1.93 0.00 0.00 178.83 178.44 3juo h PHE 148 N 0.74 -0.51 -0.57 3.99 0.04 -1.07 -1.47 116.94 118.09 3juo h PHE 148 Ca 0.14 0.03 0.12 0.00 2.80 0.00 0.00 57.97 61.05 3juo h PHE 148 Cb 0.53 0.25 -0.10 0.00 2.20 0.00 0.00 35.95 38.83 3juo h PHE 148 CO 0.04 -0.27 -0.07 0.00 -0.60 0.00 0.00 178.31 177.40 3juo h ARG 149 N -0.25 0.05 0.00 1.51 3.08 -1.33 -0.61 114.38 116.82 3juo h ARG 149 Ca 0.10 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3juo h ARG 149 Cb 0.39 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3juo h ARG 149 CO -0.28 0.03 -0.01 0.66 -1.07 0.00 0.00 179.97 179.31 3juo h SER 150 N 0.05 0.00 -0.17 7.04 4.64 -0.70 -0.65 113.55 123.77 3juo h SER 150 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3juo h SER 150 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3juo h SER 150 CO -0.54 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 175.61 3juo n LEU 151 N -3.60 2.91 -0.28 5.97 4.77 -0.87 -4.11 117.00 121.80 3juo n LEU 151 Ca -0.03 -1.24 -0.04 0.00 -0.03 0.00 0.00 56.01 54.68 3juo n LEU 151 Cb 0.09 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3juo n LEU 151 CO 0.25 0.57 -0.03 0.61 -1.33 0.00 0.00 177.39 177.46 3juo n GLY 152 N 1.18 0.66 3.80 -0.72 0.00 -0.25 -4.67 105.19 105.19 3juo n GLY 152 Ca 0.14 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3juo n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juo s ILE 153 N -2.06 4.81 0.10 -0.61 1.01 -0.30 -5.01 121.20 119.16 3juo s ILE 153 Ca 0.00 1.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.52 3juo s ILE 153 Cb 0.00 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 3juo s ILE 153 CO 0.00 0.52 1.54 -0.70 0.00 0.00 0.00 174.94 176.30 3juo s GLU 154 N -0.87 4.24 -0.17 2.79 2.12 -1.26 -4.00 118.70 121.55 3juo s GLU 154 Ca 0.29 2.25 -0.19 0.00 0.36 0.00 0.00 54.97 57.67 3juo s GLU 154 Cb -0.19 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3juo s GLU 154 CO 0.18 -0.61 0.55 0.08 -0.54 0.00 0.00 175.26 174.92 3juo s VAL 155 N 1.76 5.10 0.61 3.70 1.01 -1.26 -4.99 120.40 126.33 3juo s VAL 155 Ca 0.69 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.53 3juo s VAL 155 Cb -0.40 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3juo s VAL 155 CO 0.31 0.20 1.17 -2.84 0.00 0.00 0.00 175.10 173.94 3juo s PRO 156 N 1.43 2.93 -0.05 2.72 0.02 -1.26 -5.04 135.00 135.76 3juo s PRO 156 Ca 0.26 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.02 3juo s PRO 156 Cb -0.16 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 3juo s PRO 156 CO 0.10 -1.20 -0.21 -2.00 -0.33 0.00 0.00 177.00 173.36 3juo s GLU 157 N -3.53 2.08 -0.15 5.54 2.12 -1.26 -5.11 118.70 118.37 3juo s GLU 157 Ca 0.74 -0.74 -0.23 0.00 0.36 0.00 0.00 54.97 55.10 3juo s GLU 157 Cb -0.27 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 3juo s GLU 157 CO 0.35 0.32 0.72 0.08 -0.54 0.00 0.00 175.26 176.19 3juo s VAL 158 N -0.10 4.98 0.27 3.70 1.01 -1.26 -5.07 120.40 123.92 3juo s VAL 158 Ca -0.02 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 3juo s VAL 158 Cb -0.12 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 3juo s VAL 158 CO 0.02 0.12 1.26 -0.13 0.00 0.00 0.00 175.10 176.37 3juo s ARG 159 N 1.72 4.44 -0.65 2.72 1.81 -1.26 -4.98 118.95 122.74 3juo s ARG 159 Ca 0.34 2.05 0.06 0.00 -1.72 0.00 0.00 55.73 56.46 3juo s ARG 159 Cb -0.17 -3.15 0.26 0.00 -0.45 0.00 0.00 34.95 31.45 3juo s ARG 159 CO 0.13 -0.12 0.79 0.54 -0.68 0.00 0.00 175.30 175.96 3juo n ARG 160 N 1.60 2.66 -1.90 3.54 1.74 -1.26 -5.09 116.66 117.95 3juo n ARG 160 Ca 0.02 -4.69 -0.42 0.00 -0.77 0.00 0.00 57.85 51.99 3juo n ARG 160 Cb 0.43 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 3juo n ARG 160 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3juo s ASP 161 N -2.53 6.55 -0.96 0.55 1.11 -1.26 -2.35 116.67 117.78 3juo s ASP 161 Ca 0.40 2.69 -0.03 0.00 0.18 0.00 0.00 52.55 55.79 3juo s ASP 161 Cb 0.15 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.55 3juo s ASP 161 CO -0.01 -0.83 0.45 0.61 1.18 0.00 0.00 175.17 176.56 3juo n GLY 162 N 3.37 -0.06 3.64 0.21 0.00 -1.26 -5.03 105.19 106.06 3juo n GLY 162 Ca 0.12 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3juo n GLY 162 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3juo s LEU 163 N -4.50 4.10 0.00 0.99 0.20 -0.99 -5.34 118.68 113.14 3juo s LEU 163 Ca 0.22 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.54 3juo s LEU 163 Cb -0.10 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.09 3juo s LEU 163 CO 0.28 -0.17 0.08 -2.65 -0.29 0.00 0.00 176.35 173.60