#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juq n ASN 9 N 0.00 4.94 -4.75 4.31 5.15 -1.26 -4.77 115.26 118.88 3juq n ASN 9 Ca 0.00 -2.94 -0.23 0.00 -0.60 0.00 0.00 54.58 50.82 3juq n ASN 9 Cb 0.00 -1.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.51 3juq n ASN 9 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3juq s THR 10 N 3.33 4.06 0.39 -0.44 -4.23 -1.26 -5.03 115.64 112.47 3juq s THR 10 Ca 0.50 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 3juq s THR 10 Cb 0.03 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3juq s THR 10 CO 0.05 -0.34 2.03 0.77 -0.54 0.00 0.00 174.62 176.59 3juq h SER 11 N 1.74 0.54 -0.03 3.99 4.64 -1.99 -1.28 113.55 121.16 3juq h SER 11 Ca -0.47 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 3juq h SER 11 Cb 1.24 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3juq h SER 11 CO 0.61 0.39 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.99 3juq h GLU 12 N 0.64 0.65 -0.35 4.77 4.39 -1.96 -1.31 114.58 121.39 3juq h GLU 12 Ca 0.20 -0.45 -0.13 0.00 0.34 0.00 0.00 59.36 59.31 3juq h GLU 12 Cb 0.01 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3juq h GLU 12 CO -0.05 1.07 -0.30 -0.91 -1.16 0.00 0.00 179.01 177.67 3juq h ASN 13 N 0.47 0.78 -0.59 1.42 2.35 -1.77 -2.43 115.58 115.81 3juq h ASN 13 Ca -0.01 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.33 3juq h ASN 13 Cb 1.22 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 3juq h ASN 13 CO 0.12 1.03 0.01 0.03 -1.65 0.00 0.00 177.43 176.97 3juq h ARG 14 N 0.64 1.03 -0.59 0.81 3.08 -1.15 -0.76 114.38 117.44 3juq h ARG 14 Ca 0.07 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3juq h ARG 14 Cb 0.83 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3juq h ARG 14 CO 0.07 1.01 0.14 0.00 -1.07 0.00 0.00 179.97 180.13 3juq h ALA 15 N 0.98 0.78 -0.20 0.04 0.00 -1.21 0.26 119.26 119.91 3juq h ALA 15 Ca 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3juq h ALA 15 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3juq h ALA 15 CO 0.03 0.49 0.06 1.96 0.00 0.00 0.00 179.25 181.79 3juq h GLN 16 N 0.86 0.15 -0.31 0.00 1.08 -1.11 -0.93 115.11 114.85 3juq h GLN 16 Ca 0.19 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3juq h GLN 16 Cb 0.35 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3juq h GLN 16 CO 0.00 0.10 0.20 0.28 -0.95 0.00 0.00 178.83 178.46 3juq h VAL 17 N 0.16 1.09 -0.62 -0.54 2.07 -0.98 -0.75 116.25 116.68 3juq h VAL 17 Ca 0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3juq h VAL 17 Cb 0.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3juq h VAL 17 CO -0.09 0.09 0.37 0.00 0.02 0.00 0.00 177.57 177.95 3juq h ALA 18 N 1.10 0.79 -0.29 1.67 0.00 -0.22 -0.09 119.26 122.21 3juq h ALA 18 Ca 0.11 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3juq h ALA 18 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3juq h ALA 18 CO -0.02 0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.62 3juq h ALA 19 N 1.18 0.34 -0.69 0.00 0.00 -1.09 0.22 119.26 119.22 3juq h ALA 19 Ca 0.22 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3juq h ALA 19 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3juq h ALA 19 CO -0.04 -0.28 0.12 -0.09 0.00 0.00 0.00 179.25 178.96 3juq h ARG 20 N 0.26 1.13 -0.43 0.00 2.43 -0.82 0.10 114.38 117.05 3juq h ARG 20 Ca 0.13 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 3juq h ARG 20 Cb 0.08 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3juq h ARG 20 CO -0.11 1.02 -0.02 0.37 -1.51 0.00 0.00 179.97 179.71 3juq h GLN 21 N 1.06 0.77 -0.28 0.20 4.15 -0.66 0.29 115.11 120.65 3juq h GLN 21 Ca 0.21 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3juq h GLN 21 Cb 0.43 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3juq h GLN 21 CO 0.01 0.86 0.09 1.25 -1.93 0.00 0.00 178.83 179.10 3juq h HIS 22 N 0.60 0.45 -0.64 3.99 2.76 -0.65 -2.34 115.15 119.33 3juq h HIS 22 Ca 0.12 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 3juq h HIS 22 Cb 0.53 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3juq h HIS 22 CO 0.04 0.48 0.10 -0.91 -1.30 0.00 0.00 177.93 176.34 3juq h ASN 23 N 0.29 1.02 -0.63 3.26 2.35 -0.78 -2.41 115.58 118.69 3juq h ASN 23 Ca 0.09 -0.26 0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3juq h ASN 23 Cb 0.25 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 3juq h ASN 23 CO -0.00 1.03 0.36 -0.09 -1.65 0.00 0.00 177.43 177.07 3juq h ARG 24 N 0.98 0.66 -0.98 0.81 2.43 -0.82 -0.70 114.38 116.76 3juq h ARG 24 Ca 0.19 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3juq h ARG 24 Cb 0.44 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 3juq h ARG 24 CO 0.01 0.44 0.63 -0.22 -1.51 0.00 0.00 179.97 179.33 3juq h LYS 25 N 0.68 1.09 -0.49 0.20 3.64 -1.07 -0.25 116.57 120.37 3juq h LYS 25 Ca 0.27 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 3juq h LYS 25 Cb 0.12 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3juq h LYS 25 CO -0.15 0.72 -0.11 0.82 -2.27 0.00 0.00 179.45 178.46 3juq h ILE 26 N 1.12 1.27 -0.44 2.00 1.08 -0.87 -0.45 117.51 121.22 3juq h ILE 26 Ca 0.43 -1.25 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3juq h ILE 26 Cb 0.22 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 3juq h ILE 26 CO -0.18 0.43 0.26 0.58 -0.69 0.00 0.00 178.15 178.56 3juq h VAL 27 N 0.80 1.15 -0.20 1.67 2.07 -0.62 -0.07 116.25 121.04 3juq h VAL 27 Ca 0.12 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3juq h VAL 27 Cb 0.67 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3juq h VAL 27 CO 0.05 0.15 0.02 -0.33 0.02 0.00 0.00 177.57 177.48 3juq h GLU 28 N 0.58 0.09 -0.40 1.57 4.39 -0.88 -1.20 114.58 118.72 3juq h GLU 28 Ca 0.16 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.90 3juq h GLU 28 Cb 0.02 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3juq h GLU 28 CO -0.03 0.06 0.16 0.37 -1.16 0.00 0.00 179.01 178.40 3juq h GLN 29 N 0.09 0.32 -0.06 2.33 4.15 -0.82 -1.80 115.11 119.32 3juq h GLN 29 Ca 0.09 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3juq h GLN 29 Cb 0.10 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 3juq h GLN 29 CO -0.14 0.21 -0.16 -0.92 -1.93 0.00 0.00 178.83 175.89 3juq h TYR 30 N 0.33 -0.41 0.00 3.99 3.20 -0.62 -2.19 116.97 121.27 3juq h TYR 30 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3juq h TYR 30 Cb 0.15 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 3juq h TYR 30 CO -0.14 -0.23 -0.08 0.52 -1.64 0.00 0.00 178.16 176.60 3juq h MET 31 N -0.23 0.00 -0.38 1.82 2.86 -1.02 -2.40 114.93 115.58 3juq h MET 31 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3juq h MET 31 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3juq h MET 31 CO -0.20 0.08 0.00 0.72 1.06 0.00 0.00 176.91 178.57 3juq n HIS 32 N -3.29 0.50 -2.54 -0.22 8.25 -0.69 -4.57 115.22 112.64 3juq n HIS 32 Ca -0.01 -0.25 -0.43 0.00 -0.26 0.00 0.00 57.72 56.78 3juq n HIS 32 Cb 0.28 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 3juq n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3juq s THR 33 N -1.50 4.46 0.12 1.59 2.01 -0.85 -5.01 115.64 116.46 3juq s THR 33 Ca 0.39 1.76 0.01 0.00 0.31 0.00 0.00 61.69 64.16 3juq s THR 33 Cb 0.22 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3juq s THR 33 CO 0.31 -0.04 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.04 3juq s ARG 34 N 2.45 0.90 4.04 4.92 0.52 -1.26 -4.81 118.95 125.71 3juq s ARG 34 Ca 0.52 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3juq s ARG 34 Cb -0.21 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.13 3juq s ARG 34 CO 0.18 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.82 3juq n GLY 35 N -0.09 2.45 0.29 -3.53 0.00 -1.26 -2.52 105.19 100.52 3juq n GLY 35 Ca -0.10 -0.33 0.17 0.00 0.00 0.00 0.00 46.02 45.76 3juq n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3juq h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.99 -0.50 114.58 118.10 3juq h GLU 36 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3juq h GLU 36 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3juq h GLU 36 CO 0.00 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 177.91 3juq h ALA 37 N 1.94 1.00 0.00 3.43 0.00 -1.90 -1.54 119.26 122.20 3juq h ALA 37 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3juq h ALA 37 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3juq h ALA 37 CO 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.22 3juq h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.19 -1.81 114.38 114.46 3juq h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3juq h ARG 38 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3juq h ARG 38 CO 0.00 0.04 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 3juq n LEU 39 N -3.55 0.25 -0.30 3.04 4.77 -0.58 -2.77 117.00 117.86 3juq n LEU 39 Ca -0.02 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.55 3juq n LEU 39 Cb 0.14 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 3juq n LEU 39 CO 0.26 -0.32 0.44 0.29 -1.33 0.00 0.00 177.39 176.73 3juq n LYS 40 N -1.77 1.03 0.23 3.23 5.02 -0.69 -4.64 118.16 120.57 3juq n LYS 40 Ca 0.03 -1.24 0.07 0.00 -2.02 0.00 0.00 58.31 55.16 3juq n LYS 40 Cb 0.22 -1.14 0.57 0.00 -0.02 0.00 0.00 35.03 34.66 3juq n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3juq h ARG 41 N 1.25 0.00 -0.00 1.97 2.43 -1.44 -1.88 114.38 116.70 3juq h ARG 41 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3juq h ARG 41 Cb 0.41 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3juq h ARG 41 CO 0.00 0.18 0.03 1.12 -1.51 0.00 0.00 179.97 179.79 3juq h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.82 -1.71 115.15 115.89 3juq h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3juq h HIS 42 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 3juq h HIS 42 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3juq n LEU 43 N -3.07 0.45 0.00 6.12 4.77 -0.71 -2.05 117.00 122.51 3juq n LEU 43 Ca -0.03 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 3juq n LEU 43 Cb 0.10 -0.58 0.63 0.00 -2.33 0.00 0.00 43.42 41.24 3juq n LEU 43 CO 0.19 -0.52 0.96 0.18 -1.33 0.00 0.00 177.39 176.88 3juq n LEU 44 N -2.01 0.00 -4.95 2.23 4.77 -0.64 -4.88 117.00 111.51 3juq n LEU 44 Ca 0.02 0.48 -0.23 0.00 -0.03 0.00 0.00 56.01 56.25 3juq n LEU 44 Cb 0.18 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3juq n LEU 44 CO 0.16 -0.00 0.13 -0.36 -1.33 0.00 0.00 177.39 175.99 3juq s PHE 45 N -2.97 3.44 0.71 -1.77 0.08 -0.87 -0.47 117.98 116.13 3juq s PHE 45 Ca 0.15 0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.32 3juq s PHE 45 Cb 0.19 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3juq s PHE 45 CO 0.52 0.14 1.07 0.95 -0.10 0.00 0.00 175.22 177.80 3juq s THR 46 N -2.26 3.83 0.31 0.64 -4.23 -0.16 -4.71 115.64 109.05 3juq s THR 46 Ca 0.40 0.62 0.06 0.00 -1.18 0.00 0.00 61.69 61.59 3juq s THR 46 Cb -0.09 -3.28 0.30 0.00 1.34 0.00 0.00 72.50 70.77 3juq s THR 46 CO 0.34 -0.75 1.78 -0.08 -0.54 0.00 0.00 174.62 175.37 3juq h GLU 47 N -0.71 0.74 -0.62 3.99 4.81 -1.96 0.19 114.58 121.02 3juq h GLU 47 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3juq h GLU 47 Cb 1.22 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3juq h GLU 47 CO 0.55 0.49 0.00 -0.40 -0.73 0.00 0.00 179.01 178.92 3juq n ASP 48 N -4.75 4.87 -4.75 1.04 3.85 -1.26 -0.89 116.55 114.67 3juq n ASP 48 Ca 0.23 -2.54 -0.37 0.00 -0.71 0.00 0.00 54.79 51.41 3juq n ASP 48 Cb 0.57 -0.59 0.04 0.00 -1.35 0.00 0.00 41.12 39.79 3juq n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3juq s GLY 49 N -0.94 2.81 0.02 6.12 0.00 0.05 -4.19 107.32 111.20 3juq s GLY 49 Ca 0.51 1.14 0.08 0.00 0.00 0.00 0.00 44.72 46.44 3juq s GLY 49 CO 0.23 1.57 -0.23 0.14 0.00 0.00 0.00 173.10 174.81 3juq s VAL 50 N -1.47 2.41 0.25 1.40 1.01 -0.51 0.48 120.40 123.97 3juq s VAL 50 Ca 0.78 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3juq s VAL 50 Cb -0.35 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3juq s VAL 50 CO 0.38 0.44 0.17 -0.83 0.00 0.00 0.00 175.10 175.27 3juq s GLY 51 N -1.07 1.75 0.00 4.51 0.00 -0.69 -0.48 107.32 111.35 3juq s GLY 51 Ca 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3juq s GLY 51 CO 0.02 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 172.29 3juq n GLY 52 N -0.40 0.47 3.22 0.20 0.00 -1.09 -0.20 105.19 107.40 3juq n GLY 52 Ca 0.03 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3juq n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3juq s LEU 53 N 0.00 2.68 0.00 0.99 2.96 -0.59 -1.28 118.68 123.44 3juq s LEU 53 Ca 0.00 -0.58 0.23 0.00 -0.22 0.00 0.00 54.13 53.56 3juq s LEU 53 Cb 0.00 -1.63 0.15 0.00 0.50 0.00 0.00 46.19 45.21 3juq s LEU 53 CO 0.00 -0.03 1.17 0.79 -1.32 0.00 0.00 176.35 176.96 3juq n TRP 54 N 4.71 0.00 -3.95 5.38 8.01 0.33 -0.30 117.44 131.62 3juq n TRP 54 Ca -0.19 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.69 3juq n TRP 54 Cb 0.50 -0.09 -0.15 0.00 -2.01 0.00 0.00 31.31 29.56 3juq n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3juq s THR 55 N -2.83 1.87 0.29 -0.99 -4.23 -1.25 -4.40 115.64 104.10 3juq s THR 55 Ca 0.13 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 3juq s THR 55 Cb 0.17 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 71.64 3juq s THR 55 CO 0.72 -0.49 -0.02 0.42 -0.54 0.00 0.00 174.62 174.71 3juq s THR 56 N 1.14 1.45 0.51 3.99 -4.23 -1.26 -4.70 115.64 112.53 3juq s THR 56 Ca 0.06 -2.07 0.19 0.00 -1.18 0.00 0.00 61.69 58.69 3juq s THR 56 Cb -0.19 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.39 3juq s THR 56 CO -0.11 -0.22 2.12 -2.24 -0.54 0.00 0.00 174.62 173.63 3juq h ASP 57 N 2.25 0.00 1.61 3.99 3.04 -1.95 -2.06 116.42 123.29 3juq h ASP 57 Ca -0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 3juq h ASP 57 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 3juq h ASP 57 CO 0.68 0.06 0.00 0.77 -2.04 0.00 0.00 179.24 178.71 3juq h SER 58 N 0.00 0.00 0.00 4.15 4.64 -2.01 -3.47 113.55 116.86 3juq h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3juq h SER 58 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3juq h SER 58 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3juq n GLY 59 N 0.85 1.53 3.82 -0.77 0.00 -0.78 -5.03 105.19 104.82 3juq n GLY 59 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3juq n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juq s GLN 60 N -0.49 3.03 0.63 1.61 -1.52 -1.26 -4.88 119.66 116.78 3juq s GLN 60 Ca 0.00 -0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 52.54 3juq s GLN 60 Cb 0.00 -2.78 -0.02 0.00 -0.22 0.00 0.00 33.01 30.00 3juq s GLN 60 CO 0.00 0.55 1.18 -2.14 -0.25 0.00 0.00 175.29 174.62 3juq s PRO 61 N -2.69 2.83 -0.54 2.91 0.02 -1.26 -4.50 135.00 131.76 3juq s PRO 61 Ca 0.31 1.69 -0.16 0.00 0.02 0.00 0.00 61.00 62.86 3juq s PRO 61 Cb -0.12 -1.93 0.13 0.00 0.02 0.00 0.00 34.50 32.60 3juq s PRO 61 CO 0.24 -1.28 0.51 0.42 -0.33 0.00 0.00 177.00 176.56 3juq s ILE 62 N -1.85 5.18 -0.19 2.83 1.01 0.60 -5.01 121.20 123.77 3juq s ILE 62 Ca 0.74 -1.44 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 3juq s ILE 62 Cb -0.27 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 3juq s ILE 62 CO 0.36 -0.88 0.06 0.00 0.00 0.00 0.00 174.94 174.48 3juq s ALA 63 N 1.69 3.35 -0.30 9.38 0.00 -1.26 -1.55 121.76 133.07 3juq s ALA 63 Ca 0.04 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3juq s ALA 63 Cb -0.29 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 3juq s ALA 63 CO 0.03 0.11 0.11 0.42 0.00 0.00 0.00 175.76 176.44 3juq s ILE 64 N 0.49 4.26 -0.32 0.00 1.01 0.72 -4.98 121.20 122.39 3juq s ILE 64 Ca 0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 3juq s ILE 64 Cb -0.13 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.20 3juq s ILE 64 CO 0.01 0.10 0.11 -0.13 0.00 0.00 0.00 174.94 175.03 3juq s ARG 65 N 1.56 2.92 0.00 2.79 0.52 -1.26 -1.70 118.95 123.77 3juq s ARG 65 Ca 0.04 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 3juq s ARG 65 Cb -0.17 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.84 3juq s ARG 65 CO 0.04 -0.55 0.00 0.41 0.02 0.00 0.00 175.30 175.22 3juq n GLY 66 N 4.87 3.04 0.24 -3.53 0.00 0.18 -4.55 105.19 105.44 3juq n GLY 66 Ca -0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 3juq n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3juq h ARG 67 N 0.00 0.48 -0.18 1.61 2.43 -1.13 -0.56 114.38 117.02 3juq h ARG 67 Ca 0.00 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3juq h ARG 67 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3juq h ARG 67 CO 0.00 0.32 -0.54 0.93 -1.51 0.00 0.00 179.97 179.17 3juq h GLU 68 N 0.49 0.54 -0.79 0.20 4.39 -1.91 -1.80 114.58 115.70 3juq h GLU 68 Ca 0.30 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3juq h GLU 68 Cb 0.32 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 3juq h GLU 68 CO -0.26 0.94 0.52 0.87 -1.16 0.00 0.00 179.01 179.93 3juq h LYS 69 N 0.42 1.04 -0.79 2.33 1.79 -1.73 -1.68 116.57 117.95 3juq h LYS 69 Ca 0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3juq h LYS 69 Cb 1.08 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.45 3juq h LYS 69 CO 0.10 0.69 0.50 -0.07 -1.08 0.00 0.00 179.45 179.58 3juq h LEU 70 N 1.07 0.94 -0.97 2.94 3.38 -0.80 -1.08 115.31 120.79 3juq h LEU 70 Ca 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3juq h LEU 70 Cb -0.12 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 3juq h LEU 70 CO -0.06 0.71 0.58 1.23 0.09 0.00 0.00 178.44 180.99 3juq h GLY 71 N 1.08 1.38 0.98 0.83 0.00 -0.92 -1.75 103.07 104.68 3juq h GLY 71 Ca 0.29 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3juq h GLY 71 CO -0.06 0.55 0.02 0.83 0.00 0.00 0.00 176.54 177.89 3juq h GLU 72 N 1.31 0.81 -0.15 4.80 5.08 -1.09 -2.66 114.58 122.68 3juq h GLU 72 Ca 0.34 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3juq h GLU 72 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3juq h GLU 72 CO -0.07 0.85 -0.12 1.25 -1.00 0.00 0.00 179.01 179.92 3juq h HIS 73 N 0.66 0.25 0.00 4.33 2.76 -0.95 -2.51 115.15 119.68 3juq h HIS 73 Ca 0.13 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 3juq h HIS 73 Cb 0.47 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 3juq h HIS 73 CO 0.04 0.36 -0.21 0.00 -1.30 0.00 0.00 177.93 176.81 3juq h ALA 74 N 1.66 1.43 -0.63 5.26 0.00 -0.96 -1.87 119.26 124.15 3juq h ALA 74 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3juq h ALA 74 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3juq h ALA 74 CO 0.02 0.26 0.22 0.28 0.00 0.00 0.00 179.25 180.04 3juq h VAL 75 N 0.00 1.24 -0.25 0.00 2.07 -1.39 -1.64 116.25 116.28 3juq h VAL 75 Ca -0.00 -0.79 -0.19 0.00 0.82 0.00 0.00 66.70 66.54 3juq h VAL 75 Cb 0.44 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3juq h VAL 75 CO 0.03 0.31 -0.58 -0.50 0.02 0.00 0.00 177.57 176.84 3juq h TRP 76 N 0.89 1.03 0.00 1.57 4.06 -1.45 -3.00 115.95 119.05 3juq h TRP 76 Ca 0.21 -0.38 -0.07 0.00 2.06 0.00 0.00 58.89 60.71 3juq h TRP 76 Cb 0.25 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3juq h TRP 76 CO 0.02 1.20 -0.31 0.77 -3.56 0.00 0.00 178.44 176.55 3juq h SER 77 N 0.61 0.00 0.24 -3.49 0.02 -1.26 -0.42 113.55 109.25 3juq h SER 77 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3juq h SER 77 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3juq h SER 77 CO 0.12 0.31 -0.39 0.25 -1.14 0.00 0.00 176.83 175.98 3juq h LEU 78 N 0.00 0.21 -0.21 5.07 5.85 -1.19 0.26 115.31 125.30 3juq h LEU 78 Ca -0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3juq h LEU 78 Cb 0.85 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3juq h LEU 78 CO 0.04 0.59 -0.05 1.56 -0.34 0.00 0.00 178.44 180.24 3juq h GLN 79 N 0.17 0.40 0.00 1.25 4.20 -1.30 -3.08 115.11 116.76 3juq h GLN 79 Ca 0.02 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 3juq h GLN 79 Cb 0.77 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3juq h GLN 79 CO 0.06 0.65 -0.81 0.00 -0.67 0.00 0.00 178.83 178.06 3juq n PHE 81 N -3.47 0.85 0.42 0.00 3.01 0.89 -0.83 117.46 118.33 3juq n PHE 81 Ca -0.00 -3.73 0.13 0.00 1.01 0.00 0.00 57.45 54.86 3juq n PHE 81 Cb 0.81 -0.30 0.50 0.00 -0.01 0.00 0.00 39.48 40.47 3juq n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3juq h PRO 82 N 4.52 0.00 0.00 -1.08 0.13 -1.69 -3.21 132.00 130.67 3juq h PRO 82 Ca 0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 3juq h PRO 82 Cb 0.82 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.79 3juq h PRO 82 CO 0.56 0.00 -0.66 -0.40 -0.23 0.00 0.00 178.00 177.27 3juq n ASP 83 N -2.39 0.92 -4.77 1.44 5.75 -1.26 -4.87 116.55 111.38 3juq n ASP 83 Ca 0.03 -2.40 -0.41 0.00 -0.01 0.00 0.00 54.79 51.99 3juq n ASP 83 Cb 0.28 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.05 3juq n ASP 83 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3juq s TRP 84 N -0.81 2.75 -0.00 2.11 -0.11 -1.21 -4.79 118.94 116.87 3juq s TRP 84 Ca 0.23 1.12 0.02 0.00 1.22 0.00 0.00 56.10 58.68 3juq s TRP 84 Cb 0.24 -3.95 -0.01 0.00 -1.50 0.00 0.00 33.47 28.25 3juq s TRP 84 CO -0.07 -2.88 -0.06 0.14 -4.62 0.00 0.00 176.95 169.45 3juq s VAL 85 N -0.78 0.48 0.06 5.86 -7.23 -0.82 -4.74 120.40 113.23 3juq s VAL 85 Ca 0.55 -0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 60.23 3juq s VAL 85 Cb -0.45 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.01 3juq s VAL 85 CO 0.56 0.10 0.54 0.26 -0.31 0.00 0.00 175.10 176.25 3juq s TRP 86 N -0.22 3.79 0.16 2.82 0.52 -1.26 -1.66 118.94 123.08 3juq s TRP 86 Ca 0.02 1.21 0.02 0.00 0.02 0.00 0.00 56.10 57.37 3juq s TRP 86 Cb -0.03 -2.45 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 3juq s TRP 86 CO -0.00 0.60 -0.02 0.95 0.02 0.00 0.00 176.95 178.50 3juq s THR 87 N -1.12 0.72 -1.35 2.01 -4.23 -0.23 -4.88 115.64 106.56 3juq s THR 87 Ca 0.28 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 3juq s THR 87 Cb -0.19 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.63 3juq s THR 87 CO 0.18 -0.57 0.55 -0.67 -0.54 0.00 0.00 174.62 173.58 3juq n ASP 88 N -0.20 -0.86 -4.70 3.99 2.03 -1.26 -0.58 116.55 114.98 3juq n ASP 88 Ca -0.08 -0.92 -0.42 0.00 0.52 0.00 0.00 54.79 53.89 3juq n ASP 88 Cb 0.63 -3.52 -0.03 0.00 -0.72 0.00 0.00 41.12 37.48 3juq n ASP 88 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3juq s ILE 89 N -3.81 4.57 -0.15 5.18 1.01 -1.26 -4.22 121.20 122.52 3juq s ILE 89 Ca 0.02 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.52 3juq s ILE 89 Cb -0.01 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3juq s ILE 89 CO 0.85 0.06 -0.15 -1.10 0.00 0.00 0.00 174.94 174.60 3juq s GLN 90 N 1.68 2.38 -0.17 2.79 -0.21 -0.08 -5.01 119.66 121.03 3juq s GLN 90 Ca 0.53 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 55.23 3juq s GLN 90 Cb -0.22 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 3juq s GLN 90 CO 0.23 -0.20 0.09 0.42 -2.12 0.00 0.00 175.29 173.71 3juq s ILE 91 N 1.37 5.08 -0.28 1.08 1.01 -1.26 -1.59 121.20 126.61 3juq s ILE 91 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 3juq s ILE 91 Cb -0.13 -3.28 0.04 0.00 0.01 0.00 0.00 42.46 39.10 3juq s ILE 91 CO -0.09 0.49 -0.02 -0.36 0.00 0.00 0.00 174.94 174.95 3juq s PHE 92 N 0.08 3.17 0.70 3.97 0.40 0.60 -5.02 117.98 121.88 3juq s PHE 92 Ca 0.07 -1.68 -0.14 0.00 -0.60 0.00 0.00 56.93 54.58 3juq s PHE 92 Cb -0.12 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.34 3juq s PHE 92 CO 0.00 -0.76 1.11 -1.21 0.70 0.00 0.00 175.22 175.06 3juq s GLU 93 N 1.30 2.59 0.46 0.44 2.02 -1.26 -1.58 118.70 122.66 3juq s GLU 93 Ca -0.02 1.36 0.03 0.00 0.02 0.00 0.00 54.97 56.36 3juq s GLU 93 Cb -0.18 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 3juq s GLU 93 CO -0.02 -1.41 0.09 0.95 0.02 0.00 0.00 175.26 174.88 3juq s THR 94 N -2.46 0.76 0.63 3.63 -4.23 -1.21 -4.86 115.64 107.90 3juq s THR 94 Ca 0.66 -2.00 0.44 0.00 -1.18 0.00 0.00 61.69 59.61 3juq s THR 94 Cb -0.20 -2.23 0.45 0.00 1.34 0.00 0.00 72.50 71.85 3juq s THR 94 CO 0.45 0.00 2.35 0.06 -0.54 0.00 0.00 174.62 176.95 3juq h GLN 95 N 1.59 0.00 -4.88 3.99 -0.00 -1.98 -3.38 115.11 110.43 3juq h GLN 95 Ca -0.38 0.00 -0.65 0.00 -0.00 0.00 0.00 58.65 57.62 3juq h GLN 95 Cb 1.29 0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 28.60 3juq h GLN 95 CO 0.62 0.00 -0.45 0.34 -0.00 0.00 0.00 178.83 179.34 3juq s ASP 96 N -5.20 6.08 0.38 0.06 -1.08 -1.26 -4.95 116.67 110.69 3juq s ASP 96 Ca -0.05 -0.12 0.27 0.00 -0.52 0.00 0.00 52.55 52.14 3juq s ASP 96 Cb 0.13 -2.14 1.32 0.00 -1.46 0.00 0.00 42.92 40.76 3juq s ASP 96 CO 0.42 -0.15 1.82 -0.65 0.52 0.00 0.00 175.17 177.13 3juq h PRO 97 N 8.39 0.00 -0.64 4.34 0.11 -1.89 -2.18 132.00 140.13 3juq h PRO 97 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3juq h PRO 97 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3juq h PRO 97 CO 0.60 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.48 3juq n ASN 98 N -2.46 4.43 -3.83 -2.05 3.02 -1.26 -4.23 115.26 108.88 3juq n ASN 98 Ca -0.00 -2.33 -0.21 0.00 -0.03 0.00 0.00 54.58 52.00 3juq n ASN 98 Cb 0.13 -0.53 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 3juq n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3juq s TRP 99 N -1.62 0.70 0.12 3.10 -0.11 -0.82 0.56 118.94 120.87 3juq s TRP 99 Ca 0.49 -0.19 0.06 0.00 1.22 0.00 0.00 56.10 57.68 3juq s TRP 99 Cb 0.30 -0.73 -0.04 0.00 -1.50 0.00 0.00 33.47 31.51 3juq s TRP 99 CO 0.26 -0.26 -0.15 -0.06 -4.62 0.00 0.00 176.95 172.12 3juq s PHE 100 N 1.44 1.44 0.05 5.86 0.40 0.07 -3.32 117.98 123.92 3juq s PHE 100 Ca -0.03 -0.53 0.09 0.00 -0.60 0.00 0.00 56.93 55.85 3juq s PHE 100 Cb -0.13 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 3juq s PHE 100 CO -0.03 0.16 -0.25 -1.58 0.70 0.00 0.00 175.22 174.22 3juq s TRP 101 N -2.02 2.16 -0.06 0.36 0.52 -0.62 -0.64 118.94 118.65 3juq s TRP 101 Ca 0.09 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.85 3juq s TRP 101 Cb -0.06 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.97 3juq s TRP 101 CO 0.03 0.12 -0.21 0.08 0.02 0.00 0.00 176.95 176.99 3juq s VAL 102 N -0.80 1.79 -0.13 4.03 1.01 0.02 -0.29 120.40 126.03 3juq s VAL 102 Ca 0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3juq s VAL 102 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3juq s VAL 102 CO 0.02 0.50 -0.09 -0.70 0.00 0.00 0.00 175.10 174.83 3juq s GLU 103 N 0.03 3.41 0.35 2.72 2.12 -0.62 -0.74 118.70 125.97 3juq s GLU 103 Ca -0.07 -0.62 -0.07 0.00 0.36 0.00 0.00 54.97 54.58 3juq s GLU 103 Cb -0.14 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.56 3juq s GLU 103 CO 0.04 0.27 0.58 0.00 -0.54 0.00 0.00 175.26 175.61 3juq s ARG 105 N -2.46 2.23 -0.16 0.00 0.52 0.26 -0.77 118.95 118.57 3juq s ARG 105 Ca 0.22 -2.22 -0.28 0.00 -0.52 0.00 0.00 55.73 52.93 3juq s ARG 105 Cb -0.02 -1.83 0.07 0.00 0.52 0.00 0.00 34.95 33.69 3juq s ARG 105 CO 0.16 -0.53 0.72 0.20 0.02 0.00 0.00 175.30 175.86 3juq s GLY 106 N -4.12 -0.54 -0.04 -3.53 0.00 -0.87 -1.07 107.32 97.15 3juq s GLY 106 Ca 0.19 1.68 -0.14 0.00 0.00 0.00 0.00 44.72 46.45 3juq s GLY 106 CO 0.12 1.33 0.33 1.85 0.00 0.00 0.00 173.10 176.73 3juq s GLU 107 N -0.47 0.61 0.00 2.90 2.12 -0.66 -1.85 118.70 121.35 3juq s GLU 107 Ca -0.06 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3juq s GLU 107 Cb -0.02 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.64 3juq s GLU 107 CO 0.05 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3juq n GLY 108 N 1.68 0.26 3.76 -1.50 0.00 -0.41 -1.95 105.19 107.03 3juq n GLY 108 Ca -0.19 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3juq n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juq s ALA 109 N -2.00 3.03 -0.14 4.61 0.00 -1.26 -0.68 121.76 125.32 3juq s ALA 109 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.21 3juq s ALA 109 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3juq s ALA 109 CO 0.00 -1.04 -0.18 -1.50 0.00 0.00 0.00 175.76 173.03 3juq s ILE 110 N -1.33 2.45 -0.47 0.00 2.07 -0.02 -4.23 121.20 119.67 3juq s ILE 110 Ca 0.64 -0.85 0.04 0.00 -1.41 0.00 0.00 60.65 59.07 3juq s ILE 110 Cb -0.38 -2.01 0.17 0.00 0.13 0.00 0.00 42.46 40.37 3juq s ILE 110 CO 0.46 0.53 0.36 -0.69 -1.91 0.00 0.00 174.94 173.69 3juq s VAL 111 N 0.72 0.93 -0.12 4.00 1.01 -0.01 -1.44 120.40 125.48 3juq s VAL 111 Ca -0.08 -2.94 -0.05 0.00 0.00 0.00 0.00 61.98 58.91 3juq s VAL 111 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3juq s VAL 111 CO 0.01 -1.16 0.08 -0.36 0.00 0.00 0.00 175.10 173.68 3juq s PHE 112 N -0.19 3.39 0.21 5.22 2.99 -1.26 -4.28 117.98 124.07 3juq s PHE 112 Ca 0.29 0.35 -0.31 0.00 0.00 0.00 0.00 56.93 57.27 3juq s PHE 112 Cb -0.01 -1.90 -0.10 0.00 0.00 0.00 0.00 43.02 41.01 3juq s PHE 112 CO -0.17 0.56 1.49 -2.14 -0.00 0.00 0.00 175.22 174.97 3juq s PRO 113 N -0.79 4.25 0.00 0.24 0.02 -1.26 -2.21 135.00 135.25 3juq s PRO 113 Ca 0.13 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3juq s PRO 113 Cb -0.12 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3juq s PRO 113 CO 0.03 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3juq n GLY 114 N 2.88 0.38 3.37 0.52 0.00 -1.26 -5.05 105.19 106.03 3juq n GLY 114 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3juq n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3juq s TYR 115 N -2.00 1.91 0.61 1.61 1.51 -0.94 -5.13 117.35 114.92 3juq s TYR 115 Ca 0.00 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.40 3juq s TYR 115 Cb 0.00 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3juq s TYR 115 CO 0.00 0.44 1.26 -2.14 -1.11 0.00 0.00 175.55 174.00 3juq s PRO 116 N -3.27 2.84 0.38 -1.71 0.02 -1.26 -4.60 135.00 127.40 3juq s PRO 116 Ca 0.22 1.97 -0.28 0.00 0.02 0.00 0.00 61.00 62.93 3juq s PRO 116 Cb -0.04 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 3juq s PRO 116 CO 0.09 -1.35 1.47 0.50 -0.33 0.00 0.00 177.00 177.37 3juq s ARG 117 N -3.28 4.07 0.12 5.54 3.52 -1.26 -4.71 118.95 122.96 3juq s ARG 117 Ca 0.79 2.53 0.01 0.00 -0.13 0.00 0.00 55.73 58.92 3juq s ARG 117 Cb -0.35 -2.93 -0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3juq s ARG 117 CO 0.38 -0.54 0.13 0.41 -0.81 0.00 0.00 175.30 174.86 3juq n GLY 118 N 0.50 3.24 3.11 8.12 0.00 -0.52 -5.00 105.19 114.64 3juq n GLY 118 Ca 0.01 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3juq n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3juq s GLN 119 N -2.39 2.85 -0.16 1.61 2.00 -1.26 -0.84 119.66 121.47 3juq s GLN 119 Ca 0.12 -0.91 -0.05 0.00 -2.00 0.00 0.00 55.36 52.52 3juq s GLN 119 Cb 0.00 -2.62 -0.03 0.00 0.80 0.00 0.00 33.01 31.16 3juq s GLN 119 CO 0.09 -0.27 -0.01 -0.47 -0.50 0.00 0.00 175.29 174.13 3juq s TYR 120 N 1.26 3.09 0.02 1.67 5.04 0.14 -4.59 117.35 123.99 3juq s TYR 120 Ca 0.03 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 3juq s TYR 120 Cb -0.14 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 3juq s TYR 120 CO -0.12 0.02 -0.08 1.03 -1.34 0.00 0.00 175.55 175.07 3juq s ARG 121 N 0.35 0.57 0.34 4.97 0.52 -1.26 -1.29 118.95 123.16 3juq s ARG 121 Ca -0.02 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 3juq s ARG 121 Cb -0.14 -0.47 0.03 0.00 0.52 0.00 0.00 34.95 34.90 3juq s ARG 121 CO 0.02 0.11 0.71 1.21 0.02 0.00 0.00 175.30 177.37 3juq s ASN 122 N -0.92 0.02 -0.09 0.23 3.04 -0.77 -4.77 114.94 111.69 3juq s ASN 122 Ca -0.03 -1.01 -0.01 0.00 0.04 0.00 0.00 52.86 51.84 3juq s ASN 122 Cb -0.06 0.77 -0.03 0.00 -1.54 0.00 0.00 41.25 40.39 3juq s ASN 122 CO 0.00 -1.50 -0.02 -2.28 -3.04 0.00 0.00 177.10 170.26 3juq s HIS 123 N -3.00 3.08 0.04 0.43 5.65 -1.26 -2.04 115.29 118.18 3juq s HIS 123 Ca 0.16 0.10 0.03 0.00 0.25 0.00 0.00 55.06 55.61 3juq s HIS 123 Cb -0.04 -1.78 -0.02 0.00 -1.18 0.00 0.00 32.58 29.56 3juq s HIS 123 CO 0.11 0.39 -0.10 -0.06 -0.65 0.00 0.00 174.74 174.43 3juq s PHE 124 N -0.76 0.84 -0.05 3.88 0.40 0.05 -4.26 117.98 118.09 3juq s PHE 124 Ca 0.12 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 3juq s PHE 124 Cb -0.11 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 3juq s PHE 124 CO 0.02 -0.02 -0.25 -0.51 0.70 0.00 0.00 175.22 175.16 3juq s LEU 125 N -1.27 2.06 -0.02 -0.37 1.43 -0.19 -1.33 118.68 118.98 3juq s LEU 125 Ca -0.04 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3juq s LEU 125 Cb -0.08 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 3juq s LEU 125 CO 0.01 0.25 -0.23 -1.00 0.23 0.00 0.00 176.35 175.61 3juq s HIS 126 N -0.20 2.09 -0.13 0.29 3.76 0.08 -0.11 115.29 121.08 3juq s HIS 126 Ca -0.02 -0.44 -0.04 0.00 -0.15 0.00 0.00 55.06 54.41 3juq s HIS 126 Cb -0.13 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 3juq s HIS 126 CO 0.03 -0.07 0.01 0.45 -0.85 0.00 0.00 174.74 174.32 3juq s SER 127 N -0.45 5.27 -0.12 1.40 0.15 -0.02 -0.80 113.70 119.13 3juq s SER 127 Ca 0.06 0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.79 3juq s SER 127 Cb -0.10 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 3juq s SER 127 CO -0.00 0.28 -0.10 -0.36 1.20 0.00 0.00 173.24 174.27 3juq s PHE 128 N -0.31 1.69 -0.13 3.44 0.08 0.19 -1.41 117.98 121.53 3juq s PHE 128 Ca 0.07 -0.89 -0.02 0.00 0.12 0.00 0.00 56.93 56.21 3juq s PHE 128 Cb -0.12 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 3juq s PHE 128 CO 0.02 -0.56 -0.05 1.03 -0.10 0.00 0.00 175.22 175.56 3juq s ARG 129 N 1.63 3.45 0.18 0.44 0.52 0.29 -0.75 118.95 124.71 3juq s ARG 129 Ca 0.05 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 54.80 3juq s ARG 129 Cb -0.13 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 3juq s ARG 129 CO -0.09 0.34 -0.02 -0.06 0.02 0.00 0.00 175.30 175.50 3juq s PHE 130 N 0.08 2.81 -0.12 -0.53 0.08 0.19 -0.51 117.98 119.98 3juq s PHE 130 Ca -0.01 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 3juq s PHE 130 Cb -0.14 -1.36 0.05 0.00 -0.57 0.00 0.00 43.02 41.01 3juq s PHE 130 CO 0.03 0.52 0.26 -2.00 -0.10 0.00 0.00 175.22 173.93 3juq s GLU 131 N -2.95 0.20 -1.50 0.44 2.12 -0.11 -4.77 118.70 112.13 3juq s GLU 131 Ca 0.27 0.62 -0.13 0.00 0.36 0.00 0.00 54.97 56.09 3juq s GLU 131 Cb -0.09 -0.09 0.07 0.00 0.26 0.00 0.00 34.13 34.28 3juq s GLU 131 CO 0.18 -0.20 1.01 0.09 -0.54 0.00 0.00 175.26 175.80 3juq n ASN 132 N 4.58 -4.94 0.00 -1.70 3.02 -1.26 -1.94 115.26 113.01 3juq n ASN 132 Ca -0.19 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3juq n ASN 132 Cb 0.52 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3juq n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3juq n GLY 133 N -1.74 0.50 3.38 7.41 0.00 -1.26 -4.99 105.19 108.48 3juq n GLY 133 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3juq n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3juq s LEU 134 N 0.00 2.47 -0.14 0.99 1.43 -0.82 -4.92 118.68 117.69 3juq s LEU 134 Ca 0.00 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.90 3juq s LEU 134 Cb 0.00 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 3juq s LEU 134 CO 0.00 0.00 1.20 -0.63 0.23 0.00 0.00 176.35 177.15 3juq s ILE 135 N -2.11 4.36 -0.01 -0.59 1.01 0.38 -0.94 121.20 123.30 3juq s ILE 135 Ca 0.20 1.66 0.07 0.00 0.00 0.00 0.00 60.65 62.58 3juq s ILE 135 Cb -0.06 -4.07 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 3juq s ILE 135 CO 0.09 -0.10 0.77 0.50 0.00 0.00 0.00 174.94 176.20 3juq h LYS 136 N 7.83 0.06 -2.47 2.79 1.63 -1.10 -0.41 116.57 124.91 3juq h LYS 136 Ca -0.28 -0.11 -0.08 0.00 -0.85 0.00 0.00 60.65 59.34 3juq h LYS 136 Cb 1.11 0.04 -0.26 0.00 -0.60 0.00 0.00 32.23 32.53 3juq h LYS 136 CO 0.94 0.75 -0.29 -2.00 -3.45 0.00 0.00 179.45 175.40 3juq s GLU 137 N -2.62 0.40 -0.07 1.90 2.12 -0.93 -1.42 118.70 118.08 3juq s GLU 137 Ca -0.06 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.32 3juq s GLU 137 Cb 0.08 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.71 3juq s GLU 137 CO 0.82 -0.21 -0.20 -1.14 -0.54 0.00 0.00 175.26 173.99 3juq s GLN 138 N 2.17 2.74 -0.03 4.30 -0.44 0.37 -0.55 119.66 128.23 3juq s GLN 138 Ca -0.05 -0.82 0.01 0.00 -2.50 0.00 0.00 55.36 52.00 3juq s GLN 138 Cb -0.10 -2.31 0.01 0.00 -1.64 0.00 0.00 33.01 28.97 3juq s GLN 138 CO -0.14 0.39 -0.04 1.03 0.50 0.00 0.00 175.29 177.02 3juq s ARG 139 N -0.15 0.61 -0.12 1.67 0.52 -0.50 -2.65 118.95 118.33 3juq s ARG 139 Ca -0.03 -0.12 -0.02 0.00 -0.52 0.00 0.00 55.73 55.03 3juq s ARG 139 Cb -0.14 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.67 3juq s ARG 139 CO 0.04 -0.00 -0.03 -2.00 0.02 0.00 0.00 175.30 173.33 3juq s GLU 140 N 0.50 3.32 -0.12 3.54 2.12 -0.40 -0.84 118.70 126.81 3juq s GLU 140 Ca -0.06 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.80 3juq s GLU 140 Cb -0.10 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.48 3juq s GLU 140 CO -0.00 0.45 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.94 3juq s PHE 141 N -0.21 2.23 0.18 5.30 0.40 0.85 -0.52 117.98 126.21 3juq s PHE 141 Ca 0.04 -1.09 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3juq s PHE 141 Cb -0.13 -1.57 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 3juq s PHE 141 CO 0.02 -0.54 0.22 0.00 0.70 0.00 0.00 175.22 175.63 3juq n MET 142 N 4.19 0.32 -3.30 0.44 0.00 -1.26 -1.03 117.12 116.48 3juq n MET 142 Ca -0.19 -1.50 -0.44 0.00 0.00 0.00 0.00 57.70 55.57 3juq n MET 142 Cb 0.51 1.38 -0.08 0.00 0.00 0.00 0.00 33.22 35.03 3juq n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3juq s ASN 143 N -2.13 6.18 0.64 3.17 3.84 -1.26 -4.82 114.94 120.57 3juq s ASN 143 Ca 0.16 -0.95 0.35 0.00 0.21 0.00 0.00 52.86 52.63 3juq s ASN 143 Cb -0.00 -2.23 1.93 0.00 -0.55 0.00 0.00 41.25 40.40 3juq s ASN 143 CO 0.12 -0.68 2.16 -0.65 -2.79 0.00 0.00 177.10 175.25 3juq h PRO 144 N 8.81 0.00 -0.42 0.43 0.11 -1.95 -1.88 132.00 137.09 3juq h PRO 144 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3juq h PRO 144 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3juq h PRO 144 CO 0.86 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.75 3juq h GLU 146 N 0.61 0.02 -0.09 0.00 4.39 -1.68 -1.73 114.58 116.10 3juq h GLU 146 Ca 0.14 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.59 3juq h GLU 146 Cb 0.24 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3juq h GLU 146 CO -0.00 0.46 -0.90 0.37 -1.16 0.00 0.00 179.01 177.78 3juq h GLN 147 N 0.02 0.76 -0.33 2.33 4.15 -1.37 -2.68 115.11 117.99 3juq h GLN 147 Ca -0.00 -0.70 0.07 0.00 0.77 0.00 0.00 58.65 58.79 3juq h GLN 147 Cb 0.79 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.57 3juq h GLN 147 CO 0.06 1.29 -0.34 0.74 -1.93 0.00 0.00 178.83 178.65 3juq h PHE 148 N 0.47 -0.97 -0.96 3.99 0.04 -0.89 -2.12 116.94 116.51 3juq h PHE 148 Ca -0.09 0.05 0.15 0.00 2.80 0.00 0.00 57.97 60.89 3juq h PHE 148 Cb 1.54 0.47 -0.09 0.00 2.20 0.00 0.00 35.95 40.06 3juq h PHE 148 CO 0.10 -0.40 0.58 0.00 -0.60 0.00 0.00 178.31 177.98 3juq h ARG 149 N -0.31 0.80 0.00 1.51 3.08 -1.24 -0.60 114.38 117.62 3juq h ARG 149 Ca 0.15 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3juq h ARG 149 Cb 0.55 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3juq h ARG 149 CO -0.50 0.53 -0.10 0.66 -1.07 0.00 0.00 179.97 179.49 3juq h SER 150 N 0.82 0.00 -0.13 7.04 4.64 -1.05 -2.37 113.55 122.50 3juq h SER 150 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3juq h SER 150 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3juq h SER 150 CO -0.33 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 175.91 3juq n LEU 151 N -3.55 2.85 -0.79 5.97 4.77 -0.35 -4.34 117.00 121.56 3juq n LEU 151 Ca -0.02 -1.05 -0.09 0.00 -0.03 0.00 0.00 56.01 54.82 3juq n LEU 151 Cb 0.23 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3juq n LEU 151 CO 0.29 0.52 -0.09 0.61 -1.33 0.00 0.00 177.39 177.39 3juq n GLY 152 N 1.36 0.80 3.76 -0.72 0.00 -0.89 -4.53 105.19 104.97 3juq n GLY 152 Ca 0.16 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3juq n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3juq s ILE 153 N -2.37 5.08 0.16 -0.61 1.01 -0.50 -5.01 121.20 118.96 3juq s ILE 153 Ca 0.00 0.96 -0.31 0.00 0.00 0.00 0.00 60.65 61.30 3juq s ILE 153 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 3juq s ILE 153 CO 0.00 0.43 1.43 -0.70 0.00 0.00 0.00 174.94 176.10 3juq s GLU 154 N -0.07 4.29 -0.27 2.79 2.12 -1.26 -4.00 118.70 122.30 3juq s GLU 154 Ca 0.26 2.18 -0.19 0.00 0.36 0.00 0.00 54.97 57.58 3juq s GLU 154 Cb -0.16 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3juq s GLU 154 CO 0.12 -0.46 0.58 0.08 -0.54 0.00 0.00 175.26 175.04 3juq s VAL 155 N 0.81 5.02 0.53 3.70 1.01 -1.26 -5.01 120.40 125.21 3juq s VAL 155 Ca 0.64 0.96 -0.20 0.00 0.00 0.00 0.00 61.98 63.38 3juq s VAL 155 Cb -0.39 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 3juq s VAL 155 CO 0.33 0.02 0.88 -2.65 0.00 0.00 0.00 175.10 173.69 3juq n PRO 156 N 5.66 0.96 -5.05 2.72 -0.02 -1.26 -5.02 135.00 133.00 3juq n PRO 156 Ca -0.02 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 3juq n PRO 156 Cb 0.49 -2.02 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 3juq n PRO 156 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3juq s GLU 157 N -2.36 1.88 -0.26 -0.52 2.02 -1.26 -5.10 118.70 113.09 3juq s GLU 157 Ca 0.70 -1.00 -0.09 0.00 0.02 0.00 0.00 54.97 54.60 3juq s GLU 157 Cb -0.47 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3juq s GLU 157 CO 0.52 0.51 0.12 0.08 0.02 0.00 0.00 175.26 176.52 3juq s VAL 158 N -0.70 4.75 0.11 2.63 1.01 -1.26 -5.07 120.40 121.87 3juq s VAL 158 Ca 0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 3juq s VAL 158 Cb -0.10 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3juq s VAL 158 CO 0.01 0.30 1.39 -0.13 0.00 0.00 0.00 175.10 176.66 3juq s ARG 159 N 1.68 4.32 -0.79 2.72 0.52 -1.26 -4.99 118.95 121.15 3juq s ARG 159 Ca 0.07 2.07 0.02 0.00 -0.52 0.00 0.00 55.73 57.37 3juq s ARG 159 Cb -0.16 -3.27 0.25 0.00 0.52 0.00 0.00 34.95 32.29 3juq s ARG 159 CO 0.07 -0.45 0.87 0.54 0.02 0.00 0.00 175.30 176.35 3juq n ARG 160 N 4.06 2.85 -2.48 3.54 1.74 -1.26 -5.07 116.66 120.04 3juq n ARG 160 Ca 0.12 -4.59 -0.42 0.00 -0.77 0.00 0.00 57.85 52.19 3juq n ARG 160 Cb 0.42 -2.34 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 3juq n ARG 160 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3juq s ASP 161 N -1.77 7.18 0.00 0.55 1.11 -1.26 -2.99 116.67 119.49 3juq s ASP 161 Ca 0.34 2.03 0.00 0.00 0.18 0.00 0.00 52.55 55.10 3juq s ASP 161 Cb 0.06 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3juq s ASP 161 CO -0.03 -0.35 0.00 0.61 1.18 0.00 0.00 175.17 176.58 3juq n GLY 162 N 2.66 2.39 0.00 0.21 0.00 -1.26 -5.34 105.19 103.84 3juq n GLY 162 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3juq n GLY 162 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22