#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myj s LEU 2 N 0.00 3.22 0.79 0.99 1.02 -1.26 -5.09 118.68 118.35 1myj s LEU 2 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 1myj s LEU 2 Cb 0.00 -2.65 0.08 0.00 0.02 0.00 0.00 46.19 43.65 1myj s LEU 2 CO 0.00 -1.28 1.15 -0.94 0.02 0.00 0.00 176.35 175.30 1myj s SER 3 N -4.49 4.48 0.25 2.29 1.04 -1.26 -4.82 113.70 111.19 1myj s SER 3 Ca 0.59 0.66 -0.03 0.00 0.48 0.00 0.00 55.95 57.66 1myj s SER 3 Cb -0.09 -1.16 0.46 0.00 0.10 0.00 0.00 66.02 65.33 1myj s SER 3 CO 0.39 -1.89 1.80 0.44 0.98 0.00 0.00 173.24 174.96 1myj h ASP 4 N -0.98 0.64 -0.69 7.02 3.32 -1.99 -0.58 116.42 123.16 1myj h ASP 4 Ca -0.45 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1myj h ASP 4 Cb 1.32 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1myj h ASP 4 CO 0.63 0.34 0.38 1.23 -1.72 0.00 0.00 179.24 180.09 1myj h GLY 5 N 0.75 1.05 1.05 2.75 0.00 -2.00 -1.66 103.07 105.01 1myj h GLY 5 Ca 0.43 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 1myj h GLY 5 CO -0.29 0.45 -0.54 0.83 0.00 0.00 0.00 176.54 176.99 1myj h GLU 6 N 0.99 0.73 -0.36 4.80 5.08 -1.57 -2.63 114.58 121.63 1myj h GLU 6 Ca 0.25 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1myj h GLU 6 Cb 0.04 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1myj h GLU 6 CO -0.04 1.13 0.12 -1.49 -1.00 0.00 0.00 179.01 177.74 1myj h TRP 7 N 0.45 0.50 -0.35 4.33 -0.00 -0.81 -2.25 115.95 117.82 1myj h TRP 7 Ca -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.83 1myj h TRP 7 Cb 1.16 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 30.15 1myj h TRP 7 CO 0.09 0.42 0.11 0.37 -0.00 0.00 0.00 178.44 179.43 1myj h GLN 8 N 0.50 0.55 -0.30 0.49 5.75 -1.13 -0.28 115.11 120.69 1myj h GLN 8 Ca 0.12 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1myj h GLN 8 Cb 0.14 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 1myj h GLN 8 CO -0.01 0.57 0.02 -0.07 -2.65 0.00 0.00 178.83 176.69 1myj h LEU 9 N 0.42 -0.07 0.24 -2.39 3.38 -1.04 -1.11 115.31 114.73 1myj h LEU 9 Ca 0.11 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1myj h LEU 9 Cb 0.25 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1myj h LEU 9 CO -0.00 -0.00 -0.44 0.58 0.09 0.00 0.00 178.44 178.66 1myj h VAL 10 N 0.12 0.12 -0.30 1.22 2.07 -1.34 -0.30 116.25 117.84 1myj h VAL 10 Ca 0.14 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 1myj h VAL 10 Cb 0.18 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1myj h VAL 10 CO -0.22 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.20 1myj h LEU 11 N -0.76 0.47 -0.26 2.57 3.38 -0.95 -1.69 115.31 118.06 1myj h LEU 11 Ca -0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1myj h LEU 11 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1myj h LEU 11 CO -0.18 0.61 -0.09 0.78 0.09 0.00 0.00 178.44 179.65 1myj h ASN 12 N 0.46 0.54 0.44 -0.43 4.21 -1.02 -1.86 115.58 117.93 1myj h ASN 12 Ca 0.09 -0.39 -0.14 0.00 1.21 0.00 0.00 56.30 57.08 1myj h ASN 12 Cb 0.45 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1myj h ASN 12 CO 0.02 0.80 -0.59 1.62 -1.29 0.00 0.00 177.43 178.00 1myj h VAL 13 N 0.27 1.40 0.00 2.81 3.04 -0.75 -2.64 116.25 120.38 1myj h VAL 13 Ca 0.06 -1.97 -0.03 0.00 -1.01 0.00 0.00 66.70 63.75 1myj h VAL 13 Cb 0.58 2.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1myj h VAL 13 CO 0.03 0.57 -0.13 -0.25 -1.01 0.00 0.00 177.57 176.78 1myj h TRP 14 N 0.11 0.00 -0.84 3.17 2.91 -1.25 -0.71 115.95 119.35 1myj h TRP 14 Ca -0.00 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.04 1myj h TRP 14 Cb 1.07 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.67 1myj h TRP 14 CO 0.01 0.13 0.55 0.78 -1.03 0.00 0.00 178.44 178.89 1myj h GLY 15 N 0.68 1.19 1.37 2.65 0.00 -0.94 -0.58 103.07 107.44 1myj h GLY 15 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1myj h GLY 15 CO 0.02 0.38 -0.11 0.50 0.00 0.00 0.00 176.54 177.32 1myj h LYS 16 N 1.07 0.75 -0.34 4.80 1.79 -1.22 -2.63 116.57 120.79 1myj h LYS 16 Ca 0.32 -0.25 -0.14 0.00 -2.18 0.00 0.00 60.65 58.41 1myj h LYS 16 Cb -0.02 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1myj h LYS 16 CO -0.09 0.83 -0.34 0.28 -1.08 0.00 0.00 179.45 179.05 1myj h VAL 17 N 0.68 1.28 0.00 0.50 2.07 -1.10 -3.09 116.25 116.58 1myj h VAL 17 Ca 0.12 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1myj h VAL 17 Cb 0.58 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1myj h VAL 17 CO 0.04 0.49 -0.01 -0.33 0.02 0.00 0.00 177.57 177.78 1myj h GLU 18 N 0.64 0.00 0.00 1.57 5.08 -0.78 0.81 114.58 121.91 1myj h GLU 18 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1myj h GLU 18 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1myj h GLU 18 CO 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1myj n ALA 19 N -2.27 2.39 -2.73 3.43 0.00 -1.13 -4.21 120.51 115.98 1myj n ALA 19 Ca -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1myj n ALA 19 Cb 0.09 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.14 1myj n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myj n ASP 20 N -1.35 -2.40 -0.01 0.00 2.03 0.27 -5.04 116.55 110.05 1myj n ASP 20 Ca 0.12 -3.15 -0.12 0.00 0.52 0.00 0.00 54.79 52.15 1myj n ASP 20 Cb 0.26 1.69 -0.07 0.00 -0.72 0.00 0.00 41.12 42.28 1myj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myj h VAL 21 N 2.60 1.17 -0.15 5.18 2.07 -1.23 -2.43 116.25 123.47 1myj h VAL 21 Ca -0.16 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1myj h VAL 21 Cb 1.09 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1myj h VAL 21 CO 0.18 0.15 -0.45 0.00 0.02 0.00 0.00 177.57 177.46 1myj h ALA 22 N 0.83 0.96 -0.13 1.67 0.00 -1.88 -0.64 119.26 120.07 1myj h ALA 22 Ca 0.02 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1myj h ALA 22 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1myj h ALA 22 CO -0.00 0.64 -0.65 0.78 0.00 0.00 0.00 179.25 180.01 1myj h GLY 23 N 1.21 0.53 1.21 0.00 0.00 -1.90 -0.08 103.07 104.03 1myj h GLY 23 Ca 0.02 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 1myj h GLY 23 CO 0.08 0.61 -0.19 0.45 0.00 0.00 0.00 176.54 177.49 1myj h HIS 24 N 0.35 1.04 -0.35 5.60 3.86 -1.32 -2.76 115.15 121.57 1myj h HIS 24 Ca -0.02 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 58.90 1myj h HIS 24 Cb 1.21 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 1myj h HIS 24 CO 0.05 1.02 -0.00 0.78 0.86 0.00 0.00 177.93 180.63 1myj h GLY 25 N 0.93 0.67 0.97 2.45 0.00 -0.86 -1.28 103.07 105.94 1myj h GLY 25 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1myj h GLY 25 CO 0.06 0.46 -0.17 -1.61 0.00 0.00 0.00 176.54 175.28 1myj h GLN 26 N 0.43 -0.45 -0.97 4.80 4.15 -0.96 -2.51 115.11 119.59 1myj h GLN 26 Ca 0.10 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.61 1myj h GLN 26 Cb 0.46 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 1myj h GLN 26 CO 0.02 -0.27 0.63 0.93 -1.93 0.00 0.00 178.83 178.21 1myj h GLU 27 N -0.50 1.12 -0.17 1.69 5.08 -1.38 -0.13 114.58 120.28 1myj h GLU 27 Ca -0.05 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1myj h GLU 27 Cb 0.38 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1myj h GLU 27 CO 0.08 0.74 0.09 0.28 -1.00 0.00 0.00 179.01 179.20 1myj h VAL 28 N 1.15 1.09 -0.17 3.13 2.07 -1.05 -0.67 116.25 121.81 1myj h VAL 28 Ca 0.41 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.53 1myj h VAL 28 Cb 0.14 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1myj h VAL 28 CO -0.15 0.09 -0.55 -0.07 0.02 0.00 0.00 177.57 176.91 1myj h LEU 29 N 0.18 0.55 -0.16 2.57 3.38 -1.00 -1.96 115.31 118.86 1myj h LEU 29 Ca 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1myj h LEU 29 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1myj h LEU 29 CO -0.01 0.99 0.08 0.40 0.09 0.00 0.00 178.44 179.98 1myj h ILE 30 N 0.38 1.13 -0.80 1.22 2.04 -0.83 -1.35 117.51 119.30 1myj h ILE 30 Ca 0.01 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.57 1myj h ILE 30 Cb 1.08 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 1myj h ILE 30 CO 0.10 0.12 0.47 0.03 0.00 0.00 0.00 178.15 178.87 1myj h ARG 31 N 0.13 0.82 -0.41 2.37 2.47 -0.97 -0.98 114.38 117.80 1myj h ARG 31 Ca 0.05 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1myj h ARG 31 Cb 0.12 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 1myj h ARG 31 CO -0.01 0.54 0.05 1.25 0.56 0.00 0.00 179.97 182.37 1myj h LEU 32 N 0.84 0.67 -0.63 3.04 5.85 -1.21 -0.27 115.31 123.60 1myj h LEU 32 Ca 0.36 -0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1myj h LEU 32 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1myj h LEU 32 CO -0.20 0.77 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.79 1myj h PHE 33 N 0.54 0.28 0.23 1.25 0.04 -0.76 0.15 116.94 118.67 1myj h PHE 33 Ca 0.12 -0.11 -0.33 0.00 2.80 0.00 0.00 57.97 60.46 1myj h PHE 33 Cb 0.40 -0.05 0.03 0.00 2.20 0.00 0.00 35.95 38.53 1myj h PHE 33 CO 0.03 0.78 -1.43 0.87 -0.60 0.00 0.00 178.31 177.96 1myj h LYS 34 N 0.16 0.51 -0.05 1.51 1.57 -1.22 -2.78 116.57 116.26 1myj h LYS 34 Ca -0.01 -0.85 -0.12 0.00 -1.87 0.00 0.00 60.65 57.80 1myj h LYS 34 Cb 1.14 0.31 0.01 0.00 0.08 0.00 0.00 32.23 33.77 1myj h LYS 34 CO 0.10 1.41 -0.45 0.78 -0.57 0.00 0.00 179.45 180.71 1myj h GLY 35 N 0.40 0.44 -6.51 3.86 0.00 -0.94 -3.40 103.07 96.92 1myj h GLY 35 Ca -0.23 -0.67 -0.59 0.00 0.00 0.00 0.00 47.33 45.84 1myj h GLY 35 CO 0.26 0.59 -0.90 0.30 0.00 0.00 0.00 176.54 176.80 1myj s HIS 36 N -3.49 1.47 0.56 5.60 3.76 0.03 -5.01 115.29 118.22 1myj s HIS 36 Ca -0.14 -2.44 0.32 0.00 -0.15 0.00 0.00 55.06 52.65 1myj s HIS 36 Cb 0.04 -1.22 1.47 0.00 1.11 0.00 0.00 32.58 33.97 1myj s HIS 36 CO 0.80 -0.78 1.83 -1.35 -0.85 0.00 0.00 174.74 174.38 1myj h PRO 37 N 5.72 0.00 0.00 8.40 0.11 -1.68 -0.91 132.00 143.64 1myj h PRO 37 Ca 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1myj h PRO 37 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1myj h PRO 37 CO 0.42 0.00 -0.06 1.05 -0.21 0.00 0.00 178.00 179.20 1myj h GLU 38 N 0.00 0.00 -0.09 1.05 9.09 -1.92 -2.43 114.58 120.28 1myj h GLU 38 Ca 0.41 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.71 1myj h GLU 38 Cb 1.80 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.89 1myj h GLU 38 CO -0.00 0.06 -0.46 1.79 0.05 0.00 0.00 179.01 180.45 1myj h THR 39 N 0.00 1.33 -0.79 -1.06 1.35 -1.49 -3.23 112.91 109.03 1myj h THR 39 Ca -0.00 -1.62 0.09 0.00 -0.55 0.00 0.00 66.41 64.33 1myj h THR 39 Cb 0.19 1.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 1myj h THR 39 CO 0.01 0.48 0.51 0.25 -0.25 0.00 0.00 175.52 176.52 1myj h LEU 40 N 0.17 0.66 -2.24 3.87 5.85 -1.60 -1.53 115.31 120.49 1myj h LEU 40 Ca 0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1myj h LEU 40 Cb 0.87 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1myj h LEU 40 CO 0.07 0.40 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.21 1myj h GLU 41 N 0.73 0.00 0.00 1.25 4.39 -1.71 -1.65 114.58 117.59 1myj h GLU 41 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1myj h GLU 41 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1myj h GLU 41 CO -0.14 0.03 0.00 1.63 -1.16 0.00 0.00 179.01 179.37 1myj n LYS 42 N -4.01 0.22 -3.84 2.33 4.76 -0.58 -4.67 118.16 112.37 1myj n LYS 42 Ca -0.03 0.37 -0.36 0.00 -2.87 0.00 0.00 58.31 55.42 1myj n LYS 42 Cb 0.11 -1.86 -0.13 0.00 -1.84 0.00 0.00 35.03 31.31 1myj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1myj s PHE 43 N -3.26 3.16 0.24 2.13 0.40 -0.62 -4.99 117.98 115.03 1myj s PHE 43 Ca 0.06 -1.36 -0.02 0.00 -0.60 0.00 0.00 56.93 55.01 1myj s PHE 43 Cb 0.10 -2.18 0.27 0.00 0.51 0.00 0.00 43.02 41.73 1myj s PHE 43 CO 0.45 -0.68 1.68 -0.44 0.70 0.00 0.00 175.22 176.93 1myj h ASP 44 N 8.13 0.71 -0.03 1.36 3.32 -1.83 0.23 116.42 128.31 1myj h ASP 44 Ca -0.29 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1myj h ASP 44 Cb 1.10 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1myj h ASP 44 CO 0.58 0.89 0.00 2.29 -1.72 0.00 0.00 179.24 181.28 1myj n LYS 45 N -4.14 1.42 0.00 3.56 2.85 -1.26 -3.78 118.16 116.81 1myj n LYS 45 Ca 0.01 -0.62 0.01 0.00 -1.05 0.00 0.00 58.31 56.66 1myj n LYS 45 Cb 0.39 -1.46 -0.01 0.00 -0.65 0.00 0.00 35.03 33.30 1myj n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1myj n PHE 46 N -0.23 0.00 0.19 5.58 3.72 -0.68 -4.75 117.46 121.29 1myj n PHE 46 Ca 0.20 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.77 1myj n PHE 46 Cb 0.26 0.00 0.80 0.00 -0.94 0.00 0.00 39.48 39.60 1myj n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1myj h LYS 47 N 0.12 0.00 -0.16 -1.08 3.64 -0.68 0.63 116.57 119.03 1myj h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1myj h LYS 47 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1myj h LYS 47 CO 0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1myj n HIS 48 N -3.89 0.20 -2.40 1.91 8.25 -1.26 -4.89 115.22 113.13 1myj n HIS 48 Ca 0.02 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 1myj n HIS 48 Cb 0.34 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 1myj n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1myj s LEU 49 N -1.67 4.37 0.00 2.41 1.43 0.21 -4.92 118.68 120.52 1myj s LEU 49 Ca 0.34 2.03 0.13 0.00 -1.03 0.00 0.00 54.13 55.60 1myj s LEU 49 Cb 0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1myj s LEU 49 CO 0.29 -0.49 0.70 0.29 0.23 0.00 0.00 176.35 177.37 1myj n LYS 50 N 3.97 2.08 -3.89 1.70 5.02 -1.26 -5.00 118.16 120.78 1myj n LYS 50 Ca 0.09 -0.58 -0.09 0.00 -2.02 0.00 0.00 58.31 55.71 1myj n LYS 50 Cb 0.46 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 1myj n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1myj s SER 51 N -1.70 -0.11 0.38 4.39 1.04 -1.26 -5.04 113.70 111.40 1myj s SER 51 Ca 0.10 -0.74 0.16 0.00 0.48 0.00 0.00 55.95 55.94 1myj s SER 51 Cb 0.10 0.54 0.77 0.00 0.10 0.00 0.00 66.02 67.53 1myj s SER 51 CO 0.35 -1.03 1.81 -0.08 0.98 0.00 0.00 173.24 175.27 1myj h GLU 52 N 2.32 0.00 -0.43 4.02 4.81 -1.98 -1.48 114.58 121.85 1myj h GLU 52 Ca -0.29 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1myj h GLU 52 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1myj h GLU 52 CO 0.40 0.37 0.17 0.22 -0.73 0.00 0.00 179.01 179.44 1myj h ASP 53 N 0.00 0.59 -0.18 1.04 3.58 -1.99 0.48 116.42 119.95 1myj h ASP 53 Ca -0.00 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.24 1myj h ASP 53 Cb 0.72 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1myj h ASP 53 CO 0.05 0.60 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.65 1myj h GLU 54 N 0.55 0.33 -0.98 0.28 5.08 -1.90 -1.91 114.58 116.03 1myj h GLU 54 Ca 0.14 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1myj h GLU 54 Cb 0.19 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1myj h GLU 54 CO -0.01 0.59 0.64 0.52 -1.00 0.00 0.00 179.01 179.75 1myj h MET 55 N 0.05 1.16 -0.23 2.33 2.86 -0.86 -2.55 114.93 117.69 1myj h MET 55 Ca 0.05 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1myj h MET 55 Cb 0.46 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1myj h MET 55 CO 0.02 0.77 -0.40 0.87 1.06 0.00 0.00 176.91 179.22 1myj h LYS 56 N 1.19 0.52 0.00 1.72 1.79 0.18 -2.90 116.57 119.08 1myj h LYS 56 Ca 0.41 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1myj h LYS 56 Cb 0.09 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1myj h LYS 56 CO -0.15 0.84 -0.00 0.00 -1.08 0.00 0.00 179.45 179.06 1myj h ALA 57 N 1.13 1.00 -2.14 3.86 0.00 -1.08 -3.46 119.26 118.57 1myj h ALA 57 Ca 0.04 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.39 1myj h ALA 57 Cb 0.89 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1myj h ALA 57 CO 0.08 0.00 1.13 0.45 0.00 0.00 0.00 179.25 180.91 1myj s SER 58 N -5.89 6.47 0.12 0.00 0.15 -0.99 -4.91 113.70 108.65 1myj s SER 58 Ca 0.03 1.93 -0.16 0.00 0.70 0.00 0.00 55.95 58.46 1myj s SER 58 Cb 0.07 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1myj s SER 58 CO 0.59 -1.13 1.58 -0.33 1.20 0.00 0.00 173.24 175.15 1myj h GLU 59 N 10.38 0.62 -0.36 5.44 5.08 -1.89 -2.92 114.58 130.92 1myj h GLU 59 Ca -0.37 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 1myj h GLU 59 Cb 1.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1myj h GLU 59 CO 0.98 0.70 -0.02 -0.44 -1.00 0.00 0.00 179.01 179.22 1myj h ASP 60 N 0.45 0.54 -0.07 1.42 3.32 -1.97 -1.81 116.42 118.30 1myj h ASP 60 Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1myj h ASP 60 Cb 0.40 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1myj h ASP 60 CO 0.01 0.63 0.03 0.25 -1.72 0.00 0.00 179.24 178.44 1myj h LEU 61 N 0.54 0.09 -0.87 1.55 5.85 -1.86 -1.21 115.31 119.41 1myj h LEU 61 Ca 0.11 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1myj h LEU 61 Cb 0.38 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1myj h LEU 61 CO 0.02 0.22 0.54 0.50 -0.34 0.00 0.00 178.44 179.37 1myj h LYS 62 N -0.05 0.94 0.57 1.25 3.64 -1.33 -0.15 116.57 121.44 1myj h LYS 62 Ca 0.02 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1myj h LYS 62 Cb 0.16 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1myj h LYS 62 CO -0.00 0.62 -0.29 0.87 -2.27 0.00 0.00 179.45 178.39 1myj h LYS 63 N 0.97 -0.76 -0.53 1.90 6.56 -1.18 -1.73 116.57 121.80 1myj h LYS 63 Ca 0.38 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1myj h LYS 63 Cb 0.19 0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.00 1myj h LYS 63 CO -0.18 -0.50 0.34 1.25 -2.06 0.00 0.00 179.45 178.30 1myj h HIS 64 N -0.78 0.68 -0.48 -1.35 2.76 -0.96 -0.16 115.15 114.86 1myj h HIS 64 Ca -0.08 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 1myj h HIS 64 Cb 0.61 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1myj h HIS 64 CO -0.04 0.44 0.11 0.78 -1.30 0.00 0.00 177.93 177.91 1myj h GLY 65 N 0.74 0.83 1.00 5.26 0.00 -0.91 -0.59 103.07 109.40 1myj h GLY 65 Ca 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1myj h GLY 65 CO -0.04 0.49 0.24 -0.57 0.00 0.00 0.00 176.54 176.66 1myj h ASN 66 N 0.65 0.42 -0.69 0.19 -0.73 -0.76 -1.40 115.58 113.26 1myj h ASN 66 Ca 0.15 -0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.34 1myj h ASN 66 Cb 0.34 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 38.78 1myj h ASN 66 CO 0.00 0.31 0.42 0.74 -0.37 0.00 0.00 177.43 178.54 1myj h THR 67 N 0.49 1.07 -0.00 -3.57 2.02 -0.66 0.31 112.91 112.57 1myj h THR 67 Ca 0.13 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1myj h THR 67 Cb -0.05 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1myj h THR 67 CO -0.03 0.15 0.00 0.74 0.37 0.00 0.00 175.52 176.75 1myj h THR 68 N 0.82 1.18 -0.10 3.16 2.02 -0.81 -2.64 112.91 116.55 1myj h THR 68 Ca 0.28 -0.54 -0.16 0.00 0.77 0.00 0.00 66.41 66.76 1myj h THR 68 Cb 0.06 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1myj h THR 68 CO -0.12 0.14 -0.62 -0.07 0.37 0.00 0.00 175.52 175.22 1myj h LEU 69 N -0.23 0.39 -0.65 2.58 3.38 -1.10 -1.34 115.31 118.35 1myj h LEU 69 Ca 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1myj h LEU 69 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1myj h LEU 69 CO 0.00 0.91 0.41 0.74 0.09 0.00 0.00 178.44 180.59 1myj h THR 70 N 0.25 1.10 -0.61 0.22 2.02 -0.38 0.12 112.91 115.63 1myj h THR 70 Ca -0.01 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1myj h THR 70 Cb 1.14 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1myj h THR 70 CO 0.10 0.15 -0.00 0.00 0.37 0.00 0.00 175.52 176.14 1myj h ALA 71 N 1.27 0.83 -0.32 6.16 0.00 -1.17 -2.67 119.26 123.36 1myj h ALA 71 Ca 0.26 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1myj h ALA 71 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1myj h ALA 71 CO -0.09 0.67 -0.37 1.25 0.00 0.00 0.00 179.25 180.72 1myj h LEU 72 N 0.99 0.77 -1.40 0.00 5.85 -0.74 -2.79 115.31 117.99 1myj h LEU 72 Ca 0.17 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1myj h LEU 72 Cb 0.57 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1myj h LEU 72 CO 0.03 1.06 0.06 1.23 -0.34 0.00 0.00 178.44 180.48 1myj h GLY 73 N 0.95 0.49 1.60 3.75 0.00 -0.60 -1.11 103.07 108.15 1myj h GLY 73 Ca 0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1myj h GLY 73 CO 0.08 0.24 -0.09 -1.33 0.00 0.00 0.00 176.54 175.43 1myj h GLY 74 N 0.70 0.53 0.58 4.60 0.00 -1.21 0.22 103.07 108.48 1myj h GLY 74 Ca 0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1myj h GLY 74 CO -0.00 0.32 -0.30 -2.22 0.00 0.00 0.00 176.54 174.34 1myj h ILE 75 N 0.46 1.48 -0.72 2.60 2.04 -1.24 -3.27 117.51 118.86 1myj h ILE 75 Ca 0.09 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 1myj h ILE 75 Cb 0.44 2.54 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 1myj h ILE 75 CO 0.02 0.51 0.28 -0.07 0.00 0.00 0.00 178.15 178.90 1myj h LEU 76 N -0.32 0.98 -2.52 1.44 3.38 -0.94 -2.33 115.31 115.00 1myj h LEU 76 Ca -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1myj h LEU 76 Cb 1.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1myj h LEU 76 CO 0.06 0.87 -0.00 0.11 0.09 0.00 0.00 178.44 179.57 1myj h LYS 77 N 1.04 0.00 -0.43 1.13 1.57 -1.01 -2.08 116.57 116.80 1myj h LYS 77 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1myj h LYS 77 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1myj h LYS 77 CO -0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.49 1myj n LYS 78 N -3.11 1.99 -4.29 3.15 4.76 -0.88 -4.98 118.16 114.80 1myj n LYS 78 Ca -0.02 -1.34 -0.33 0.00 -2.87 0.00 0.00 58.31 53.74 1myj n LYS 78 Cb 0.14 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 31.89 1myj n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myj n LYS 79 N 0.53 -1.62 0.00 1.97 5.02 -0.78 -0.63 118.16 122.65 1myj n LYS 79 Ca 0.12 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1myj n LYS 79 Cb 0.36 -4.22 0.00 0.00 -0.02 0.00 0.00 35.03 31.15 1myj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myj n GLY 80 N -1.97 1.41 2.75 0.72 0.00 -1.26 -4.62 105.19 102.22 1myj n GLY 80 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1myj n GLY 80 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1myj n HIS 81 N -2.00 3.70 0.02 1.61 1.44 0.20 -4.78 115.22 115.42 1myj n HIS 81 Ca 0.00 -3.51 0.05 0.00 -2.01 0.00 0.00 57.72 52.24 1myj n HIS 81 Cb 0.00 -0.40 0.10 0.00 0.12 0.00 0.00 29.99 29.81 1myj n HIS 81 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1myj n HIS 82 N -0.34 0.27 -0.19 -1.40 1.44 -1.26 -4.75 115.22 109.00 1myj n HIS 82 Ca 0.36 -0.34 -0.12 0.00 -2.01 0.00 0.00 57.72 55.60 1myj n HIS 82 Cb 0.48 -0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.48 1myj n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1myj h GLU 83 N 1.78 -0.30 -0.97 -1.40 3.07 -1.95 -0.77 114.58 114.04 1myj h GLU 83 Ca 0.00 0.02 0.19 0.00 -0.50 0.00 0.00 59.36 59.07 1myj h GLU 83 Cb 0.60 0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.49 1myj h GLU 83 CO 0.00 -0.20 0.61 0.00 -1.40 0.00 0.00 179.01 178.02 1myj h ALA 84 N 0.16 1.89 0.00 3.43 0.00 -2.02 -0.95 119.26 121.78 1myj h ALA 84 Ca 0.11 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1myj h ALA 84 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1myj h ALA 84 CO -0.66 -0.22 -1.04 1.05 0.00 0.00 0.00 179.25 178.38 1myj h GLU 85 N 0.63 0.00 -0.14 0.00 9.09 -1.56 -3.34 114.58 119.26 1myj h GLU 85 Ca 0.53 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.75 1myj h GLU 85 Cb 0.99 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.09 1myj h GLU 85 CO -0.29 0.39 -0.69 1.25 0.05 0.00 0.00 179.01 179.72 1myj h LEU 86 N 0.00 0.68 -0.14 3.06 7.12 -0.30 -3.37 115.31 122.36 1myj h LEU 86 Ca -0.09 -0.42 0.02 0.00 0.13 0.00 0.00 57.88 57.52 1myj h LEU 86 Cb 1.50 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 41.40 1myj h LEU 86 CO 0.06 1.17 -0.30 0.74 -0.13 0.00 0.00 178.44 179.98 1myj h THR 87 N 0.41 0.00 -0.99 1.05 2.02 -1.33 0.35 112.91 114.42 1myj h THR 87 Ca -0.03 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.40 1myj h THR 87 Cb 1.28 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 1myj h THR 87 CO 0.13 0.00 0.65 -0.65 0.37 0.00 0.00 175.52 176.02 1myj h PRO 88 N -0.28 0.39 -0.08 6.66 0.11 -1.79 0.54 132.00 137.56 1myj h PRO 88 Ca 0.03 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1myj h PRO 88 Cb 0.35 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1myj h PRO 88 CO -0.28 0.26 -0.13 1.25 -0.21 0.00 0.00 178.00 178.89 1myj h LEU 89 N 0.40 0.24 -0.60 2.35 5.85 -1.27 -0.19 115.31 122.09 1myj h LEU 89 Ca 0.54 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1myj h LEU 89 Cb 1.38 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1myj h LEU 89 CO -0.24 0.74 0.39 0.00 -0.34 0.00 0.00 178.44 178.99 1myj h ALA 90 N 0.51 0.77 0.55 1.25 0.00 -0.27 -0.81 119.26 121.26 1myj h ALA 90 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1myj h ALA 90 Cb 0.69 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1myj h ALA 90 CO 0.03 0.16 -0.50 1.96 0.00 0.00 0.00 179.25 180.90 1myj h GLN 91 N 0.78 -1.00 0.00 0.00 4.20 -0.91 0.42 115.11 118.60 1myj h GLN 91 Ca 0.23 0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 1myj h GLN 91 Cb -0.04 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1myj h GLN 91 CO -0.07 -0.67 -0.37 0.66 -0.67 0.00 0.00 178.83 177.71 1myj h SER 92 N -1.04 0.00 0.27 1.46 4.64 -0.90 -2.48 113.55 115.51 1myj h SER 92 Ca -0.07 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.95 1myj h SER 92 Cb 0.89 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.01 1myj h SER 92 CO -0.03 0.37 -1.30 0.45 -0.87 0.00 0.00 176.83 175.44 1myj h HIS 93 N 0.00 0.89 -0.06 4.77 3.86 -0.91 0.80 115.15 124.51 1myj h HIS 93 Ca -0.00 -0.60 -0.06 0.00 -1.16 0.00 0.00 60.37 58.55 1myj h HIS 93 Cb 0.71 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1myj h HIS 93 CO 0.00 1.45 -0.19 0.00 0.86 0.00 0.00 177.93 180.05 1myj h ALA 94 N 0.33 0.10 0.03 2.45 0.00 -0.93 0.36 119.26 121.60 1myj h ALA 94 Ca -0.19 -0.39 -0.34 0.00 0.00 0.00 0.00 54.91 53.99 1myj h ALA 94 Cb 1.99 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 1myj h ALA 94 CO 0.24 0.06 -2.01 0.25 0.00 0.00 0.00 179.25 177.79 1myj n THR 95 N -4.56 1.60 -0.08 0.00 -2.24 -0.94 -3.71 114.28 104.36 1myj n THR 95 Ca -0.08 -0.75 -0.10 0.00 -2.27 0.00 0.00 64.05 60.85 1myj n THR 95 Cb 0.42 -1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 67.42 1myj n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1myj n LYS 96 N -3.13 0.74 -0.00 -0.78 4.81 -0.55 -4.67 118.16 114.58 1myj n LYS 96 Ca -0.27 0.07 0.03 0.00 -0.87 0.00 0.00 58.31 57.27 1myj n LYS 96 Cb 1.07 -1.32 -0.12 0.00 0.02 0.00 0.00 35.03 34.67 1myj n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1myj n HIS 97 N -2.86 0.41 -3.13 5.64 -0.00 0.17 -5.00 115.22 110.44 1myj n HIS 97 Ca -0.27 0.13 -0.11 0.00 -0.00 0.00 0.00 57.72 57.48 1myj n HIS 97 Cb 0.83 -0.84 0.05 0.00 -0.00 0.00 0.00 29.99 30.03 1myj n HIS 97 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1myj n LYS 98 N -2.60 -1.93 -3.57 -0.41 4.81 0.12 -4.99 118.16 109.59 1myj n LYS 98 Ca -0.11 1.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.92 1myj n LYS 98 Cb 0.77 -5.65 -0.10 0.00 0.02 0.00 0.00 35.03 30.07 1myj n LYS 98 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1myj s ILE 99 N -3.28 4.45 0.49 3.15 -1.09 -0.72 -5.02 121.20 119.19 1myj s ILE 99 Ca 0.33 -1.23 -0.23 0.00 -2.23 0.00 0.00 60.65 57.29 1myj s ILE 99 Cb -0.04 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 1myj s ILE 99 CO 0.71 -0.46 1.17 -0.81 -1.23 0.00 0.00 174.94 174.33 1myj n PRO 100 N 4.98 1.54 -0.26 2.79 -0.04 -1.26 -4.68 135.00 138.07 1myj n PRO 100 Ca -0.11 0.56 0.18 0.00 -0.04 0.00 0.00 63.50 64.09 1myj n PRO 100 Cb 0.44 -2.32 0.48 0.00 -0.04 0.00 0.00 33.50 32.06 1myj n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1myj h VAL 101 N 1.48 0.70 -0.70 0.52 2.07 -1.98 -0.38 116.25 117.96 1myj h VAL 101 Ca -0.48 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1myj h VAL 101 Cb 1.32 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1myj h VAL 101 CO 0.57 0.09 0.30 0.50 0.02 0.00 0.00 177.57 179.05 1myj h LYS 102 N 0.48 0.48 0.00 1.57 3.64 -2.00 0.40 116.57 121.14 1myj h LYS 102 Ca 0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1myj h LYS 102 Cb 1.09 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1myj h LYS 102 CO -0.20 0.32 0.00 1.88 -2.27 0.00 0.00 179.45 179.17 1myj h TYR 103 N 0.49 0.00 0.00 1.91 -1.99 -1.42 -1.07 116.97 114.90 1myj h TYR 103 Ca 0.36 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.07 1myj h TYR 103 Cb 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.19 1myj h TYR 103 CO -0.14 0.00 -0.12 -0.07 -0.00 0.00 0.00 178.16 177.82 1myj h LEU 104 N 0.00 0.00 0.14 3.88 3.38 -0.23 -2.29 115.31 120.18 1myj h LEU 104 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1myj h LEU 104 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1myj h LEU 104 CO 0.00 0.12 -1.27 -0.08 0.09 0.00 0.00 178.44 177.30 1myj h GLU 105 N 0.00 0.29 -0.59 1.13 4.81 -0.69 -2.62 114.58 116.91 1myj h GLU 105 Ca -0.00 -0.50 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 1myj h GLU 105 Cb 0.88 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1myj h GLU 105 CO 0.02 1.23 0.12 0.74 -0.73 0.00 0.00 179.01 180.39 1myj h PHE 106 N 0.08 1.02 -0.09 0.92 0.04 -1.08 -2.13 116.94 115.70 1myj h PHE 106 Ca -0.15 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.38 1myj h PHE 106 Cb 1.99 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 1myj h PHE 106 CO 0.07 0.87 -0.41 0.97 -0.60 0.00 0.00 178.31 179.21 1myj h ILE 107 N 0.87 1.31 -0.49 -0.55 2.10 -1.46 -2.01 117.51 117.27 1myj h ILE 107 Ca 0.18 -1.51 -0.05 0.00 1.08 0.00 0.00 64.86 64.56 1myj h ILE 107 Cb 0.39 1.70 -0.02 0.00 -1.09 0.00 0.00 36.82 37.80 1myj h ILE 107 CO 0.01 0.45 0.11 0.28 -1.08 0.00 0.00 178.15 177.91 1myj h SER 108 N 0.17 0.75 -0.29 2.19 0.02 -1.29 0.35 113.55 115.46 1myj h SER 108 Ca 0.02 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1myj h SER 108 Cb 0.80 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1myj h SER 108 CO 0.06 0.80 0.14 -0.33 -1.14 0.00 0.00 176.83 176.35 1myj h GLU 109 N 0.67 0.42 -0.87 3.45 5.08 -1.25 -1.16 114.58 120.92 1myj h GLU 109 Ca 0.15 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1myj h GLU 109 Cb 0.35 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1myj h GLU 109 CO 0.00 0.41 0.57 0.00 -1.00 0.00 0.00 179.01 178.99 1myj h ALA 110 N 0.99 1.10 -0.13 3.43 0.00 -0.82 0.36 119.26 124.19 1myj h ALA 110 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1myj h ALA 110 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1myj h ALA 110 CO -0.01 0.52 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 1myj h ILE 111 N 1.18 0.91 -0.61 0.00 2.04 0.24 -1.48 117.51 119.80 1myj h ILE 111 Ca 0.32 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.17 1myj h ILE 111 Cb -0.12 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1myj h ILE 111 CO -0.07 0.01 0.40 0.40 0.00 0.00 0.00 178.15 178.89 1myj h ILE 112 N 0.03 1.15 -0.64 -0.67 2.04 -0.93 -1.44 117.51 117.05 1myj h ILE 112 Ca 0.06 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1myj h ILE 112 Cb 0.07 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1myj h ILE 112 CO -0.10 0.15 0.33 1.56 0.00 0.00 0.00 178.15 180.08 1myj h GLN 113 N 0.82 0.89 -0.39 2.37 4.20 -0.67 -1.08 115.11 121.24 1myj h GLN 113 Ca 0.22 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 1myj h GLN 113 Cb -0.09 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1myj h GLN 113 CO -0.05 0.67 -0.30 0.28 -0.67 0.00 0.00 178.83 178.75 1myj h VAL 114 N 0.89 1.28 -0.80 -0.54 2.07 -0.97 -1.45 116.25 116.74 1myj h VAL 114 Ca 0.22 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1myj h VAL 114 Cb 0.05 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1myj h VAL 114 CO -0.03 0.49 0.39 -0.07 0.02 0.00 0.00 177.57 178.36 1myj h LEU 115 N 0.71 1.04 -0.40 2.57 3.38 -1.04 0.47 115.31 122.03 1myj h LEU 115 Ca 0.07 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1myj h LEU 115 Cb 0.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1myj h LEU 115 CO 0.08 0.87 0.03 -0.61 0.09 0.00 0.00 178.44 178.90 1myj h GLN 116 N 1.14 0.69 -0.16 1.13 5.75 -1.10 0.41 115.11 122.97 1myj h GLN 116 Ca 0.28 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1myj h GLN 116 Cb 0.11 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1myj h GLN 116 CO -0.04 0.76 -0.12 0.77 -2.65 0.00 0.00 178.83 177.56 1myj h SER 117 N 0.52 0.37 1.41 -0.69 0.02 -0.80 -3.14 113.55 111.24 1myj h SER 117 Ca 0.12 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1myj h SER 117 Cb 0.43 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1myj h SER 117 CO 0.01 0.75 -0.60 0.11 -1.14 0.00 0.00 176.83 175.96 1myj h LYS 118 N 0.00 0.00 -1.75 3.45 1.57 -0.03 -3.40 116.57 116.40 1myj h LYS 118 Ca 0.03 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.33 1myj h LYS 118 Cb 0.63 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.53 1myj h LYS 118 CO 0.03 0.19 -1.05 0.72 -0.57 0.00 0.00 179.45 178.77 1myj n HIS 119 N -3.01 1.44 -0.26 -1.35 8.25 0.14 -4.94 115.22 115.49 1myj n HIS 119 Ca 0.00 -3.53 0.07 0.00 -0.26 0.00 0.00 57.72 54.00 1myj n HIS 119 Cb 0.65 -0.39 0.20 0.00 1.12 0.00 0.00 29.99 31.57 1myj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myj h PRO 120 N 2.96 0.37 0.27 -0.41 0.13 -1.70 0.21 132.00 133.83 1myj h PRO 120 Ca 0.07 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1myj h PRO 120 Cb 0.93 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 1myj h PRO 120 CO 0.59 0.24 -0.42 0.78 -0.23 0.00 0.00 178.00 178.97 1myj h GLY 121 N 0.38 -1.17 2.00 1.56 0.00 -1.92 -2.99 103.07 100.94 1myj h GLY 121 Ca 0.44 0.57 0.00 0.00 0.00 0.00 0.00 47.33 48.34 1myj h GLY 121 CO -0.46 -0.33 0.00 -0.55 0.00 0.00 0.00 176.54 175.20 1myj h ASP 122 N -0.72 0.00 -2.89 0.19 3.32 -1.88 -3.38 116.42 111.06 1myj h ASP 122 Ca -0.03 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.36 1myj h ASP 122 Cb 0.66 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.83 1myj h ASP 122 CO -0.13 0.00 -0.30 0.33 -1.72 0.00 0.00 179.24 177.42 1myj n PHE 123 N -2.80 3.60 -1.54 4.55 7.35 0.71 -4.86 117.46 124.48 1myj n PHE 123 Ca 0.03 -4.06 0.00 0.00 -0.76 0.00 0.00 57.45 52.66 1myj n PHE 123 Cb 0.39 -0.83 0.00 0.00 0.35 0.00 0.00 39.48 39.39 1myj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myj n GLY 124 N 1.69 -0.07 0.32 7.13 0.00 -1.26 -4.69 105.19 108.31 1myj n GLY 124 Ca 0.24 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.50 1myj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myj h ALA 125 N -1.23 1.31 0.01 4.61 0.00 -1.96 -1.08 119.26 120.93 1myj h ALA 125 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1myj h ALA 125 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1myj h ALA 125 CO 0.00 0.09 -0.87 -0.44 0.00 0.00 0.00 179.25 178.03 1myj h ASP 126 N 0.81 0.74 -0.68 0.00 3.32 -1.98 -1.74 116.42 116.89 1myj h ASP 126 Ca 0.45 -0.76 0.02 0.00 0.02 0.00 0.00 57.03 56.75 1myj h ASP 126 Cb 0.48 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1myj h ASP 126 CO -0.28 1.41 0.44 0.00 -1.72 0.00 0.00 179.24 179.08 1myj h ALA 127 N 0.35 0.87 -0.36 3.45 0.00 -1.84 -1.71 119.26 120.02 1myj h ALA 127 Ca -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1myj h ALA 127 Cb 1.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1myj h ALA 127 CO 0.17 0.25 0.15 1.96 0.00 0.00 0.00 179.25 181.78 1myj h GLN 128 N 0.88 0.54 -0.57 0.00 4.20 -1.20 0.55 115.11 119.51 1myj h GLN 128 Ca 0.26 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1myj h GLN 128 Cb -0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1myj h GLN 128 CO -0.08 0.51 0.20 0.78 -0.67 0.00 0.00 178.83 179.58 1myj h GLY 129 N 0.44 0.93 0.90 3.46 0.00 -0.99 -0.40 103.07 107.42 1myj h GLY 129 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1myj h GLY 129 CO -0.01 0.50 0.07 0.00 0.00 0.00 0.00 176.54 177.10 1myj h ALA 130 N 1.06 0.41 -0.61 3.60 0.00 -1.00 -1.56 119.26 121.17 1myj h ALA 130 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1myj h ALA 130 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1myj h ALA 130 CO -0.01 0.08 0.01 1.98 0.00 0.00 0.00 179.25 181.32 1myj h MET 131 N 0.35 1.07 -0.64 0.00 -1.53 -0.79 -1.84 114.93 111.54 1myj h MET 131 Ca 0.10 -0.33 -0.03 0.00 -3.44 0.00 0.00 59.70 56.00 1myj h MET 131 Cb 0.30 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 1myj h MET 131 CO 0.00 1.03 0.29 0.77 0.14 0.00 0.00 176.91 179.15 1myj h SER 132 N 0.97 0.83 -0.06 1.39 0.02 -1.00 -0.62 113.55 115.08 1myj h SER 132 Ca 0.17 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1myj h SER 132 Cb 0.54 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1myj h SER 132 CO 0.03 0.72 -0.28 0.11 -1.14 0.00 0.00 176.83 176.27 1myj h LYS 133 N 0.91 0.50 -0.59 3.45 1.57 -0.80 -0.79 116.57 120.83 1myj h LYS 133 Ca 0.22 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1myj h LYS 133 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1myj h LYS 133 CO -0.03 0.74 0.03 0.00 -0.57 0.00 0.00 179.45 179.62 1myj h ALA 134 N 1.26 0.79 -0.01 3.86 0.00 -1.01 -0.54 119.26 123.61 1myj h ALA 134 Ca 0.06 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1myj h ALA 134 Cb 0.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1myj h ALA 134 CO 0.05 0.60 -0.79 -0.07 0.00 0.00 0.00 179.25 179.04 1myj h LEU 135 N 0.91 0.15 -0.80 0.00 3.38 -0.94 -1.86 115.31 116.14 1myj h LEU 135 Ca 0.17 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1myj h LEU 135 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1myj h LEU 135 CO 0.02 0.88 -0.26 -0.08 0.09 0.00 0.00 178.44 179.09 1myj h GLU 136 N 0.07 0.61 -0.37 1.13 4.81 -0.89 0.23 114.58 120.17 1myj h GLU 136 Ca -0.02 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1myj h GLU 136 Cb 1.39 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1myj h GLU 136 CO 0.11 0.81 -0.25 1.25 -0.73 0.00 0.00 179.01 180.21 1myj h LEU 137 N 0.53 0.77 0.57 1.64 5.85 -0.99 -0.84 115.31 122.84 1myj h LEU 137 Ca 0.07 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1myj h LEU 137 Cb 0.72 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1myj h LEU 137 CO 0.06 0.99 -0.27 0.15 -0.34 0.00 0.00 178.44 179.02 1myj h PHE 138 N 0.65 -0.71 0.00 1.25 3.57 -0.72 0.44 116.94 121.42 1myj h PHE 138 Ca 0.09 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1myj h PHE 138 Cb 0.76 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1myj h PHE 138 CO 0.04 -0.43 -0.16 0.00 -2.23 0.00 0.00 178.31 175.54 1myj h ARG 139 N -0.80 0.00 -0.24 1.11 3.08 -0.25 -0.82 114.38 116.46 1myj h ARG 139 Ca -0.08 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1myj h ARG 139 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1myj h ARG 139 CO 0.13 0.16 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.10 1myj h ASN 140 N 0.00 0.58 0.20 7.04 -0.26 -0.91 -1.22 115.58 121.00 1myj h ASN 140 Ca -0.00 -0.44 -0.06 0.00 -0.56 0.00 0.00 56.30 55.24 1myj h ASN 140 Cb 0.31 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1myj h ASN 140 CO 0.02 0.90 -0.24 0.44 -1.06 0.00 0.00 177.43 177.49 1myj h ASP 141 N 0.26 0.07 -0.04 5.81 3.32 -0.16 -1.85 116.42 123.83 1myj h ASP 141 Ca 0.05 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 1myj h ASP 141 Cb 0.71 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1myj h ASP 141 CO 0.05 0.32 -0.68 0.24 -1.72 0.00 0.00 179.24 177.44 1myj h MET 142 N 0.07 0.67 -0.41 3.56 2.86 -0.94 -2.37 114.93 118.36 1myj h MET 142 Ca 0.01 -0.50 -0.11 0.00 -2.06 0.00 0.00 59.70 57.05 1myj h MET 142 Cb 0.47 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1myj h MET 142 CO 0.03 1.12 -0.17 0.00 1.06 0.00 0.00 176.91 178.95 1myj h ALA 143 N 0.75 0.92 0.65 6.32 0.00 -0.66 -0.69 119.26 126.56 1myj h ALA 143 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1myj h ALA 143 Cb 1.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1myj h ALA 143 CO 0.13 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.63 1myj h ALA 144 N 1.11 -0.97 -0.94 0.00 0.00 -1.40 0.17 119.26 117.23 1myj h ALA 144 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1myj h ALA 144 Cb 0.67 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1myj h ALA 144 CO 0.05 -1.05 0.61 0.87 0.00 0.00 0.00 179.25 179.73 1myj h LYS 145 N -0.95 1.15 0.02 0.00 1.79 -1.27 -2.01 116.57 115.30 1myj h LYS 145 Ca -0.08 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1myj h LYS 145 Cb 0.76 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1myj h LYS 145 CO 0.10 0.76 -0.01 1.88 -1.08 0.00 0.00 179.45 181.10 1myj h TYR 146 N 1.19 -0.03 0.00 -1.35 -1.99 -0.90 -2.38 116.97 111.51 1myj h TYR 146 Ca 0.38 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.10 1myj h TYR 146 Cb 0.01 0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 1myj h TYR 146 CO -0.01 0.07 -0.02 -0.22 -0.00 0.00 0.00 178.16 177.98 1myj h LYS 147 N -0.12 0.00 -0.29 4.88 3.64 -0.23 0.67 116.57 125.12 1myj h LYS 147 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1myj h LYS 147 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1myj h LYS 147 CO 0.01 0.02 -0.53 1.49 -2.27 0.00 0.00 179.45 178.16 1myj h GLU 148 N 0.00 0.87 -0.00 1.90 4.81 -1.14 -2.27 114.58 118.76 1myj h GLU 148 Ca -0.00 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1myj h GLU 148 Cb 0.25 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1myj h GLU 148 CO 0.00 1.19 -0.01 1.28 -0.73 0.00 0.00 179.01 180.74 1myj n LEU 149 N -4.03 0.05 -2.21 1.64 4.77 -0.92 -4.90 117.00 111.40 1myj n LEU 149 Ca -0.04 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1myj n LEU 149 Cb 0.62 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1myj n LEU 149 CO 0.50 0.01 0.04 0.61 -1.33 0.00 0.00 177.39 177.22 1myj n GLY 150 N 1.27 0.02 0.00 -0.72 0.00 -0.84 -5.05 105.19 99.87 1myj n GLY 150 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1myj n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1myj n PHE 151 N -2.47 0.00 0.00 1.61 3.01 0.23 -4.84 117.46 115.00 1myj n PHE 151 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1myj n PHE 151 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1myj n PHE 151 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1myj n GLN 152 N 0.00 0.00 0.00 -1.08 -0.06 -1.26 -3.95 117.38 111.03 1myj n GLN 152 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1myj n GLN 152 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1myj n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27