#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4mba s LEU 2 N 0.00 4.25 0.78 1.04 1.02 -0.63 -5.02 118.68 120.11 4mba s LEU 2 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 54.13 54.10 4mba s LEU 2 Cb 0.00 -2.80 0.06 0.00 0.02 0.00 0.00 46.19 43.47 4mba s LEU 2 CO 0.00 -0.01 1.10 -0.94 0.02 0.00 0.00 176.35 176.52 4mba s SER 3 N -3.62 4.70 0.31 2.29 1.04 -1.26 -4.03 113.70 113.12 4mba s SER 3 Ca 0.34 1.21 0.01 0.00 0.48 0.00 0.00 55.95 57.99 4mba s SER 3 Cb -0.10 -1.94 0.52 0.00 0.10 0.00 0.00 66.02 64.60 4mba s SER 3 CO 0.28 -1.83 1.91 0.00 0.98 0.00 0.00 173.24 174.58 4mba h ALA 4 N -0.99 1.37 0.23 5.32 0.00 -1.96 0.26 119.26 123.49 4mba h ALA 4 Ca -0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 4mba h ALA 4 Cb 1.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 4mba h ALA 4 CO 0.61 0.48 -0.11 0.00 0.00 0.00 0.00 179.25 180.23 4mba h ALA 5 N 1.47 -0.31 -0.57 0.00 0.00 -1.99 0.14 119.26 118.01 4mba h ALA 5 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 4mba h ALA 5 Cb 0.13 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 4mba h ALA 5 CO -0.02 -0.63 0.33 0.93 0.00 0.00 0.00 179.25 179.86 4mba h GLU 6 N -0.40 0.62 -0.63 0.00 5.08 -1.81 -1.13 114.58 116.32 4mba h GLU 6 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 4mba h GLU 6 Cb 0.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 4mba h GLU 6 CO 0.05 0.41 0.39 0.00 -1.00 0.00 0.00 179.01 178.86 4mba h ALA 7 N 1.27 1.50 -0.60 3.43 0.00 -0.18 -1.11 119.26 123.58 4mba h ALA 7 Ca 0.24 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 4mba h ALA 7 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 4mba h ALA 7 CO -0.12 0.44 0.03 -0.44 0.00 0.00 0.00 179.25 179.16 4mba h ASP 8 N 0.86 1.01 -0.52 0.00 3.45 0.49 -0.51 116.42 121.19 4mba h ASP 8 Ca 0.23 -0.29 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 4mba h ASP 8 Cb -0.05 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.43 4mba h ASP 8 CO -0.04 1.05 0.11 -0.07 -1.57 0.00 0.00 179.24 178.72 4mba h LEU 9 N 0.93 0.80 -1.11 1.55 4.07 -0.64 -0.68 115.31 120.24 4mba h LEU 9 Ca 0.17 -0.24 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 4mba h LEU 9 Cb 0.52 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 4mba h LEU 9 CO 0.02 0.84 -0.20 0.00 -1.08 0.00 0.00 178.44 178.02 4mba h ALA 10 N 1.00 1.26 -0.15 1.53 0.00 -0.99 -1.72 119.26 120.19 4mba h ALA 10 Ca 0.16 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 4mba h ALA 10 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 4mba h ALA 10 CO 0.00 0.49 -0.46 0.78 0.00 0.00 0.00 179.25 180.06 4mba h GLY 11 N 0.95 0.63 0.75 0.00 0.00 -0.76 -2.33 103.07 102.32 4mba h GLY 11 Ca 0.06 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.60 4mba h GLY 11 CO 0.04 0.73 0.18 0.50 0.00 0.00 0.00 176.54 177.99 4mba h LYS 12 N 0.21 0.36 0.00 4.80 1.57 -0.98 -0.99 116.57 121.54 4mba h LYS 12 Ca -0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 4mba h LYS 12 Cb 1.09 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 4mba h LYS 12 CO 0.10 0.24 -0.22 0.66 -0.57 0.00 0.00 179.45 179.65 4mba h SER 13 N 0.37 0.00 0.55 0.86 4.64 -1.27 -3.23 113.55 115.47 4mba h SER 13 Ca 0.17 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.22 4mba h SER 13 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 4mba h SER 13 CO -0.14 0.22 -1.21 -0.25 -0.87 0.00 0.00 176.83 174.58 4mba h TRP 14 N 0.00 0.56 -0.62 4.77 2.91 -0.82 -3.38 115.95 119.37 4mba h TRP 14 Ca -0.00 -0.39 0.10 0.00 1.13 0.00 0.00 58.89 59.72 4mba h TRP 14 Cb 0.70 -0.03 -0.11 0.00 -0.51 0.00 0.00 29.16 29.21 4mba h TRP 14 CO 0.00 1.29 -0.41 0.00 -1.03 0.00 0.00 178.44 178.29 4mba h ALA 15 N 0.57 -0.22 -0.85 2.65 0.00 -1.22 0.12 119.26 120.31 4mba h ALA 15 Ca -0.14 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.97 4mba h ALA 15 Cb 1.92 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 20.58 4mba h ALA 15 CO 0.20 -0.77 0.53 -1.35 0.00 0.00 0.00 179.25 177.86 4mba h PRO 16 N -0.19 0.94 0.07 0.00 0.11 -1.77 0.25 132.00 131.41 4mba h PRO 16 Ca 0.21 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 4mba h PRO 16 Cb 0.56 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.46 4mba h PRO 16 CO -0.72 0.62 -0.03 0.28 -0.21 0.00 0.00 178.00 177.94 4mba h VAL 17 N 0.97 1.10 0.00 3.15 2.07 -1.37 -2.77 116.25 119.39 4mba h VAL 17 Ca 0.37 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 4mba h VAL 17 Cb 0.17 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 4mba h VAL 17 CO -0.17 0.14 -0.08 0.15 0.02 0.00 0.00 177.57 177.63 4mba h PHE 18 N -0.35 0.00 -0.98 1.57 3.57 -0.59 -3.03 116.94 117.12 4mba h PHE 18 Ca -0.01 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.75 4mba h PHE 18 Cb 0.30 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.91 4mba h PHE 18 CO 0.01 0.08 0.55 0.00 -2.23 0.00 0.00 178.31 176.73 4mba h ALA 19 N 1.92 1.76 -2.17 2.41 0.00 -0.64 -2.23 119.26 120.31 4mba h ALA 19 Ca -0.00 0.15 -0.62 0.00 0.00 0.00 0.00 54.91 54.44 4mba h ALA 19 Cb 0.31 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.76 4mba h ALA 19 CO 0.01 -0.34 -0.49 0.09 0.00 0.00 0.00 179.25 178.52 4mba n ASN 20 N -4.95 4.04 0.06 0.00 5.03 -1.14 -4.96 115.26 113.34 4mba n ASN 20 Ca 0.27 -3.47 -0.11 0.00 0.87 0.00 0.00 54.58 52.14 4mba n ASN 20 Cb 0.78 -0.71 -0.05 0.00 -1.02 0.00 0.00 39.78 38.79 4mba n ASN 20 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 4mba h LYS 21 N 4.17 -0.32 0.77 3.52 3.64 -1.52 -0.81 116.57 126.04 4mba h LYS 21 Ca 0.20 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 4mba h LYS 21 Cb 0.64 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 4mba h LYS 21 CO 0.88 -0.21 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.49 4mba h ASN 22 N -0.33 -1.11 -0.82 4.20 -0.26 -1.92 0.23 115.58 115.56 4mba h ASN 22 Ca 0.05 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 4mba h ASN 22 Cb 0.40 0.31 -0.04 0.00 -1.06 0.00 0.00 38.32 37.94 4mba h ASN 22 CO -0.18 -0.70 0.47 0.00 -1.06 0.00 0.00 177.43 175.96 4mba h ALA 23 N -1.30 1.05 -0.09 -0.83 0.00 -1.97 -2.58 119.26 113.55 4mba h ALA 23 Ca -0.10 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 4mba h ALA 23 Cb 0.90 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 4mba h ALA 23 CO 0.12 0.54 -0.67 -0.91 0.00 0.00 0.00 179.25 178.34 4mba h ASN 24 N 1.14 0.44 -0.59 0.00 -0.26 -1.12 -2.66 115.58 112.53 4mba h ASN 24 Ca 0.29 -0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 4mba h ASN 24 Cb 0.00 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 4mba h ASN 24 CO -0.05 0.99 0.17 1.23 -1.06 0.00 0.00 177.43 178.71 4mba h GLY 25 N 1.31 1.03 0.99 2.83 0.00 -0.40 -1.65 103.07 107.18 4mba h GLY 25 Ca -0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 4mba h GLY 25 CO 0.11 0.56 -0.23 1.41 0.00 0.00 0.00 176.54 178.40 4mba h LEU 26 N 0.92 0.79 -0.94 3.11 4.07 -1.39 -2.96 115.31 118.91 4mba h LEU 26 Ca 0.20 -0.43 -0.06 0.00 0.08 0.00 0.00 57.88 57.67 4mba h LEU 26 Cb 0.30 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 4mba h LEU 26 CO -0.00 1.05 0.08 0.44 -1.08 0.00 0.00 178.44 178.93 4mba h ASP 27 N 0.53 0.81 -0.09 -0.43 3.45 -1.31 -1.77 116.42 117.61 4mba h ASP 27 Ca 0.07 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 4mba h ASP 27 Cb 0.79 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 4mba h ASP 27 CO 0.06 0.83 0.01 0.15 -1.57 0.00 0.00 179.24 178.72 4mba h PHE 28 N 0.81 0.16 -0.71 4.55 3.57 -1.28 0.09 116.94 124.14 4mba h PHE 28 Ca 0.17 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.66 4mba h PHE 28 Cb 0.37 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 4mba h PHE 28 CO 0.02 0.38 0.46 1.25 -2.23 0.00 0.00 178.31 178.19 4mba h LEU 29 N -0.10 0.78 -0.40 0.59 5.85 -1.32 -1.85 115.31 118.85 4mba h LEU 29 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 4mba h LEU 29 Cb 0.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 4mba h LEU 29 CO 0.00 0.55 0.08 0.58 -0.34 0.00 0.00 178.44 179.31 4mba h VAL 30 N 0.92 1.24 -0.29 1.05 2.07 -1.26 -2.46 116.25 117.52 4mba h VAL 30 Ca 0.27 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 4mba h VAL 30 Cb -0.05 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 4mba h VAL 30 CO -0.08 0.29 0.09 0.00 0.02 0.00 0.00 177.57 177.89 4mba h ALA 31 N 0.94 1.63 0.02 1.67 0.00 -0.65 -1.49 119.26 121.38 4mba h ALA 31 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 4mba h ALA 31 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 4mba h ALA 31 CO 0.00 0.29 -0.01 1.25 0.00 0.00 0.00 179.25 180.78 4mba h LEU 32 N 0.40 -0.02 -1.75 0.00 5.85 -1.10 -1.54 115.31 117.15 4mba h LEU 32 Ca 0.10 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 4mba h LEU 32 Cb 0.12 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 4mba h LEU 32 CO -0.01 0.32 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.06 4mba h PHE 33 N -0.37 0.04 0.07 1.25 0.04 -1.17 0.47 116.94 117.27 4mba h PHE 33 Ca -0.00 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 4mba h PHE 33 Cb 0.36 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.49 4mba h PHE 33 CO 0.04 0.14 -0.04 0.93 -0.60 0.00 0.00 178.31 178.78 4mba h GLU 34 N 0.04 -0.10 -0.11 1.51 5.08 -1.15 -2.94 114.58 116.92 4mba h GLU 34 Ca 0.01 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 4mba h GLU 34 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 4mba h GLU 34 CO 0.01 0.44 -0.49 0.87 -1.00 0.00 0.00 179.01 178.84 4mba h LYS 35 N -0.72 0.27 -2.16 2.33 6.56 -1.00 -3.37 116.57 118.48 4mba h LYS 35 Ca -0.01 -0.15 -0.58 0.00 -1.06 0.00 0.00 60.65 58.85 4mba h LYS 35 Cb 0.58 0.01 -0.40 0.00 -0.57 0.00 0.00 32.23 31.85 4mba h LYS 35 CO 0.02 0.71 -0.95 1.19 -2.06 0.00 0.00 179.45 178.36 4mba n PHE 36 N -3.96 0.58 -0.34 -1.35 3.72 0.16 -4.99 117.46 111.28 4mba n PHE 36 Ca -0.02 -3.68 0.22 0.00 -0.05 0.00 0.00 57.45 53.92 4mba n PHE 36 Cb 0.54 -0.31 0.45 0.00 -0.94 0.00 0.00 39.48 39.22 4mba n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 4mba h PRO 37 N 4.39 0.40 -0.83 -1.08 0.11 -1.69 -0.38 132.00 132.92 4mba h PRO 37 Ca 0.13 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.42 4mba h PRO 37 Cb 0.83 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.80 4mba h PRO 37 CO 0.54 0.27 0.57 0.38 -0.21 0.00 0.00 178.00 179.54 4mba h ASP 38 N 0.41 0.27 0.16 -2.05 2.03 -1.94 -2.14 116.42 113.17 4mba h ASP 38 Ca 0.70 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 57.03 4mba h ASP 38 Cb 1.53 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.00 4mba h ASP 38 CO -0.55 0.11 0.00 0.77 -1.03 0.00 0.00 179.24 178.54 4mba h SER 39 N 0.27 0.00 1.59 4.15 4.64 -1.41 -2.33 113.55 120.47 4mba h SER 39 Ca 0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 4mba h SER 39 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 4mba h SER 39 CO -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.84 4mba h ALA 40 N 2.04 1.00 -0.32 5.18 0.00 -1.57 -3.12 119.26 122.46 4mba h ALA 40 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 4mba h ALA 40 Cb 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 4mba h ALA 40 CO 0.00 0.01 0.22 -0.91 0.00 0.00 0.00 179.25 178.57 4mba h ASN 41 N 0.00 0.36 0.29 0.00 2.35 -1.62 -2.02 115.58 114.94 4mba h ASN 41 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 4mba h ASN 41 Cb 0.81 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.09 4mba h ASN 41 CO 0.00 0.26 0.00 0.49 -1.65 0.00 0.00 177.43 176.53 4mba n PHE 42 N -4.49 0.00 -4.84 1.19 3.72 -1.18 -4.57 117.46 107.29 4mba n PHE 42 Ca 0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.09 4mba n PHE 42 Cb 0.08 -0.33 -0.16 0.00 -0.94 0.00 0.00 39.48 38.12 4mba n PHE 42 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 4mba s PHE 43 N -2.67 2.67 0.11 1.38 0.08 -0.76 -5.06 117.98 113.73 4mba s PHE 43 Ca 0.11 -1.12 -0.32 0.00 0.12 0.00 0.00 56.93 55.72 4mba s PHE 43 Cb 0.09 -1.80 -0.12 0.00 -0.57 0.00 0.00 43.02 40.62 4mba s PHE 43 CO 0.21 -0.48 1.58 0.00 -0.10 0.00 0.00 175.22 176.43 4mba h ALA 44 N 7.05 -0.82 0.00 5.36 0.00 -1.82 -1.45 119.26 127.59 4mba h ALA 44 Ca -0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 4mba h ALA 44 Cb 1.21 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 4mba h ALA 44 CO 0.53 -1.02 -0.11 0.22 0.00 0.00 0.00 179.25 178.86 4mba h ASP 45 N -0.71 0.00 0.82 0.00 3.58 -1.97 -3.16 116.42 114.98 4mba h ASP 45 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 4mba h ASP 45 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 4mba h ASP 45 CO -0.22 0.11 -1.15 0.49 -2.88 0.00 0.00 179.24 175.60 4mba n PHE 46 N -3.30 0.79 -2.58 0.28 0.99 -1.10 -4.68 117.46 107.86 4mba n PHE 46 Ca -0.00 0.23 -0.41 0.00 -0.00 0.00 0.00 57.45 57.26 4mba n PHE 46 Cb 0.34 -0.87 -0.04 0.00 -1.00 0.00 0.00 39.48 37.92 4mba n PHE 46 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 4mba s LYS 47 N -3.38 4.57 0.00 -1.08 -2.85 -0.56 -2.46 119.74 113.98 4mba s LYS 47 Ca -0.01 1.61 0.00 0.00 -1.00 0.00 0.00 55.97 56.56 4mba s LYS 47 Cb 0.10 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 4mba s LYS 47 CO 0.81 -0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.67 4mba n GLY 48 N 2.56 3.10 3.77 0.59 0.00 -1.26 -5.00 105.19 108.95 4mba n GLY 48 Ca 0.05 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 4mba n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4mba s LYS 49 N 0.00 2.67 0.30 1.61 1.02 -1.03 -5.06 119.74 119.25 4mba s LYS 49 Ca 0.00 1.37 -0.02 0.00 0.02 0.00 0.00 55.97 57.34 4mba s LYS 49 Cb 0.00 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 4mba s LYS 49 CO 0.00 -1.35 0.52 -1.54 -0.92 0.00 0.00 175.35 172.06 4mba s SER 50 N -2.69 6.36 0.35 2.83 1.04 -1.26 -4.94 113.70 115.39 4mba s SER 50 Ca 0.66 0.54 0.08 0.00 0.48 0.00 0.00 55.95 57.71 4mba s SER 50 Cb -0.20 -2.07 0.78 0.00 0.10 0.00 0.00 66.02 64.63 4mba s SER 50 CO 0.44 -0.21 1.87 0.58 0.98 0.00 0.00 173.24 176.90 4mba h VAL 51 N 1.11 0.86 -0.38 5.02 2.07 -1.95 0.40 116.25 123.38 4mba h VAL 51 Ca -0.49 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 4mba h VAL 51 Cb 1.20 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 4mba h VAL 51 CO 0.64 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 178.31 4mba h ALA 52 N 1.59 1.19 -0.19 1.67 0.00 -1.99 0.16 119.26 121.70 4mba h ALA 52 Ca 0.44 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 4mba h ALA 52 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 4mba h ALA 52 CO -0.20 0.52 -0.53 -0.44 0.00 0.00 0.00 179.25 178.60 4mba h ASP 53 N 0.59 0.61 0.11 0.00 3.45 -0.73 -2.69 116.42 117.76 4mba h ASP 53 Ca 0.11 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.25 4mba h ASP 53 Cb 0.46 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 4mba h ASP 53 CO 0.02 1.03 -0.05 0.40 -1.57 0.00 0.00 179.24 179.07 4mba h ILE 54 N 0.43 1.05 -0.83 0.35 2.04 -0.09 -2.37 117.51 118.09 4mba h ILE 54 Ca 0.01 -0.64 0.17 0.00 1.00 0.00 0.00 64.86 65.40 4mba h ILE 54 Cb 1.07 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 4mba h ILE 54 CO 0.10 0.15 0.55 0.11 0.00 0.00 0.00 178.15 179.06 4mba h LYS 55 N -0.44 0.44 0.00 2.37 1.57 -0.71 0.18 116.57 119.97 4mba h LYS 55 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 4mba h LYS 55 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.58 4mba h LYS 55 CO 0.02 0.29 -0.17 0.00 -0.57 0.00 0.00 179.45 179.02 4mba n ALA 56 N -2.51 2.74 -1.99 3.86 0.00 -1.02 -4.92 120.51 116.67 4mba n ALA 56 Ca 0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 4mba n ALA 56 Cb 0.58 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 4mba n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 4mba s SER 57 N -3.02 6.85 0.00 0.00 0.15 0.62 -4.91 113.70 113.38 4mba s SER 57 Ca 0.13 2.45 0.18 0.00 0.70 0.00 0.00 55.95 59.40 4mba s SER 57 Cb 0.18 -2.61 0.84 0.00 -1.71 0.00 0.00 66.02 62.72 4mba s SER 57 CO 0.59 -0.57 1.55 -0.81 1.20 0.00 0.00 173.24 175.20 4mba n PRO 58 N 2.64 0.15 0.06 5.44 -0.04 -1.26 -2.65 135.00 139.34 4mba n PRO 58 Ca 0.07 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 4mba n PRO 58 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 4mba n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 4mba n LYS 59 N -1.37 0.45 -0.12 0.54 5.02 -1.26 -4.53 118.16 116.89 4mba n LYS 59 Ca 0.07 0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.34 4mba n LYS 59 Cb 0.17 -1.70 -0.00 0.00 -0.02 0.00 0.00 35.03 33.48 4mba n LYS 59 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 4mba h LEU 60 N 0.00 -0.92 -0.68 -0.35 5.85 -1.78 -2.45 115.31 114.98 4mba h LEU 60 Ca 0.00 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.94 4mba h LEU 60 Cb 0.87 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 4mba h LEU 60 CO 0.00 -0.29 0.40 -0.09 -0.34 0.00 0.00 178.44 178.12 4mba h ARG 61 N -0.21 0.75 -0.64 1.25 9.65 -1.81 0.20 114.38 123.56 4mba h ARG 61 Ca 0.19 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 4mba h ARG 61 Cb 0.50 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 4mba h ARG 61 CO -0.52 0.49 0.20 -0.44 2.80 0.00 0.00 179.97 182.51 4mba h ASP 62 N 0.77 0.93 -0.03 -3.80 3.45 -1.73 -1.27 116.42 114.73 4mba h ASP 62 Ca 0.29 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 4mba h ASP 62 Cb 0.10 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 4mba h ASP 62 CO -0.14 0.88 -0.01 0.58 -1.57 0.00 0.00 179.24 178.98 4mba h VAL 63 N 0.92 1.32 0.00 -1.35 2.07 -1.12 -3.05 116.25 115.04 4mba h VAL 63 Ca 0.21 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 4mba h VAL 63 Cb 0.29 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 4mba h VAL 63 CO -0.01 0.26 -0.23 0.77 0.02 0.00 0.00 177.57 178.38 4mba h SER 64 N -0.33 0.00 -0.24 0.57 4.64 -0.60 -3.18 113.55 114.41 4mba h SER 64 Ca 0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 4mba h SER 64 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 4mba h SER 64 CO 0.00 0.23 -0.05 0.77 -0.87 0.00 0.00 176.83 176.91 4mba h SER 65 N 0.00 0.45 -0.75 4.97 4.64 -1.22 -2.13 113.55 119.52 4mba h SER 65 Ca -0.00 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 60.97 4mba h SER 65 Cb 0.80 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 4mba h SER 65 CO 0.03 0.71 0.50 0.03 -0.87 0.00 0.00 176.83 177.23 4mba h ARG 66 N 0.19 0.97 -0.03 4.77 3.08 -1.54 0.15 114.38 121.97 4mba h ARG 66 Ca 0.06 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 4mba h ARG 66 Cb 0.51 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 4mba h ARG 66 CO 0.02 0.64 0.02 0.82 -1.07 0.00 0.00 179.97 180.40 4mba h ILE 67 N 1.00 1.09 -0.26 2.04 2.04 -1.49 -2.18 117.51 119.75 4mba h ILE 67 Ca 0.28 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 4mba h ILE 67 Cb -0.09 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 4mba h ILE 67 CO -0.06 0.07 -0.16 -0.26 0.00 0.00 0.00 178.15 177.74 4mba h PHE 68 N -0.06 0.49 -0.33 1.37 0.05 -0.43 -2.14 116.94 115.90 4mba h PHE 68 Ca 0.01 -0.08 -0.09 0.00 3.82 0.00 0.00 57.97 61.63 4mba h PHE 68 Cb 0.10 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.91 4mba h PHE 68 CO -0.04 0.60 -0.17 1.15 -0.18 0.00 0.00 178.31 179.67 4mba h THR 69 N 0.42 1.25 0.05 -1.55 2.02 -0.65 -2.03 112.91 112.42 4mba h THR 69 Ca 0.08 -1.16 -0.26 0.00 0.77 0.00 0.00 66.41 65.84 4mba h THR 69 Cb 0.52 1.19 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 4mba h THR 69 CO 0.03 0.38 -1.08 -0.09 0.37 0.00 0.00 175.52 175.14 4mba h ARG 70 N 0.53 0.48 -0.44 6.66 9.65 -1.04 -3.00 114.38 127.22 4mba h ARG 70 Ca 0.09 -0.58 -0.04 0.00 -1.10 0.00 0.00 59.98 58.35 4mba h ARG 70 Cb 0.59 0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 4mba h ARG 70 CO 0.04 1.22 0.10 1.25 2.80 0.00 0.00 179.97 185.37 4mba h LEU 71 N 0.24 0.62 -0.35 3.80 6.46 -1.29 0.12 115.31 124.90 4mba h LEU 71 Ca -0.12 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 4mba h LEU 71 Cb 1.74 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.49 4mba h LEU 71 CO 0.19 0.62 0.19 -1.13 -0.62 0.00 0.00 178.44 177.69 4mba h ASN 72 N 0.65 0.44 -0.27 1.25 -0.73 -1.39 0.40 115.58 115.93 4mba h ASN 72 Ca 0.15 -0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 4mba h ASN 72 Cb 0.26 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 4mba h ASN 72 CO -0.00 0.40 0.01 -0.33 -0.37 0.00 0.00 177.43 177.14 4mba h GLU 73 N 0.44 0.58 -0.29 6.67 4.39 -1.21 -0.03 114.58 125.12 4mba h GLU 73 Ca 0.12 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 4mba h GLU 73 Cb 0.07 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 4mba h GLU 73 CO -0.02 0.60 -0.36 0.74 -1.16 0.00 0.00 179.01 178.80 4mba h PHE 74 N 0.55 0.78 -0.66 4.33 -1.00 -0.01 -2.76 116.94 118.18 4mba h PHE 74 Ca 0.12 -0.22 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 4mba h PHE 74 Cb 0.34 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 4mba h PHE 74 CO 0.01 0.93 0.17 0.28 -1.61 0.00 0.00 178.31 178.09 4mba h VAL 75 N 0.56 1.26 -0.71 -0.55 2.07 -0.50 -1.01 116.25 117.36 4mba h VAL 75 Ca 0.05 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 4mba h VAL 75 Cb 0.88 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 4mba h VAL 75 CO 0.08 0.36 0.38 0.78 0.02 0.00 0.00 177.57 179.19 4mba h ASN 76 N 0.99 0.90 -0.14 0.57 2.35 -0.88 -3.28 115.58 116.09 4mba h ASN 76 Ca 0.21 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 4mba h ASN 76 Cb 0.36 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.50 4mba h ASN 76 CO 0.00 0.74 0.00 0.59 -1.65 0.00 0.00 177.43 177.11 4mba n ASN 77 N -4.48 3.04 -0.41 5.81 3.02 -1.05 -4.71 115.26 116.48 4mba n ASN 77 Ca 0.06 -1.95 0.34 0.00 -0.03 0.00 0.00 54.58 53.00 4mba n ASN 77 Cb 0.10 -0.08 0.62 0.00 -0.61 0.00 0.00 39.78 39.81 4mba n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4mba h ALA 78 N 4.37 2.60 -0.49 5.41 0.00 -1.24 -1.44 119.26 128.47 4mba h ALA 78 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 4mba h ALA 78 Cb 0.94 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 4mba h ALA 78 CO 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 179.25 178.11 4mba n ALA 79 N -2.50 3.74 -3.68 0.00 0.00 -1.26 -1.60 120.51 115.21 4mba n ALA 79 Ca 0.35 -1.60 -0.29 0.00 0.00 0.00 0.00 53.44 51.90 4mba n ALA 79 Cb 1.30 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.50 4mba n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 4mba s ASN 80 N -0.63 3.55 0.48 0.00 3.84 -0.54 -4.81 114.94 116.81 4mba s ASN 80 Ca 0.43 -2.59 0.32 0.00 0.21 0.00 0.00 52.86 51.23 4mba s ASN 80 Cb 0.34 -0.95 1.42 0.00 -0.55 0.00 0.00 41.25 41.50 4mba s ASN 80 CO 0.12 -0.27 1.71 0.00 -2.79 0.00 0.00 177.10 175.88 4mba h ALA 81 N 6.74 2.87 0.85 1.71 0.00 -1.82 -1.51 119.26 128.10 4mba h ALA 81 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 4mba h ALA 81 Cb 0.93 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.84 4mba h ALA 81 CO 0.46 -1.34 -0.41 0.78 0.00 0.00 0.00 179.25 178.74 4mba h GLY 82 N 0.13 -1.19 0.58 0.00 0.00 -1.93 0.40 103.07 101.07 4mba h GLY 82 Ca 0.70 0.44 0.09 0.00 0.00 0.00 0.00 47.33 48.55 4mba h GLY 82 CO -0.20 -0.43 0.51 0.50 0.00 0.00 0.00 176.54 176.91 4mba h LYS 83 N -1.21 0.84 -0.42 4.80 1.57 -1.69 -1.29 116.57 119.17 4mba h LYS 83 Ca -0.12 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 4mba h LYS 83 Cb 0.87 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 4mba h LYS 83 CO 0.19 0.56 0.24 0.52 -0.57 0.00 0.00 179.45 180.39 4mba h MET 84 N 0.87 0.47 -0.59 3.15 2.86 -1.20 0.89 114.93 121.38 4mba h MET 84 Ca 0.40 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.07 4mba h MET 84 Cb 0.31 -0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.77 4mba h MET 84 CO -0.22 0.31 -0.54 0.77 1.06 0.00 0.00 176.91 178.28 4mba h SER 85 N 0.48 -1.88 -0.36 1.22 0.02 0.30 0.66 113.55 113.98 4mba h SER 85 Ca 0.17 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 4mba h SER 85 Cb 0.02 0.79 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 4mba h SER 85 CO -0.09 -0.33 0.17 0.00 -1.14 0.00 0.00 176.83 175.45 4mba h ALA 86 N 0.08 0.47 -0.72 3.77 0.00 -1.38 -1.78 119.26 119.69 4mba h ALA 86 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 4mba h ALA 86 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 4mba h ALA 86 CO -0.68 0.04 0.37 0.52 0.00 0.00 0.00 179.25 179.50 4mba h MET 87 N 0.45 1.02 -0.58 0.00 2.86 0.50 -2.44 114.93 116.74 4mba h MET 87 Ca 0.12 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 4mba h MET 87 Cb 0.13 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 4mba h MET 87 CO -0.01 0.78 0.23 -0.07 1.06 0.00 0.00 176.91 178.90 4mba h LEU 88 N 1.00 0.80 0.00 1.22 3.38 0.35 -0.81 115.31 121.26 4mba h LEU 88 Ca 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 4mba h LEU 88 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 4mba h LEU 88 CO -0.04 0.76 -0.00 0.28 0.09 0.00 0.00 178.44 179.53 4mba h SER 89 N 0.80 -0.00 -0.56 -0.43 0.02 -1.23 0.09 113.55 112.23 4mba h SER 89 Ca 0.19 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 4mba h SER 89 Cb 0.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 4mba h SER 89 CO -0.01 0.15 0.00 -0.61 -1.14 0.00 0.00 176.83 175.22 4mba h GLN 90 N -0.16 1.01 -0.07 3.45 5.75 -1.42 -0.64 115.11 123.02 4mba h GLN 90 Ca -0.00 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.18 4mba h GLN 90 Cb 0.16 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 4mba h GLN 90 CO 0.00 0.99 0.02 0.35 -2.65 0.00 0.00 178.83 177.54 4mba h PHE 91 N 0.93 0.12 -0.28 3.99 3.57 -0.95 -1.90 116.94 122.41 4mba h PHE 91 Ca 0.17 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 4mba h PHE 91 Cb 0.54 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 4mba h PHE 91 CO 0.04 0.30 0.14 0.00 -2.23 0.00 0.00 178.31 176.55 4mba h ALA 92 N 0.81 0.36 -0.68 2.41 0.00 -0.92 -1.92 119.26 119.32 4mba h ALA 92 Ca 0.02 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.96 4mba h ALA 92 Cb 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 4mba h ALA 92 CO -0.00 -0.09 0.25 0.87 0.00 0.00 0.00 179.25 180.28 4mba h LYS 93 N 0.32 0.39 -0.07 0.00 1.57 -1.06 -0.60 116.57 117.13 4mba h LYS 93 Ca 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 4mba h LYS 93 Cb 0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 4mba h LYS 93 CO -0.01 0.26 0.01 0.93 -0.57 0.00 0.00 179.45 180.07 4mba h GLU 94 N 0.40 0.11 -0.59 3.15 5.08 -1.14 -3.13 114.58 118.47 4mba h GLU 94 Ca 0.36 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 4mba h GLU 94 Cb 0.51 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 4mba h GLU 94 CO -0.37 0.33 0.11 0.45 -1.00 0.00 0.00 179.01 178.53 4mba h HIS 95 N -0.12 1.02 -0.52 4.33 3.86 -0.74 -2.93 115.15 120.04 4mba h HIS 95 Ca 0.02 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.13 4mba h HIS 95 Cb 0.27 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 4mba h HIS 95 CO 0.01 0.88 0.35 0.28 0.86 0.00 0.00 177.93 180.31 4mba h VAL 96 N 0.87 1.06 -0.04 2.45 2.07 -1.15 -0.63 116.25 120.88 4mba h VAL 96 Ca 0.18 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.51 4mba h VAL 96 Cb 0.40 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 4mba h VAL 96 CO 0.01 0.11 0.03 1.23 0.02 0.00 0.00 177.57 178.97 4mba h GLY 97 N 0.60 0.00 0.29 2.17 0.00 -1.45 -0.56 103.07 104.12 4mba h GLY 97 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 4mba h GLY 97 CO -0.05 0.00 -0.52 0.69 0.00 0.00 0.00 176.54 176.65 4mba n PHE 98 N -4.32 0.00 -0.13 5.60 3.72 -0.29 -4.95 117.46 117.09 4mba n PHE 98 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 4mba n PHE 98 Cb 0.12 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 4mba n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4mba n GLY 99 N 1.44 0.77 3.78 1.37 0.00 -0.22 -5.01 105.19 107.32 4mba n GLY 99 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 4mba n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4mba s VAL 100 N -2.11 4.73 0.12 1.61 1.01 -0.90 -4.99 120.40 119.87 4mba s VAL 100 Ca 0.00 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.36 4mba s VAL 100 Cb 0.00 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 4mba s VAL 100 CO 0.00 0.48 0.09 0.61 0.00 0.00 0.00 175.10 176.28 4mba n GLY 101 N 2.00 3.67 0.39 4.51 0.00 -1.26 -3.43 105.19 111.08 4mba n GLY 101 Ca -0.08 -1.79 0.21 0.00 0.00 0.00 0.00 46.02 44.36 4mba n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 4mba h SER 102 N 0.68 0.00 -0.41 1.61 4.64 -1.86 -2.24 113.55 115.97 4mba h SER 102 Ca -0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 4mba h SER 102 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 4mba h SER 102 CO 0.13 0.00 0.19 0.00 -0.87 0.00 0.00 176.83 176.28 4mba h ALA 103 N 1.62 1.47 -0.25 5.18 0.00 -1.96 0.85 119.26 126.18 4mba h ALA 103 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 4mba h ALA 103 Cb 1.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 4mba h ALA 103 CO -0.00 0.41 -0.33 1.96 0.00 0.00 0.00 179.25 181.29 4mba h GLN 104 N 0.64 0.53 0.00 0.00 7.50 -1.81 -2.67 115.11 119.30 4mba h GLN 104 Ca 0.16 -0.24 -0.05 0.00 0.50 0.00 0.00 58.65 59.02 4mba h GLN 104 Cb 0.12 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 4mba h GLN 104 CO -0.02 0.80 -0.25 0.74 -1.50 0.00 0.00 178.83 178.60 4mba h PHE 105 N 0.45 0.00 -0.44 2.96 0.04 -1.41 -2.57 116.94 115.98 4mba h PHE 105 Ca 0.05 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 4mba h PHE 105 Cb 0.79 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 4mba h PHE 105 CO 0.03 0.24 -0.05 0.93 -0.60 0.00 0.00 178.31 178.86 4mba h GLU 106 N 0.00 0.75 -0.00 1.51 5.08 -0.60 0.38 114.58 121.69 4mba h GLU 106 Ca -0.00 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 4mba h GLU 106 Cb 1.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 4mba h GLU 106 CO 0.03 0.80 0.00 -0.91 -1.00 0.00 0.00 179.01 177.93 4mba h ASN 107 N 0.69 0.01 -0.49 1.42 -0.26 -1.29 -1.22 115.58 114.43 4mba h ASN 107 Ca 0.13 -0.27 0.09 0.00 -0.56 0.00 0.00 56.30 55.69 4mba h ASN 107 Cb 0.50 -0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.69 4mba h ASN 107 CO 0.03 0.27 0.09 0.58 -1.06 0.00 0.00 177.43 177.34 4mba h VAL 108 N -0.26 0.71 -0.21 2.81 2.07 -1.22 -1.96 116.25 118.18 4mba h VAL 108 Ca 0.00 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.50 4mba h VAL 108 Cb 0.27 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 4mba h VAL 108 CO 0.00 0.04 -0.15 -0.09 0.02 0.00 0.00 177.57 177.39 4mba h ARG 109 N 0.22 -0.14 -0.52 1.57 2.43 -0.77 0.07 114.38 117.25 4mba h ARG 109 Ca 0.25 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.53 4mba h ARG 109 Cb 0.34 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 4mba h ARG 109 CO -0.33 -0.09 -0.14 0.77 -1.51 0.00 0.00 179.97 178.66 4mba h SER 110 N -0.14 -0.52 0.28 -3.80 0.02 -0.44 -2.97 113.55 105.98 4mba h SER 110 Ca 0.12 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 4mba h SER 110 Cb 0.33 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.20 4mba h SER 110 CO -0.30 -0.18 -0.69 0.80 -1.14 0.00 0.00 176.83 175.32 4mba n MET 111 N -5.38 0.06 0.30 3.45 0.00 -1.08 -4.62 117.12 109.85 4mba n MET 111 Ca 0.05 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.70 57.54 4mba n MET 111 Cb 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.92 4mba n MET 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 4mba h PHE 112 N 0.11 -0.99 -0.91 1.12 3.04 -0.80 -2.31 116.94 116.19 4mba h PHE 112 Ca 0.00 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.11 4mba h PHE 112 Cb 0.51 0.37 -0.10 0.00 2.56 0.00 0.00 35.95 39.28 4mba h PHE 112 CO 0.00 -0.55 0.50 -1.35 -2.02 0.00 0.00 178.31 174.89 4mba h PRO 113 N -0.86 0.65 -0.27 6.41 0.11 -1.82 -0.31 132.00 135.90 4mba h PRO 113 Ca -0.06 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 4mba h PRO 113 Cb 0.72 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 4mba h PRO 113 CO 0.02 0.43 -0.20 0.78 -0.21 0.00 0.00 178.00 178.82 4mba h GLY 114 N 0.67 0.54 0.69 -0.55 0.00 -1.83 -1.77 103.07 100.81 4mba h GLY 114 Ca 0.51 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 4mba h GLY 114 CO -0.38 0.38 -0.02 -2.75 0.00 0.00 0.00 176.54 173.77 4mba h PHE 115 N 0.45 -0.05 -0.52 5.60 3.57 -0.51 -2.23 116.94 123.25 4mba h PHE 115 Ca 0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.61 4mba h PHE 115 Cb 0.60 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 4mba h PHE 115 CO 0.02 0.26 0.27 0.28 -2.23 0.00 0.00 178.31 176.92 4mba h VAL 116 N -0.36 0.97 -0.01 1.41 2.07 -1.18 -2.33 116.25 116.83 4mba h VAL 116 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 4mba h VAL 116 Cb 0.33 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 4mba h VAL 116 CO 0.01 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 177.67 4mba h ALA 117 N 1.27 1.95 0.00 1.67 0.00 -1.28 0.15 119.26 123.02 4mba h ALA 117 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 4mba h ALA 117 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 4mba h ALA 117 CO -0.15 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 4mba n SER 118 N -4.51 0.36 -0.13 0.00 3.41 -0.84 -3.21 113.62 108.70 4mba n SER 118 Ca -0.03 0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 58.96 4mba n SER 118 Cb 0.11 -0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 4mba n SER 118 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 4mba n VAL 119 N -1.92 1.51 -3.64 -3.33 0.31 -0.01 -5.04 118.33 106.21 4mba n VAL 119 Ca 0.02 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.79 4mba n VAL 119 Cb 0.16 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 4mba n VAL 119 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 4mba s ALA 120 N -2.52 -2.11 0.16 3.52 0.00 -0.92 -5.00 121.76 114.90 4mba s ALA 120 Ca -0.37 1.92 -0.32 0.00 0.00 0.00 0.00 51.96 53.19 4mba s ALA 120 Cb 0.11 -1.58 -0.12 0.00 0.00 0.00 0.00 23.12 21.53 4mba s ALA 120 CO 0.56 -0.24 1.72 0.00 0.00 0.00 0.00 175.76 177.79 4mba n ALA 121 N 2.47 2.21 -1.75 0.00 0.00 -1.26 -4.11 120.51 118.07 4mba n ALA 121 Ca -0.14 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 4mba n ALA 121 Cb 0.56 -2.49 0.03 0.00 0.00 0.00 0.00 19.45 17.55 4mba n ALA 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 4mba s PRO 122 N 1.58 3.33 0.57 0.00 0.04 -1.26 -5.02 135.00 134.23 4mba s PRO 122 Ca 0.78 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 4mba s PRO 122 Cb -0.56 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 4mba s PRO 122 CO 0.36 -0.79 1.10 -1.25 0.04 0.00 0.00 177.00 176.46 4mba s PRO 123 N -5.12 3.30 0.32 0.56 0.04 -1.26 -4.89 135.00 127.94 4mba s PRO 123 Ca 0.56 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 4mba s PRO 123 Cb -0.12 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 4mba s PRO 123 CO 0.54 -0.86 1.14 0.00 0.04 0.00 0.00 177.00 177.87 4mba n ALA 124 N -1.58 0.51 0.00 8.56 0.00 -1.26 -0.63 120.51 126.11 4mba n ALA 124 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 4mba n ALA 124 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.83 4mba n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4mba n GLY 125 N 1.00 2.66 0.24 0.00 0.00 -1.26 -4.86 105.19 102.96 4mba n GLY 125 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 4mba n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4mba h ALA 126 N 0.00 0.90 -0.83 4.61 0.00 -1.16 -2.91 119.26 119.87 4mba h ALA 126 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.55 4mba h ALA 126 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 4mba h ALA 126 CO 0.00 0.63 0.53 -0.44 0.00 0.00 0.00 179.25 179.96 4mba h ASP 127 N 0.50 0.85 0.09 0.00 3.45 -1.89 -1.98 116.42 117.44 4mba h ASP 127 Ca 0.05 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.40 4mba h ASP 127 Cb 0.83 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 4mba h ASP 127 CO 0.07 0.57 -0.39 0.00 -1.57 0.00 0.00 179.24 177.92 4mba h ALA 128 N 1.37 1.01 -0.61 3.45 0.00 -1.94 -2.46 119.26 120.08 4mba h ALA 128 Ca 0.35 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.85 4mba h ALA 128 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 4mba h ALA 128 CO -0.14 0.61 0.40 0.00 0.00 0.00 0.00 179.25 180.12 4mba h ALA 129 N 1.26 0.77 -0.38 0.00 0.00 -1.18 -1.02 119.26 118.71 4mba h ALA 129 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 4mba h ALA 129 Cb 0.83 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 4mba h ALA 129 CO 0.07 0.20 -0.13 -1.49 0.00 0.00 0.00 179.25 177.89 4mba h TRP 130 N 0.82 0.87 -0.68 0.00 4.06 -1.26 0.41 115.95 120.16 4mba h TRP 130 Ca 0.23 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 4mba h TRP 130 Cb -0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 27.84 4mba h TRP 130 CO -0.03 0.92 0.31 1.79 -3.56 0.00 0.00 178.44 177.86 4mba h THR 131 N 0.56 1.22 -0.22 1.49 1.35 -1.30 0.18 112.91 116.20 4mba h THR 131 Ca 0.09 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 4mba h THR 131 Cb 0.66 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 4mba h THR 131 CO 0.05 0.27 0.06 0.50 -0.25 0.00 0.00 175.52 176.15 4mba h LYS 132 N 0.97 0.34 -0.84 4.72 3.64 -0.95 0.24 116.57 124.69 4mba h LYS 132 Ca 0.24 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 4mba h LYS 132 Cb 0.13 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 4mba h LYS 132 CO -0.03 0.44 0.48 1.25 -2.27 0.00 0.00 179.45 179.32 4mba h LEU 133 N 0.18 1.04 -0.89 5.20 5.85 -0.44 -1.09 115.31 125.16 4mba h LEU 133 Ca 0.07 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 4mba h LEU 133 Cb 0.24 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 4mba h LEU 133 CO -0.00 0.82 -0.52 -0.26 -0.34 0.00 0.00 178.44 178.15 4mba h PHE 134 N 1.17 0.12 -0.08 1.25 -1.00 -0.41 -2.69 116.94 115.30 4mba h PHE 134 Ca 0.30 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 61.07 4mba h PHE 134 Cb -0.00 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 4mba h PHE 134 CO 0.00 0.59 -0.10 0.78 -1.61 0.00 0.00 178.31 177.97 4mba h GLY 135 N 1.48 -0.05 1.07 -1.45 0.00 0.28 0.18 103.07 104.58 4mba h GLY 135 Ca -0.00 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.58 4mba h GLY 135 CO 0.07 -0.11 0.35 1.41 0.00 0.00 0.00 176.54 178.25 4mba h LEU 136 N -0.14 0.09 0.04 3.11 3.38 -0.89 -0.30 115.31 120.60 4mba h LEU 136 Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 4mba h LEU 136 Cb 0.24 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.99 4mba h LEU 136 CO -0.17 0.05 -0.77 0.40 0.09 0.00 0.00 178.44 178.05 4mba h ILE 137 N 0.10 1.41 -0.04 1.22 2.04 -1.05 -2.71 117.51 118.48 4mba h ILE 137 Ca 0.23 -2.23 -0.00 0.00 1.00 0.00 0.00 64.86 63.86 4mba h ILE 137 Cb 0.79 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 4mba h ILE 137 CO -0.02 0.65 0.02 0.40 0.00 0.00 0.00 178.15 179.20 4mba h ILE 138 N -0.06 1.06 -0.96 -0.67 2.04 0.45 -2.26 117.51 117.10 4mba h ILE 138 Ca -0.11 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.65 4mba h ILE 138 Cb 1.49 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 4mba h ILE 138 CO 0.15 0.05 0.62 0.44 0.00 0.00 0.00 178.15 179.40 4mba h ASP 139 N -0.00 0.99 0.22 1.72 3.32 -1.19 -0.44 116.42 121.05 4mba h ASP 139 Ca 0.01 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 4mba h ASP 139 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 4mba h ASP 139 CO -0.00 0.64 -0.21 0.00 -1.72 0.00 0.00 179.24 177.95 4mba h ALA 140 N 1.44 1.62 -0.22 3.45 0.00 -1.13 -1.89 119.26 122.52 4mba h ALA 140 Ca 0.41 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 4mba h ALA 140 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 4mba h ALA 140 CO -0.17 0.26 -0.48 -0.07 0.00 0.00 0.00 179.25 178.80 4mba h LEU 141 N 0.00 0.80 -1.58 0.00 3.38 -0.55 -1.43 115.31 115.94 4mba h LEU 141 Ca -0.00 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 4mba h LEU 141 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 4mba h LEU 141 CO 0.03 1.21 -0.22 0.11 0.09 0.00 0.00 178.44 179.65 4mba h LYS 142 N 0.43 0.00 0.05 1.13 1.57 -0.95 -0.56 116.57 118.24 4mba h LYS 142 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 4mba h LYS 142 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 4mba h LYS 142 CO 0.11 0.22 -1.13 0.00 -0.57 0.00 0.00 179.45 178.08 4mba h ALA 143 N 1.78 0.27 0.00 3.86 0.00 -1.11 -3.10 119.26 120.95 4mba h ALA 143 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 4mba h ALA 143 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 4mba h ALA 143 CO 0.03 1.16 0.00 0.00 0.00 0.00 0.00 179.25 180.44 4mba n ALA 144 N -2.43 2.41 0.00 0.00 0.00 -0.56 -4.86 120.51 115.06 4mba n ALA 144 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.32 4mba n ALA 144 Cb 0.98 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.22 4mba n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4mba n GLY 145 N 0.49 0.48 0.00 0.00 0.00 -1.09 -5.00 105.19 100.07 4mba n GLY 145 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 4mba n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32