#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1muq n PRO 4 N -0.51 2.09 0.22 0.00 -0.02 -1.26 -4.81 135.00 130.71 1muq n PRO 4 Ca -0.04 0.75 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1muq n PRO 4 Cb 0.65 -2.61 0.46 0.00 -0.02 0.00 0.00 33.50 31.97 1muq n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1muq h LEU 5 N 2.04 0.00 -3.34 2.45 4.07 -2.04 -1.22 115.31 117.26 1muq h LEU 5 Ca -0.51 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 1muq h LEU 5 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 1muq h LEU 5 CO 0.60 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.06 1muq n ASP 6 N -2.28 4.30 -4.65 -0.43 5.75 -1.26 -4.98 116.55 112.99 1muq n ASP 6 Ca -0.01 -3.02 -0.25 0.00 -0.01 0.00 0.00 54.79 51.50 1muq n ASP 6 Cb 0.37 -0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 39.79 1muq n ASP 6 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1muq s TRP 7 N -2.83 2.56 -0.39 2.11 0.52 -0.46 -4.98 118.94 115.47 1muq s TRP 7 Ca 0.45 -0.48 -0.17 0.00 0.02 0.00 0.00 56.10 55.93 1muq s TRP 7 Cb 0.36 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.09 1muq s TRP 7 CO 0.10 0.42 0.44 -1.17 0.02 0.00 0.00 176.95 176.76 1muq s LEU 8 N -3.75 4.66 0.01 2.99 2.96 0.98 -4.88 118.68 121.65 1muq s LEU 8 Ca 0.36 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.52 1muq s LEU 8 Cb 0.01 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1muq s LEU 8 CO 0.20 -0.51 1.12 -2.84 -1.32 0.00 0.00 176.35 173.00 1muq s PRO 9 N 2.18 4.45 -0.24 0.98 0.02 -1.26 -0.66 135.00 140.47 1muq s PRO 9 Ca 0.13 1.62 -0.04 0.00 0.02 0.00 0.00 61.00 62.74 1muq s PRO 9 Cb -0.17 -3.44 0.13 0.00 0.02 0.00 0.00 34.50 31.04 1muq s PRO 9 CO 0.13 -0.25 0.44 1.41 -0.33 0.00 0.00 177.00 178.41 1muq s MET 10 N 1.38 0.39 -1.30 5.54 1.75 0.15 -4.98 119.30 122.23 1muq s MET 10 Ca 0.55 0.82 -0.23 0.00 -1.25 0.00 0.00 55.69 55.59 1muq s MET 10 Cb -0.25 0.02 0.03 0.00 2.84 0.00 0.00 34.83 37.47 1muq s MET 10 CO 0.26 -0.49 0.51 0.09 -0.65 0.00 0.00 175.02 174.75 1muq n ASN 11 N 5.39 -2.79 0.00 1.11 3.02 -1.26 -0.73 115.26 120.00 1muq n ASN 11 Ca -0.05 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1muq n ASN 11 Cb 0.50 -1.89 0.00 0.00 -0.61 0.00 0.00 39.78 37.78 1muq n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1muq n GLY 12 N -2.17 2.62 3.67 7.41 0.00 -1.26 -5.01 105.19 110.44 1muq n GLY 12 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1muq n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1muq s LEU 13 N 0.00 2.86 -0.07 0.99 1.43 0.09 -4.89 118.68 119.10 1muq s LEU 13 Ca 0.00 -1.34 0.05 0.00 -1.03 0.00 0.00 54.13 51.81 1muq s LEU 13 Cb 0.00 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.21 1muq s LEU 13 CO 0.00 -0.53 -0.22 0.00 0.23 0.00 0.00 176.35 175.83 1muq s TYR 15 N 0.07 1.92 -0.26 0.00 1.51 0.17 -0.19 117.35 120.57 1muq s TYR 15 Ca -0.08 -0.43 -0.15 0.00 -1.01 0.00 0.00 57.07 55.40 1muq s TYR 15 Cb -0.14 -0.99 0.08 0.00 -0.11 0.00 0.00 41.96 40.79 1muq s TYR 15 CO 0.05 0.32 0.64 0.21 -1.11 0.00 0.00 175.55 175.65 1muq s LYS 16 N -2.45 0.65 0.12 -0.62 2.20 -0.80 -0.01 119.74 118.83 1muq s LYS 16 Ca 0.13 1.15 -0.21 0.00 -0.36 0.00 0.00 55.97 56.68 1muq s LYS 16 Cb -0.08 0.12 -0.07 0.00 -1.51 0.00 0.00 37.83 36.29 1muq s LYS 16 CO 0.06 -0.15 0.66 0.96 -0.36 0.00 0.00 175.35 176.52 1muq s ILE 17 N 1.61 4.59 -0.10 5.43 -5.25 -1.26 -0.71 121.20 125.51 1muq s ILE 17 Ca -0.10 1.39 0.01 0.00 -0.99 0.00 0.00 60.65 60.96 1muq s ILE 17 Cb -0.06 -3.98 -0.02 0.00 2.95 0.00 0.00 42.46 41.36 1muq s ILE 17 CO -0.19 0.51 -0.14 -0.36 -1.79 0.00 0.00 174.94 172.97 1muq s PHE 18 N -1.17 2.77 -1.14 1.37 0.40 0.14 -4.97 117.98 115.38 1muq s PHE 18 Ca 0.33 -0.51 0.28 0.00 -0.60 0.00 0.00 56.93 56.42 1muq s PHE 18 Cb -0.20 -1.77 0.99 0.00 0.51 0.00 0.00 43.02 42.54 1muq s PHE 18 CO 0.22 -0.10 1.74 0.09 0.70 0.00 0.00 175.22 177.87 1muq n ASN 19 N 3.15 0.27 -4.77 1.36 3.02 -1.26 -1.84 115.26 115.19 1muq n ASN 19 Ca -0.18 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 53.98 1muq n ASN 19 Cb 0.53 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1muq n ASN 19 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1muq s GLN 20 N -2.89 4.02 -0.20 3.52 -0.21 -1.26 -4.74 119.66 117.90 1muq s GLN 20 Ca 0.16 2.44 -0.18 0.00 0.02 0.00 0.00 55.36 57.80 1muq s GLN 20 Cb 0.19 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 1muq s GLN 20 CO 0.58 -0.56 0.48 -0.51 -2.12 0.00 0.00 175.29 173.16 1muq s LEU 21 N -2.26 4.14 0.22 2.90 1.43 -1.26 -4.21 118.68 119.64 1muq s LEU 21 Ca 0.55 0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1muq s LEU 21 Cb -0.44 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1muq s LEU 21 CO 0.58 -0.16 0.14 -0.54 0.23 0.00 0.00 176.35 176.60 1muq s LYS 22 N 1.59 1.26 0.62 1.70 1.02 -0.32 -4.80 119.74 120.81 1muq s LYS 22 Ca 0.22 -1.67 -0.09 0.00 0.02 0.00 0.00 55.97 54.45 1muq s LYS 22 Cb -0.15 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 1muq s LYS 22 CO 0.09 -0.40 0.99 0.95 -0.92 0.00 0.00 175.35 176.06 1muq s THR 23 N -4.07 4.24 0.16 2.17 -4.23 -1.25 -1.32 115.64 111.34 1muq s THR 23 Ca 0.39 0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 61.23 1muq s THR 23 Cb 0.07 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.28 1muq s THR 23 CO 0.13 -0.85 1.64 -0.25 -0.54 0.00 0.00 174.62 174.75 1muq h TRP 24 N -0.30 -0.47 -0.62 3.99 7.01 -1.47 0.98 115.95 125.08 1muq h TRP 24 Ca -0.45 0.04 0.11 0.00 2.11 0.00 0.00 58.89 60.70 1muq h TRP 24 Cb 1.22 0.26 -0.08 0.00 -2.10 0.00 0.00 29.16 28.46 1muq h TRP 24 CO 0.57 -0.26 0.20 1.49 -2.79 0.00 0.00 178.44 177.65 1muq h GLU 25 N -0.13 0.35 0.00 2.65 4.81 -1.93 -0.86 114.58 119.47 1muq h GLU 25 Ca 0.17 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1muq h GLU 25 Cb 0.40 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1muq h GLU 25 CO -0.43 0.23 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.22 1muq h ASP 26 N 0.36 0.00 -0.26 1.04 3.32 -1.69 -2.21 116.42 116.98 1muq h ASP 26 Ca 0.32 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1muq h ASP 26 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1muq h ASP 26 CO -0.35 0.42 -0.08 0.00 -1.72 0.00 0.00 179.24 177.51 1muq h ALA 27 N 1.58 0.35 0.42 3.45 0.00 0.48 0.24 119.26 125.79 1muq h ALA 27 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1muq h ALA 27 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1muq h ALA 27 CO 0.05 0.18 -0.27 1.49 0.00 0.00 0.00 179.25 180.71 1muq h GLU 28 N 0.25 -0.64 -0.93 0.00 4.22 -1.14 -0.64 114.58 115.70 1muq h GLU 28 Ca 0.06 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.59 1muq h GLU 28 Cb 0.57 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1muq h GLU 28 CO 0.03 -0.43 0.61 0.52 -2.18 0.00 0.00 179.01 177.56 1muq h MET 29 N -0.66 1.11 -0.64 1.92 2.86 -1.38 0.25 114.93 118.38 1muq h MET 29 Ca -0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1muq h MET 29 Cb 0.55 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1muq h MET 29 CO 0.04 0.73 0.13 0.35 1.06 0.00 0.00 176.91 179.23 1muq h PHE 30 N 1.14 1.09 -0.11 -0.22 3.04 -0.62 0.76 116.94 122.02 1muq h PHE 30 Ca 0.38 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 1muq h PHE 30 Cb 0.07 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.27 1muq h PHE 30 CO -0.00 0.91 0.02 0.00 -2.02 0.00 0.00 178.31 177.22 1muq h ARG 32 N -0.05 0.49 -0.02 0.00 2.47 -0.36 -1.70 114.38 115.22 1muq h ARG 32 Ca 0.03 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1muq h ARG 32 Cb 0.30 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1muq h ARG 32 CO 0.00 0.33 -0.11 1.63 0.56 0.00 0.00 179.97 182.38 1muq n LYS 33 N -4.47 1.61 -0.13 0.04 4.76 0.24 -4.03 118.16 116.16 1muq n LYS 33 Ca 0.08 -1.11 -0.12 0.00 -2.87 0.00 0.00 58.31 54.28 1muq n LYS 33 Cb 0.24 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.94 1muq n LYS 33 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1muq h TYR 34 N 2.72 1.05 -1.51 2.13 5.03 -0.07 -3.46 116.97 122.85 1muq h TYR 34 Ca 0.00 -0.28 0.13 0.00 2.58 0.00 0.00 58.73 61.16 1muq h TYR 34 Cb 0.66 -0.24 -0.23 0.00 1.55 0.00 0.00 36.73 38.47 1muq h TYR 34 CO 0.00 1.08 0.65 -1.59 -1.32 0.00 0.00 178.16 176.97 1muq s LYS 35 N -4.56 0.48 0.18 1.82 -2.85 -1.25 -5.12 119.74 108.44 1muq s LYS 35 Ca -0.12 0.06 -0.32 0.00 -1.00 0.00 0.00 55.97 54.59 1muq s LYS 35 Cb 0.11 0.23 -0.11 0.00 -2.06 0.00 0.00 37.83 35.99 1muq s LYS 35 CO 0.86 -0.16 1.74 -1.25 0.10 0.00 0.00 175.35 176.64 1muq s PRO 36 N -1.38 4.13 0.00 1.78 0.04 -1.26 -3.06 135.00 135.25 1muq s PRO 36 Ca 0.02 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1muq s PRO 36 Cb -0.01 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1muq s PRO 36 CO -0.02 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1muq n GLY 37 N 4.04 1.11 3.78 0.56 0.00 -1.26 -4.77 105.19 108.65 1muq n GLY 37 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1muq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1muq s HIS 39 N -1.56 0.51 0.54 0.00 3.76 0.17 -3.36 115.29 115.36 1muq s HIS 39 Ca 0.30 -0.92 -0.20 0.00 -0.15 0.00 0.00 55.06 54.09 1muq s HIS 39 Cb -0.11 0.30 -0.05 0.00 1.11 0.00 0.00 32.58 33.82 1muq s HIS 39 CO 0.22 -1.21 1.17 -0.51 -0.85 0.00 0.00 174.74 173.56 1muq s LEU 40 N -3.10 3.78 0.63 0.89 1.43 -1.26 0.18 118.68 121.23 1muq s LEU 40 Ca 0.23 2.29 -0.18 0.00 -1.03 0.00 0.00 54.13 55.44 1muq s LEU 40 Cb -0.02 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1muq s LEU 40 CO 0.14 -1.28 1.27 0.00 0.23 0.00 0.00 176.35 176.70 1muq s ALA 41 N -1.65 2.43 0.17 4.21 0.00 0.47 -3.79 121.76 123.61 1muq s ALA 41 Ca 0.72 1.15 0.11 0.00 0.00 0.00 0.00 51.96 53.94 1muq s ALA 41 Cb -0.27 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1muq s ALA 41 CO 0.31 -1.45 -0.22 -1.54 0.00 0.00 0.00 175.76 172.86 1muq s SER 42 N -1.46 3.56 0.04 0.00 1.04 -1.26 -0.09 113.70 115.54 1muq s SER 42 Ca 0.81 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 56.54 1muq s SER 42 Cb -0.35 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 1muq s SER 42 CO 0.37 0.13 -0.23 -0.36 0.98 0.00 0.00 173.24 174.13 1muq s PHE 43 N -1.53 2.06 0.00 5.02 0.40 -1.26 -5.03 117.98 117.64 1muq s PHE 43 Ca 0.20 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1muq s PHE 43 Cb -0.09 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.21 1muq s PHE 43 CO 0.10 0.11 0.03 0.72 0.70 0.00 0.00 175.22 176.87 1muq n HIS 44 N 1.83 0.00 -3.70 0.36 8.25 -1.26 -4.59 115.22 116.11 1muq n HIS 44 Ca -0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.18 1muq n HIS 44 Cb 0.53 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 1muq n HIS 44 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1muq s ARG 45 N -0.01 0.94 0.19 -0.41 1.70 -1.26 -4.78 118.95 115.32 1muq s ARG 45 Ca 0.00 -0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 54.53 1muq s ARG 45 Cb 0.00 0.41 0.18 0.00 -0.57 0.00 0.00 34.95 34.97 1muq s ARG 45 CO 0.00 -0.33 1.74 -0.92 -1.08 0.00 0.00 175.30 174.71 1muq h TYR 46 N 2.78 0.29 -0.82 5.89 3.20 -2.00 -2.14 116.97 124.17 1muq h TYR 46 Ca -0.33 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.63 1muq h TYR 46 Cb 1.22 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 1muq h TYR 46 CO 0.39 0.08 0.53 0.78 -1.64 0.00 0.00 178.16 178.31 1muq h GLY 47 N 0.34 1.14 1.48 1.82 0.00 -1.99 -1.73 103.07 104.12 1muq h GLY 47 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1muq h GLY 47 CO -0.26 0.28 -0.30 0.83 0.00 0.00 0.00 176.54 177.08 1muq h GLU 48 N 0.91 0.60 -0.34 4.80 5.08 -1.81 -0.08 114.58 123.74 1muq h GLU 48 Ca 0.35 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1muq h GLU 48 Cb 0.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1muq h GLU 48 CO -0.12 0.83 0.09 0.77 -1.00 0.00 0.00 179.01 179.58 1muq h SER 49 N 0.51 0.50 -0.15 1.42 0.02 -1.07 0.24 113.55 115.03 1muq h SER 49 Ca 0.06 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1muq h SER 49 Cb 0.78 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1muq h SER 49 CO 0.06 0.59 0.02 -0.07 -1.14 0.00 0.00 176.83 176.29 1muq h LEU 50 N 0.39 0.24 -0.25 5.07 3.38 -1.26 0.16 115.31 123.04 1muq h LEU 50 Ca 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1muq h LEU 50 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1muq h LEU 50 CO -0.00 0.46 0.15 -0.08 0.09 0.00 0.00 178.44 179.06 1muq h GLU 51 N 0.02 0.34 -0.08 1.13 4.57 -0.94 -0.76 114.58 118.85 1muq h GLU 51 Ca 0.04 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1muq h GLU 51 Cb 0.32 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1muq h GLU 51 CO 0.00 0.26 0.02 0.82 -1.18 0.00 0.00 179.01 178.93 1muq h ILE 52 N 0.32 1.20 -0.73 2.32 1.08 -0.49 -0.29 117.51 120.92 1muq h ILE 52 Ca 0.09 -0.60 0.11 0.00 -0.39 0.00 0.00 64.86 64.07 1muq h ILE 52 Cb 0.00 1.44 -0.08 0.00 -3.07 0.00 0.00 36.82 35.11 1muq h ILE 52 CO -0.02 0.17 0.34 0.00 -0.69 0.00 0.00 178.15 177.95 1muq h ALA 53 N 0.80 1.03 -0.31 1.87 0.00 -0.55 0.21 119.26 122.32 1muq h ALA 53 Ca 0.03 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1muq h ALA 53 Cb 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1muq h ALA 53 CO 0.00 -0.11 -0.47 1.49 0.00 0.00 0.00 179.25 180.16 1muq h GLU 54 N 0.54 0.82 -0.53 0.00 4.81 -1.00 -1.45 114.58 117.77 1muq h GLU 54 Ca 0.38 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1muq h GLU 54 Cb 0.48 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1muq h GLU 54 CO -0.32 1.11 0.25 -0.92 -0.73 0.00 0.00 179.01 178.39 1muq h TYR 55 N 0.65 0.78 -0.37 0.92 -0.00 0.09 -2.41 116.97 116.63 1muq h TYR 55 Ca 0.03 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.73 58.60 1muq h TYR 55 Cb 1.06 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 37.54 1muq h TYR 55 CO 0.06 0.61 -0.26 0.82 -0.00 0.00 0.00 178.16 179.39 1muq h ILE 56 N 0.72 1.27 -0.77 1.81 2.04 -0.56 -0.85 117.51 121.17 1muq h ILE 56 Ca 0.18 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1muq h ILE 56 Cb 0.14 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1muq h ILE 56 CO -0.02 0.46 0.51 0.28 0.00 0.00 0.00 178.15 179.38 1muq h SER 57 N 0.66 0.85 0.48 1.72 0.02 -1.02 -0.90 113.55 115.36 1muq h SER 57 Ca 0.08 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.72 1muq h SER 57 Cb 0.78 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1muq h SER 57 CO 0.06 0.60 -1.54 0.44 -1.14 0.00 0.00 176.83 175.26 1muq h ASP 58 N 1.00 0.32 -0.00 3.07 3.32 -1.20 -3.39 116.42 119.53 1muq h ASP 58 Ca 0.30 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1muq h ASP 58 Cb -0.04 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1muq h ASP 58 CO -0.08 1.39 -0.77 -1.22 -1.72 0.00 0.00 179.24 176.84 1muq n TYR 59 N -3.40 0.00 -2.27 4.55 4.02 -0.34 -4.91 117.16 114.80 1muq n TYR 59 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.31 1muq n TYR 59 Cb 1.04 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.33 1muq n TYR 59 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1muq s HIS 60 N -2.54 2.17 -1.39 -0.72 2.46 -0.35 -4.87 115.29 110.06 1muq s HIS 60 Ca 0.06 0.60 -0.14 0.00 0.47 0.00 0.00 55.06 56.06 1muq s HIS 60 Cb 0.13 -4.29 -0.01 0.00 -0.13 0.00 0.00 32.58 28.28 1muq s HIS 60 CO 0.67 -2.18 2.32 1.63 -2.47 0.00 0.00 174.74 174.72 1muq n LYS 61 N 8.48 2.82 -0.43 2.88 5.02 -1.26 -4.72 118.16 130.94 1muq n LYS 61 Ca 0.16 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 1muq n LYS 61 Cb 0.49 -3.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.37 1muq n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1muq n GLY 62 N 4.04 -0.76 0.00 0.72 0.00 -1.26 -4.96 105.19 102.97 1muq n GLY 62 Ca 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1muq n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1muq n GLN 63 N 0.00 0.00 -1.59 1.61 7.27 -1.26 -5.13 117.38 118.28 1muq n GLN 63 Ca 0.00 -0.05 -0.29 0.00 0.07 0.00 0.00 57.00 56.74 1muq n GLN 63 Cb 0.00 -0.17 0.13 0.00 2.41 0.00 0.00 30.24 32.61 1muq n GLN 63 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1muq s GLU 64 N 0.00 1.24 0.61 3.69 8.01 -1.26 -4.84 118.70 126.15 1muq s GLU 64 Ca 0.00 0.25 -0.08 0.00 0.01 0.00 0.00 54.97 55.15 1muq s GLU 64 Cb 0.00 -1.85 -0.01 0.00 -4.31 0.00 0.00 34.13 27.96 1muq s GLU 64 CO 0.00 -2.12 0.96 -0.80 0.01 0.00 0.00 175.26 173.31 1muq s ASN 65 N -4.12 5.78 -0.17 -0.19 0.01 -1.26 -4.63 114.94 110.36 1muq s ASN 65 Ca 0.64 0.99 -0.00 0.00 -0.71 0.00 0.00 52.86 53.78 1muq s ASN 65 Cb -0.14 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.52 1muq s ASN 65 CO 0.53 -1.02 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.26 1muq s VAL 66 N -3.08 2.61 0.64 1.60 1.01 -0.73 -1.61 120.40 120.83 1muq s VAL 66 Ca 0.54 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1muq s VAL 66 Cb -0.11 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1muq s VAL 66 CO 0.48 0.51 1.19 0.26 0.00 0.00 0.00 175.10 177.55 1muq s TRP 67 N 1.03 2.33 0.22 5.22 0.23 0.42 0.18 118.94 128.57 1muq s TRP 67 Ca -0.01 1.54 -0.00 0.00 -2.03 0.00 0.00 56.10 55.60 1muq s TRP 67 Cb -0.15 -3.44 -0.04 0.00 0.03 0.00 0.00 33.47 29.88 1muq s TRP 67 CO -0.04 -2.25 0.17 0.96 0.96 0.00 0.00 176.95 176.74 1muq s ILE 68 N -1.79 0.00 -2.00 2.03 -4.36 -0.68 -2.76 121.20 111.64 1muq s ILE 68 Ca 0.75 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 1muq s ILE 68 Cb -0.29 -2.49 0.06 0.00 1.25 0.00 0.00 42.46 40.99 1muq s ILE 68 CO 0.37 0.00 0.69 0.61 0.24 0.00 0.00 174.94 176.85 1muq n GLY 69 N -0.33 -0.57 3.71 6.27 0.00 0.88 -4.56 105.19 110.58 1muq n GLY 69 Ca 0.03 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1muq n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1muq s LEU 70 N -1.12 4.25 0.03 0.99 2.96 -1.26 -0.34 118.68 124.18 1muq s LEU 70 Ca 0.03 0.84 -0.13 0.00 -0.22 0.00 0.00 54.13 54.66 1muq s LEU 70 Cb 0.02 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1muq s LEU 70 CO 0.03 -0.07 0.28 -0.60 -1.32 0.00 0.00 176.35 174.66 1muq s ARG 71 N 0.94 0.74 -1.01 1.98 3.52 -0.85 -0.69 118.95 123.58 1muq s ARG 71 Ca 0.27 -0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 55.37 1muq s ARG 71 Cb -0.16 0.32 0.26 0.00 -1.56 0.00 0.00 34.95 33.82 1muq s ARG 71 CO 0.11 -0.22 1.06 -3.47 -0.81 0.00 0.00 175.30 171.96 1muq n ASP 72 N 0.79 5.15 -0.23 -2.12 2.03 0.14 -1.49 116.55 120.81 1muq n ASP 72 Ca -0.19 -3.17 0.04 0.00 0.52 0.00 0.00 54.79 51.98 1muq n ASP 72 Cb 0.58 -1.20 0.14 0.00 -0.72 0.00 0.00 41.12 39.93 1muq n ASP 72 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1muq h LYS 73 N 6.01 0.17 -0.13 -0.67 3.64 -1.84 0.10 116.57 123.85 1muq h LYS 73 Ca 0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1muq h LYS 73 Cb 0.78 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1muq h LYS 73 CO 1.02 0.11 0.00 1.63 -2.27 0.00 0.00 179.45 179.94 1muq n LYS 74 N -5.24 1.44 -3.32 1.90 5.02 -1.26 -4.92 118.16 111.78 1muq n LYS 74 Ca 0.12 -0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 55.52 1muq n LYS 74 Cb 0.42 -1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1muq n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1muq n LYS 75 N -0.06 -3.13 -2.16 1.97 5.02 0.36 -4.83 118.16 115.32 1muq n LYS 75 Ca 0.12 0.43 -0.01 0.00 -2.02 0.00 0.00 58.31 56.83 1muq n LYS 75 Cb 0.20 -5.11 0.05 0.00 -0.02 0.00 0.00 35.03 30.15 1muq n LYS 75 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1muq n ASP 76 N -2.22 1.84 -3.08 4.39 5.75 -1.26 -4.97 116.55 117.01 1muq n ASP 76 Ca -0.01 -2.38 -0.21 0.00 -0.01 0.00 0.00 54.79 52.18 1muq n ASP 76 Cb 0.54 -0.41 0.06 0.00 -1.03 0.00 0.00 41.12 40.28 1muq n ASP 76 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1muq n PHE 77 N -0.33 -2.33 -3.84 2.11 3.01 -1.26 -4.95 117.46 109.87 1muq n PHE 77 Ca 0.12 0.78 -0.30 0.00 1.01 0.00 0.00 57.45 59.07 1muq n PHE 77 Cb 0.92 -4.43 -0.11 0.00 -0.01 0.00 0.00 39.48 35.85 1muq n PHE 77 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1muq s SER 78 N -3.14 5.13 0.07 4.37 1.04 -1.26 -5.07 113.70 114.83 1muq s SER 78 Ca 0.45 -3.84 -0.31 0.00 0.48 0.00 0.00 55.95 52.73 1muq s SER 78 Cb -0.20 -1.70 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 1muq s SER 78 CO 0.56 -0.10 1.20 0.26 0.98 0.00 0.00 173.24 176.14 1muq s TRP 79 N -1.46 3.43 0.00 5.02 0.52 -1.26 -4.32 118.94 120.88 1muq s TRP 79 Ca 0.26 1.30 0.06 0.00 0.02 0.00 0.00 56.10 57.73 1muq s TRP 79 Cb -0.05 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.83 1muq s TRP 79 CO -0.16 -1.30 -0.17 -1.21 0.02 0.00 0.00 176.95 174.13 1muq s GLU 80 N 0.98 1.32 0.23 4.98 2.02 -0.56 -4.80 118.70 122.87 1muq s GLU 80 Ca 0.58 -0.69 -0.24 0.00 0.02 0.00 0.00 54.97 54.65 1muq s GLU 80 Cb -0.30 -1.31 -0.09 0.00 0.10 0.00 0.00 34.13 32.53 1muq s GLU 80 CO 0.30 0.35 0.81 -1.58 0.02 0.00 0.00 175.26 175.16 1muq s TRP 81 N -0.53 3.76 0.24 1.61 0.52 -1.26 -2.01 118.94 121.27 1muq s TRP 81 Ca 0.06 1.60 0.25 0.00 0.02 0.00 0.00 56.10 58.03 1muq s TRP 81 Cb -0.07 -2.77 1.12 0.00 -1.15 0.00 0.00 33.47 30.60 1muq s TRP 81 CO 0.00 0.37 1.91 1.79 0.02 0.00 0.00 176.95 181.04 1muq h THR 82 N 2.91 0.55 -0.09 2.01 1.35 -1.00 -1.34 112.91 117.30 1muq h THR 82 Ca -0.47 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1muq h THR 82 Cb 1.20 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1muq h THR 82 CO 0.66 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.21 1muq n ASP 83 N -3.47 0.52 -0.83 5.36 5.75 -1.26 -4.87 116.55 117.75 1muq n ASP 83 Ca -0.01 -1.93 -0.11 0.00 -0.01 0.00 0.00 54.79 52.74 1muq n ASP 83 Cb 0.36 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 1muq n ASP 83 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1muq n ARG 84 N -0.25 -1.55 -1.74 0.11 1.74 -0.51 -4.98 116.66 109.49 1muq n ARG 84 Ca 0.05 0.86 -0.30 0.00 -0.77 0.00 0.00 57.85 57.70 1muq n ARG 84 Cb 0.09 -5.20 0.08 0.00 -1.02 0.00 0.00 32.46 26.41 1muq n ARG 84 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1muq s SER 85 N -2.45 4.78 0.37 0.55 1.04 -1.26 -4.97 113.70 111.76 1muq s SER 85 Ca 0.00 1.12 -0.26 0.00 0.48 0.00 0.00 55.95 57.29 1muq s SER 85 Cb 0.00 -1.82 -0.09 0.00 0.10 0.00 0.00 66.02 64.21 1muq s SER 85 CO 0.00 -1.77 1.13 0.00 0.98 0.00 0.00 173.24 173.59 1muq n THR 87 N 0.28 4.23 -0.07 0.00 -1.04 -1.26 -4.59 114.28 111.82 1muq n THR 87 Ca 0.03 -4.42 0.07 0.00 -2.04 0.00 0.00 64.05 57.69 1muq n THR 87 Cb 0.47 -2.41 0.16 0.00 -1.82 0.00 0.00 70.33 66.72 1muq n THR 87 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1muq n ASP 88 N 4.97 2.94 -3.67 8.00 3.85 -1.26 -4.93 116.55 126.44 1muq n ASP 88 Ca 0.40 -1.92 -0.09 0.00 -0.71 0.00 0.00 54.79 52.47 1muq n ASP 88 Cb 0.39 -0.23 -0.10 0.00 -1.35 0.00 0.00 41.12 39.84 1muq n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1muq s TYR 89 N -1.02 -0.75 -0.03 2.11 5.04 -1.26 -5.03 117.35 116.41 1muq s TYR 89 Ca 0.26 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.38 1muq s TYR 89 Cb 0.14 0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.78 1muq s TYR 89 CO 0.19 -0.44 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.40 1muq s LEU 90 N 2.20 1.45 -0.52 6.97 1.43 -1.26 -4.84 118.68 124.11 1muq s LEU 90 Ca -0.05 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1muq s LEU 90 Cb -0.11 -0.40 0.26 0.00 0.03 0.00 0.00 46.19 45.97 1muq s LEU 90 CO -0.13 -0.03 0.66 1.07 0.23 0.00 0.00 176.35 178.14 1muq n THR 91 N 3.83 0.97 -2.29 5.49 5.66 -1.26 -5.10 114.28 121.58 1muq n THR 91 Ca -0.24 -4.69 -0.38 0.00 -3.05 0.00 0.00 64.05 55.70 1muq n THR 91 Cb 0.52 -1.94 -0.02 0.00 -1.55 0.00 0.00 70.33 67.34 1muq n THR 91 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1muq s TRP 92 N -1.96 3.01 1.05 1.09 0.52 -1.26 -0.54 118.94 120.86 1muq s TRP 92 Ca 0.38 1.55 -0.16 0.00 0.02 0.00 0.00 56.10 57.89 1muq s TRP 92 Cb 0.17 -3.38 0.22 0.00 -1.15 0.00 0.00 33.47 29.33 1muq s TRP 92 CO -0.06 -1.36 1.16 0.34 0.02 0.00 0.00 176.95 177.04 1muq s ASP 93 N -1.21 2.23 0.18 2.95 2.15 0.17 -4.59 116.67 118.55 1muq s ASP 93 Ca 0.59 0.72 -0.32 0.00 0.43 0.00 0.00 52.55 53.97 1muq s ASP 93 Cb -0.30 -1.07 -0.12 0.00 -0.30 0.00 0.00 42.92 41.13 1muq s ASP 93 CO 0.37 -3.33 1.75 1.17 -0.17 0.00 0.00 175.17 174.96 1muq n LYS 94 N -4.24 2.75 -1.32 4.34 4.81 -1.26 -2.27 118.16 120.97 1muq n LYS 94 Ca 0.11 0.99 -0.11 0.00 -0.87 0.00 0.00 58.31 58.43 1muq n LYS 94 Cb 0.59 -2.85 -0.05 0.00 0.02 0.00 0.00 35.03 32.74 1muq n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1muq n ASN 95 N 4.40 -4.37 -4.39 3.14 5.03 -1.26 -5.02 115.26 112.79 1muq n ASN 95 Ca 0.17 0.27 -0.22 0.00 0.87 0.00 0.00 54.58 55.67 1muq n ASN 95 Cb 0.35 -2.85 -0.11 0.00 -1.02 0.00 0.00 39.78 36.15 1muq n ASN 95 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1muq s GLN 96 N -2.92 1.43 0.63 3.52 -1.52 -0.96 -4.32 119.66 115.52 1muq s GLN 96 Ca 0.00 -1.56 -0.12 0.00 -1.95 0.00 0.00 55.36 51.73 1muq s GLN 96 Cb 0.00 -1.49 -0.03 0.00 -0.22 0.00 0.00 33.01 31.27 1muq s GLN 96 CO 0.00 0.29 1.04 -1.25 -0.25 0.00 0.00 175.29 175.11 1muq s PRO 97 N -3.15 3.43 0.00 2.91 0.04 -1.26 -4.62 135.00 132.35 1muq s PRO 97 Ca 0.22 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1muq s PRO 97 Cb -0.05 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1muq s PRO 97 CO 0.09 -0.70 0.13 -0.40 0.04 0.00 0.00 177.00 176.16 1muq n ASP 98 N -2.69 0.27 -4.09 6.66 5.75 -1.26 -5.00 116.55 116.18 1muq n ASP 98 Ca 0.07 -0.78 -0.33 0.00 -0.01 0.00 0.00 54.79 53.73 1muq n ASP 98 Cb 0.54 0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 1muq n ASP 98 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1muq n HIS 99 N -0.10 -1.89 -1.59 2.11 8.25 -1.26 -4.71 115.22 116.03 1muq n HIS 99 Ca 0.00 0.82 -0.60 0.00 -0.26 0.00 0.00 57.72 57.68 1muq n HIS 99 Cb 0.12 -3.37 -0.08 0.00 1.12 0.00 0.00 29.99 27.77 1muq n HIS 99 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1muq n TYR 100 N -4.47 1.17 -1.44 4.41 -0.00 -1.26 0.13 117.16 115.70 1muq n TYR 100 Ca 0.00 0.98 -0.15 0.00 -0.00 0.00 0.00 57.90 58.73 1muq n TYR 100 Cb 0.53 -2.19 -0.07 0.00 -0.00 0.00 0.00 39.34 37.61 1muq n TYR 100 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1muq n GLN 101 N 2.61 -1.36 -3.82 2.98 6.02 -1.26 -1.71 117.38 120.84 1muq n GLN 101 Ca 0.23 0.91 -0.29 0.00 -0.01 0.00 0.00 57.00 57.84 1muq n GLN 101 Cb 0.07 -5.19 0.02 0.00 1.02 0.00 0.00 30.24 26.15 1muq n GLN 101 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1muq n ASN 102 N -0.76 -4.84 0.00 1.08 2.85 0.35 -4.83 115.26 109.11 1muq n ASN 102 Ca -0.15 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 53.60 1muq n ASN 102 Cb 0.51 -3.87 0.00 0.00 1.24 0.00 0.00 39.78 37.66 1muq n ASN 102 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1muq n LYS 103 N -4.57 2.39 -3.30 1.20 5.02 -0.70 -5.03 118.16 113.17 1muq n LYS 103 Ca 0.03 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 1muq n LYS 103 Cb 0.53 -0.28 -0.09 0.00 -0.02 0.00 0.00 35.03 35.18 1muq n LYS 103 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1muq s GLU 104 N -0.35 3.18 0.00 1.97 2.02 -1.23 -4.25 118.70 120.03 1muq s GLU 104 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1muq s GLU 104 Cb 0.00 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1muq s GLU 104 CO 0.00 -0.83 0.59 1.19 0.02 0.00 0.00 175.26 176.23 1muq n PHE 105 N 5.65 0.00 -4.96 1.61 3.01 -0.92 -4.34 117.46 117.52 1muq n PHE 105 Ca -0.07 -0.15 -0.29 0.00 1.01 0.00 0.00 57.45 57.95 1muq n PHE 105 Cb 0.48 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.78 1muq n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1muq s VAL 107 N -0.72 5.36 0.06 0.00 1.01 0.14 0.15 120.40 126.40 1muq s VAL 107 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1muq s VAL 107 Cb -0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1muq s VAL 107 CO 0.01 0.42 -0.07 -1.83 0.00 0.00 0.00 175.10 173.63 1muq s GLU 108 N -1.63 0.63 -0.09 2.72 -1.05 -0.58 -1.69 118.70 117.01 1muq s GLU 108 Ca 0.23 -0.98 -0.26 0.00 -0.15 0.00 0.00 54.97 53.81 1muq s GLU 108 Cb -0.12 -0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.32 1muq s GLU 108 CO 0.14 0.01 0.82 -0.51 0.95 0.00 0.00 175.26 176.67 1muq s LEU 109 N -2.17 4.27 -0.33 1.83 1.43 0.47 -1.93 118.68 122.26 1muq s LEU 109 Ca -0.02 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.09 1muq s LEU 109 Cb -0.04 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.94 1muq s LEU 109 CO -0.02 -0.27 1.06 -0.69 0.23 0.00 0.00 176.35 176.66 1muq s VAL 110 N 1.42 4.51 0.21 -1.59 1.01 0.08 -1.77 120.40 124.26 1muq s VAL 110 Ca 0.41 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.94 1muq s VAL 110 Cb -0.18 -4.41 0.18 0.00 0.00 0.00 0.00 36.38 31.97 1muq s VAL 110 CO 0.18 -0.50 1.67 -1.28 0.00 0.00 0.00 175.10 175.17 1muq h SER 111 N 8.17 -0.26 0.06 3.32 0.87 -1.88 -0.37 113.55 123.45 1muq h SER 111 Ca -0.21 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1muq h SER 111 Cb 1.06 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1muq h SER 111 CO 1.03 -0.10 -0.00 -0.07 -0.53 0.00 0.00 176.83 177.15 1muq h LEU 112 N 0.12 0.00 -1.80 2.23 3.38 -1.92 0.73 115.31 118.05 1muq h LEU 112 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1muq h LEU 112 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1muq h LEU 112 CO -0.50 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.38 1muq n THR 113 N -3.19 0.50 -1.85 0.22 -2.24 -0.30 -4.88 114.28 102.54 1muq n THR 113 Ca -0.03 -0.61 -0.05 0.00 -2.27 0.00 0.00 64.05 61.10 1muq n THR 113 Cb 0.09 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1muq n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1muq n GLY 114 N 1.33 0.32 2.41 3.38 0.00 0.25 -3.02 105.19 109.86 1muq n GLY 114 Ca 0.18 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1muq n GLY 114 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1muq n TYR 115 N -3.72 -0.66 -0.08 1.61 4.02 -0.34 -4.63 117.16 113.36 1muq n TYR 115 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.76 1muq n TYR 115 Cb 0.44 -3.57 -0.16 0.00 -0.02 0.00 0.00 39.34 36.04 1muq n TYR 115 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1muq n ARG 116 N -2.72 0.68 -4.23 -0.72 1.74 -1.17 -4.20 116.66 106.05 1muq n ARG 116 Ca -0.22 0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.60 1muq n ARG 116 Cb 0.66 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 30.46 1muq n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1muq s LEU 117 N -5.46 3.20 0.25 0.55 1.43 -1.26 -4.93 118.68 112.46 1muq s LEU 117 Ca -0.09 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1muq s LEU 117 Cb 0.07 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1muq s LEU 117 CO 0.84 0.11 0.29 0.26 0.23 0.00 0.00 176.35 178.08 1muq s TRP 118 N -1.65 3.28 -0.10 0.29 0.51 0.30 -0.74 118.94 120.84 1muq s TRP 118 Ca 0.26 -0.07 -0.08 0.00 -2.12 0.00 0.00 56.10 54.09 1muq s TRP 118 Cb -0.09 -1.52 0.03 0.00 -0.81 0.00 0.00 33.47 31.08 1muq s TRP 118 CO 0.17 0.45 0.26 1.21 -0.51 0.00 0.00 176.95 178.53 1muq s ASN 119 N -3.93 -0.27 0.31 2.95 2.47 -0.81 0.42 114.94 116.08 1muq s ASN 119 Ca 0.34 0.53 -0.23 0.00 0.42 0.00 0.00 52.86 53.92 1muq s ASN 119 Cb -0.08 0.51 -0.10 0.00 -1.45 0.00 0.00 41.25 40.13 1muq s ASN 119 CO 0.27 -0.11 0.88 1.51 -3.72 0.00 0.00 177.10 175.94 1muq s ASP 120 N 0.42 7.19 0.15 -4.21 -4.77 -1.26 -1.53 116.67 112.67 1muq s ASP 120 Ca -0.02 1.69 -0.06 0.00 -3.30 0.00 0.00 52.55 50.86 1muq s ASP 120 Cb -0.04 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 39.24 1muq s ASP 120 CO -0.02 -0.09 0.19 -1.58 0.70 0.00 0.00 175.17 174.37 1muq s GLN 121 N -2.23 1.06 0.06 2.11 2.00 0.40 -4.87 119.66 118.18 1muq s GLN 121 Ca 0.50 -1.29 -0.30 0.00 -2.00 0.00 0.00 55.36 52.27 1muq s GLN 121 Cb -0.16 0.32 -0.08 0.00 0.80 0.00 0.00 33.01 33.88 1muq s GLN 121 CO 0.21 -0.36 1.71 0.08 -0.50 0.00 0.00 175.29 176.44 1muq s VAL 122 N -4.00 3.04 0.48 1.34 1.01 -1.26 -2.06 120.40 118.94 1muq s VAL 122 Ca 0.20 0.41 0.40 0.00 0.00 0.00 0.00 61.98 62.99 1muq s VAL 122 Cb 0.05 -3.26 0.42 0.00 0.00 0.00 0.00 36.38 33.59 1muq s VAL 122 CO 0.01 -0.01 2.24 0.00 0.00 0.00 0.00 175.10 177.34 1muq n GLU 124 N -3.12 0.53 -1.91 0.00 -0.58 -1.26 -1.70 120.64 112.60 1muq n GLU 124 Ca -0.02 -0.12 -0.34 0.00 -0.42 0.00 0.00 57.16 56.26 1muq n GLU 124 Cb 0.15 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.56 1muq n GLU 124 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1muq s SER 125 N -2.55 5.23 -0.28 1.62 0.01 -0.46 -4.77 113.70 112.49 1muq s SER 125 Ca 0.27 2.12 -0.10 0.00 1.31 0.00 0.00 55.95 59.56 1muq s SER 125 Cb 0.20 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1muq s SER 125 CO 0.48 -1.55 0.16 -0.54 0.41 0.00 0.00 173.24 172.20 1muq s LYS 126 N -3.75 3.78 0.27 12.44 -0.14 -1.26 -3.90 119.74 127.18 1muq s LYS 126 Ca 0.70 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.90 1muq s LYS 126 Cb -0.23 -3.58 -0.05 0.00 -1.68 0.00 0.00 37.83 32.29 1muq s LYS 126 CO 0.36 -0.23 0.11 -0.51 -0.76 0.00 0.00 175.35 174.32 1muq s ASP 127 N 1.71 1.24 0.80 2.83 1.01 -0.44 -4.79 116.67 119.04 1muq s ASP 127 Ca 0.07 -1.42 -0.11 0.00 0.71 0.00 0.00 52.55 51.80 1muq s ASP 127 Cb -0.16 0.22 0.09 0.00 1.01 0.00 0.00 42.92 44.08 1muq s ASP 127 CO 0.09 -0.77 1.15 0.00 0.21 0.00 0.00 175.17 175.85 1muq s ALA 128 N -3.73 2.76 0.03 5.23 0.00 -0.63 -1.17 121.76 124.24 1muq s ALA 128 Ca 0.37 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1muq s ALA 128 Cb 0.07 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1muq s ALA 128 CO 0.14 -1.68 0.08 -0.59 0.00 0.00 0.00 175.76 173.71 1muq s PHE 129 N -3.52 0.21 -0.32 0.00 -0.71 -0.77 -0.44 117.98 112.43 1muq s PHE 129 Ca 0.63 -0.51 -0.06 0.00 -1.04 0.00 0.00 56.93 55.96 1muq s PHE 129 Cb -0.10 -0.15 0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1muq s PHE 129 CO 0.48 -0.34 0.09 -1.17 -1.34 0.00 0.00 175.22 172.94 1muq s LEU 130 N -2.04 4.16 0.45 -1.99 0.20 -1.11 0.28 118.68 118.63 1muq s LEU 130 Ca -0.06 -1.05 -0.02 0.00 0.69 0.00 0.00 54.13 53.69 1muq s LEU 130 Cb -0.02 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1muq s LEU 130 CO -0.04 -0.29 0.70 0.00 -0.29 0.00 0.00 176.35 176.44 1muq s GLN 132 N -4.60 -0.06 0.17 0.00 0.74 0.13 -1.90 119.66 114.13 1muq s GLN 132 Ca 0.46 0.37 0.06 0.00 0.05 0.00 0.00 55.36 56.30 1muq s GLN 132 Cb -0.10 -0.44 -0.04 0.00 1.10 0.00 0.00 33.01 33.53 1muq s GLN 132 CO 0.41 -0.30 -0.13 0.00 -0.55 0.00 0.00 175.29 174.72 1muq s LYS 134 N -3.57 3.25 0.00 0.00 1.02 -1.20 -1.28 119.74 117.95 1muq s LYS 134 Ca 0.18 -0.56 0.10 0.00 0.02 0.00 0.00 55.97 55.71 1muq s LYS 134 Cb 0.00 -2.73 0.08 0.00 -0.52 0.00 0.00 37.83 34.66 1muq s LYS 134 CO 0.04 0.41 0.80 1.19 -0.92 0.00 0.00 175.35 176.86