#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1muq s PRO 4 N -3.41 2.77 0.43 0.00 0.02 -1.26 -4.90 135.00 128.64 1muq s PRO 4 Ca 0.41 1.39 0.29 0.00 0.02 0.00 0.00 61.00 63.11 1muq s PRO 4 Cb 0.02 -1.95 1.54 0.00 0.02 0.00 0.00 34.50 34.13 1muq s PRO 4 CO 0.28 -1.28 1.89 -0.07 -0.33 0.00 0.00 177.00 177.50 1muq h LEU 5 N -0.02 0.00 -2.39 -5.54 4.07 -2.04 -2.25 115.31 107.15 1muq h LEU 5 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1muq h LEU 5 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1muq h LEU 5 CO 0.54 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.00 1muq n ASP 6 N -2.54 3.53 -4.76 -0.43 5.75 -1.26 -4.93 116.55 111.91 1muq n ASP 6 Ca -0.01 -1.99 -0.24 0.00 -0.01 0.00 0.00 54.79 52.54 1muq n ASP 6 Cb 0.08 -0.32 -0.06 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 -1.35 3.01 -0.37 2.11 0.52 -0.85 -4.90 118.94 117.11 1muq s TRP 7 Ca 0.42 -0.10 -0.18 0.00 0.02 0.00 0.00 56.10 56.25 1muq s TRP 7 Cb 0.23 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 31.16 1muq s TRP 7 CO 0.32 0.54 0.53 -1.17 0.02 0.00 0.00 176.95 177.18 1muq s LEU 8 N -3.42 4.43 0.14 2.99 2.96 0.98 -4.83 118.68 121.93 1muq s LEU 8 Ca 0.31 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 1muq s LEU 8 Cb -0.09 -2.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 1muq s LEU 8 CO 0.22 -0.54 1.05 -2.84 -1.32 0.00 0.00 176.35 172.92 1muq s PRO 9 N 2.44 4.62 -0.30 0.98 0.02 -1.26 -0.59 135.00 140.91 1muq s PRO 9 Ca 0.19 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 62.76 1muq s PRO 9 Cb -0.15 -3.33 0.17 0.00 0.02 0.00 0.00 34.50 31.21 1muq s PRO 9 CO 0.14 0.10 0.66 1.41 -0.33 0.00 0.00 177.00 178.99 1muq s MET 10 N -0.06 0.53 -1.30 5.54 1.75 0.71 -4.97 119.30 121.51 1muq s MET 10 Ca 0.49 1.09 -0.13 0.00 -1.25 0.00 0.00 55.69 55.89 1muq s MET 10 Cb -0.27 0.63 0.01 0.00 2.84 0.00 0.00 34.83 38.03 1muq s MET 10 CO 0.32 -0.44 0.54 0.09 -0.65 0.00 0.00 175.02 174.88 1muq n ASN 11 N 5.42 -2.44 0.00 1.11 3.02 -1.26 -1.69 115.26 119.42 1muq n ASN 11 Ca -0.05 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1muq n ASN 11 Cb 0.51 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 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 -1.98 2.97 3.83 7.41 0.00 -1.26 -5.01 105.19 111.15 1muq n GLY 12 Ca -0.21 0.00 -0.24 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 3.06 -0.02 0.99 1.43 -0.68 -4.87 118.68 118.59 1muq s LEU 13 Ca 0.00 -1.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 1muq s LEU 13 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1muq s LEU 13 CO 0.00 -0.75 -0.18 0.00 0.23 0.00 0.00 176.35 175.65 1muq s TYR 15 N -0.36 1.92 -0.29 0.00 1.51 0.25 -0.53 117.35 119.85 1muq s TYR 15 Ca 0.05 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.50 1muq s TYR 15 Cb -0.08 -0.92 0.13 0.00 -0.11 0.00 0.00 41.96 40.98 1muq s TYR 15 CO -0.00 0.42 0.87 0.21 -1.11 0.00 0.00 175.55 175.93 1muq s LYS 16 N -3.09 0.48 0.06 -0.62 2.20 -0.78 -0.01 119.74 117.99 1muq s LYS 16 Ca 0.20 0.90 -0.23 0.00 -0.36 0.00 0.00 55.97 56.48 1muq s LYS 16 Cb -0.05 0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.43 1muq s LYS 16 CO 0.08 -0.11 0.71 0.96 -0.36 0.00 0.00 175.35 176.63 1muq s ILE 17 N 1.71 4.69 -0.05 5.43 -5.25 -1.26 -0.98 121.20 125.50 1muq s ILE 17 Ca -0.08 1.51 0.01 0.00 -0.99 0.00 0.00 60.65 61.10 1muq s ILE 17 Cb -0.05 -4.05 -0.03 0.00 2.95 0.00 0.00 42.46 41.27 1muq s ILE 17 CO -0.17 0.43 -0.04 -0.36 -1.79 0.00 0.00 174.94 173.02 1muq s PHE 18 N -0.44 3.02 -2.47 1.37 0.40 0.11 -4.98 117.98 115.00 1muq s PHE 18 Ca 0.35 0.07 0.27 0.00 -0.60 0.00 0.00 56.93 57.02 1muq s PHE 18 Cb -0.20 -1.71 0.78 0.00 0.51 0.00 0.00 43.02 42.40 1muq s PHE 18 CO 0.22 0.40 1.59 0.09 0.70 0.00 0.00 175.22 178.22 1muq n ASN 19 N 1.93 1.75 -4.66 1.36 3.02 -1.26 -2.64 115.26 114.76 1muq n ASN 19 Ca -0.17 -1.51 -0.43 0.00 -0.03 0.00 0.00 54.58 52.44 1muq n ASN 19 Cb 0.53 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 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 -2.10 4.24 0.17 3.52 -0.21 -1.26 -4.84 119.66 119.19 1muq s GLN 20 Ca 0.33 1.59 -0.30 0.00 0.02 0.00 0.00 55.36 57.00 1muq s GLN 20 Cb 0.20 -3.73 -0.08 0.00 1.00 0.00 0.00 33.01 30.40 1muq s GLN 20 CO 0.37 -0.69 1.18 -0.51 -2.12 0.00 0.00 175.29 173.52 1muq s LEU 21 N 3.41 4.45 0.08 2.90 1.43 -1.26 -4.51 118.68 125.18 1muq s LEU 21 Ca 0.52 2.18 -0.17 0.00 -1.03 0.00 0.00 54.13 55.63 1muq s LEU 21 Cb -0.20 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.45 1muq s LEU 21 CO 0.13 -0.35 0.41 -0.54 0.23 0.00 0.00 176.35 176.23 1muq s LYS 22 N -0.14 0.99 0.94 1.70 1.02 0.03 -4.86 119.74 119.41 1muq s LYS 22 Ca 0.53 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 1muq s LYS 22 Cb -0.32 0.44 0.15 0.00 -0.52 0.00 0.00 37.83 37.58 1muq s LYS 22 CO 0.35 -0.36 1.10 0.95 -0.92 0.00 0.00 175.35 176.47 1muq s THR 23 N -3.06 2.35 0.19 2.17 -4.23 -1.24 -2.44 115.64 109.38 1muq s THR 23 Ca -0.02 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1muq s THR 23 Cb 0.00 -2.66 0.10 0.00 1.34 0.00 0.00 72.50 71.28 1muq s THR 23 CO -0.07 -0.15 1.79 -0.25 -0.54 0.00 0.00 174.62 175.40 1muq h TRP 24 N -1.66 0.52 -0.47 3.99 7.01 -0.96 -0.37 115.95 124.01 1muq h TRP 24 Ca -0.52 0.02 0.08 0.00 2.11 0.00 0.00 58.89 60.58 1muq h TRP 24 Cb 1.31 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 28.15 1muq h TRP 24 CO 0.35 0.25 0.10 1.49 -2.79 0.00 0.00 178.44 177.84 1muq h GLU 25 N 0.54 0.23 -0.04 2.65 4.81 -1.91 -1.11 114.58 119.76 1muq h GLU 25 Ca 0.25 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 1muq h GLU 25 Cb 0.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1muq h GLU 25 CO -0.17 0.15 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.22 1muq h ASP 26 N 0.24 0.14 -0.35 1.04 3.32 -1.80 -2.36 116.42 116.65 1muq h ASP 26 Ca 0.23 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1muq h ASP 26 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1muq h ASP 26 CO -0.30 0.70 0.11 0.00 -1.72 0.00 0.00 179.24 178.04 1muq h ALA 27 N 1.30 0.46 -0.38 3.45 0.00 -0.38 0.60 119.26 124.31 1muq h ALA 27 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1muq h ALA 27 Cb 1.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1muq h ALA 27 CO 0.09 0.10 0.23 1.49 0.00 0.00 0.00 179.25 181.16 1muq h GLU 28 N 0.41 0.50 -0.08 0.00 4.22 -1.13 -1.39 114.58 117.11 1muq h GLU 28 Ca 0.11 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.45 1muq h GLU 28 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1muq h GLU 28 CO -0.00 0.36 -0.22 0.52 -2.18 0.00 0.00 179.01 177.49 1muq h MET 29 N 0.50 0.14 -0.02 1.92 2.86 -1.20 -0.09 114.93 119.04 1muq h MET 29 Ca 0.14 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1muq h MET 29 Cb -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1muq h MET 29 CO -0.03 0.36 -0.06 0.35 1.06 0.00 0.00 176.91 178.59 1muq h PHE 30 N 0.13 0.11 -0.72 -0.22 3.04 -0.51 -0.68 116.94 118.09 1muq h PHE 30 Ca 0.02 -0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.98 1muq h PHE 30 Cb 0.47 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.91 1muq h PHE 30 CO 0.00 0.67 0.43 0.00 -2.02 0.00 0.00 178.31 177.39 1muq h ARG 32 N 0.82 0.70 -0.14 0.00 2.47 -0.99 -2.64 114.38 114.60 1muq h ARG 32 Ca 0.31 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1muq h ARG 32 Cb 0.11 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1muq h ARG 32 CO -0.15 0.71 0.00 1.63 0.56 0.00 0.00 179.97 182.72 1muq n LYS 33 N -4.24 1.88 0.09 0.04 4.76 -0.26 -4.22 118.16 116.20 1muq n LYS 33 Ca 0.02 -1.30 -0.10 0.00 -2.87 0.00 0.00 58.31 54.06 1muq n LYS 33 Cb 0.27 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 31.95 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 2.81 -0.28 -2.46 2.13 5.03 -0.19 -3.47 116.97 120.53 1muq h TYR 34 Ca 0.00 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1muq h TYR 34 Cb 0.61 0.09 -0.20 0.00 1.55 0.00 0.00 36.73 38.78 1muq h TYR 34 CO 0.08 0.09 -0.04 -1.59 -1.32 0.00 0.00 178.16 175.39 1muq s LYS 35 N -3.52 0.82 0.21 1.82 -2.85 -1.26 -5.11 119.74 109.85 1muq s LYS 35 Ca -0.12 0.23 -0.32 0.00 -1.00 0.00 0.00 55.97 54.77 1muq s LYS 35 Cb 0.01 0.38 -0.12 0.00 -2.06 0.00 0.00 37.83 36.04 1muq s LYS 35 CO 0.43 -0.21 1.71 -1.25 0.10 0.00 0.00 175.35 176.13 1muq s PRO 36 N -0.86 4.12 0.00 1.78 0.04 -1.26 -3.01 135.00 135.82 1muq s PRO 36 Ca -0.09 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1muq s PRO 36 Cb -0.03 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1muq s PRO 36 CO 0.06 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1muq n GLY 37 N 3.87 1.09 3.60 0.56 0.00 -1.26 -4.80 105.19 108.25 1muq n GLY 37 Ca 0.15 0.00 -0.27 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 -1.62 0.64 0.46 0.00 3.76 -0.15 -3.47 115.29 114.90 1muq s HIS 39 Ca 0.25 -1.10 -0.23 0.00 -0.15 0.00 0.00 55.06 53.83 1muq s HIS 39 Cb -0.09 0.37 -0.07 0.00 1.11 0.00 0.00 32.58 33.90 1muq s HIS 39 CO 0.16 -1.38 1.16 -0.51 -0.85 0.00 0.00 174.74 173.32 1muq s LEU 40 N -3.17 4.02 0.69 0.89 1.43 -1.26 0.22 118.68 121.50 1muq s LEU 40 Ca 0.23 2.29 -0.16 0.00 -1.03 0.00 0.00 54.13 55.46 1muq s LEU 40 Cb -0.03 -4.24 0.02 0.00 0.03 0.00 0.00 46.19 41.97 1muq s LEU 40 CO 0.17 -0.89 1.24 0.00 0.23 0.00 0.00 176.35 177.09 1muq s ALA 41 N -1.55 2.24 0.03 4.21 0.00 0.37 -3.76 121.76 123.30 1muq s ALA 41 Ca 0.63 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.67 1muq s ALA 41 Cb -0.28 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1muq s ALA 41 CO 0.34 -1.73 -0.18 -1.54 0.00 0.00 0.00 175.76 172.65 1muq s SER 42 N -1.75 2.18 0.10 0.00 1.04 -1.26 0.13 113.70 114.14 1muq s SER 42 Ca 0.78 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.82 1muq s SER 42 Cb -0.32 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 1muq s SER 42 CO 0.42 0.15 -0.09 -0.36 0.98 0.00 0.00 173.24 174.34 1muq s PHE 43 N -0.71 2.77 0.00 5.02 0.40 -1.26 -5.03 117.98 119.16 1muq s PHE 43 Ca 0.06 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1muq s PHE 43 Cb -0.08 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1muq s PHE 43 CO 0.01 0.43 0.22 0.72 0.70 0.00 0.00 175.22 177.30 1muq n HIS 44 N 0.71 0.00 -3.57 0.36 8.25 -1.26 -4.64 115.22 115.08 1muq n HIS 44 Ca -0.13 -0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 1muq n HIS 44 Cb 0.52 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 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 0.91 0.35 -0.41 1.70 -1.26 -4.70 118.95 115.52 1muq s ARG 45 Ca 0.00 0.50 0.11 0.00 -0.47 0.00 0.00 55.73 55.87 1muq s ARG 45 Cb 0.00 0.43 0.87 0.00 -0.57 0.00 0.00 34.95 35.69 1muq s ARG 45 CO 0.00 -0.23 1.82 -0.92 -1.08 0.00 0.00 175.30 174.89 1muq h TYR 46 N 3.65 0.85 -0.35 5.89 3.20 -2.00 -1.75 116.97 126.46 1muq h TYR 46 Ca -0.27 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.70 1muq h TYR 46 Cb 1.15 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.10 1muq h TYR 46 CO 0.37 0.22 -0.08 0.78 -1.64 0.00 0.00 178.16 177.81 1muq h GLY 47 N 0.63 0.26 1.00 1.82 0.00 -2.01 -2.28 103.07 102.50 1muq h GLY 47 Ca 0.52 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.98 1muq h GLY 47 CO -0.28 -0.13 0.67 0.83 0.00 0.00 0.00 176.54 177.63 1muq h GLU 48 N 0.00 1.32 -0.51 4.80 5.08 -1.74 -2.10 114.58 121.43 1muq h GLU 48 Ca 0.17 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1muq h GLU 48 Cb 0.25 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1muq h GLU 48 CO -0.36 0.87 0.22 0.77 -1.00 0.00 0.00 179.01 179.52 1muq h SER 49 N 1.36 0.27 -0.29 1.42 0.02 -1.32 0.32 113.55 115.32 1muq h SER 49 Ca 0.37 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1muq h SER 49 Cb -0.15 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1muq h SER 49 CO -0.08 0.18 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.70 1muq h LEU 50 N 0.42 0.52 -0.50 5.07 3.38 -1.29 0.13 115.31 123.04 1muq h LEU 50 Ca 0.24 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1muq h LEU 50 Cb 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1muq h LEU 50 CO -0.21 0.72 0.32 -0.08 0.09 0.00 0.00 178.44 179.28 1muq h GLU 51 N 0.30 0.66 -0.27 1.13 4.57 -0.86 0.68 114.58 120.79 1muq h GLU 51 Ca 0.08 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1muq h GLU 51 Cb 0.47 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1muq h GLU 51 CO 0.02 0.45 -0.14 0.82 -1.18 0.00 0.00 179.01 178.98 1muq h ILE 52 N 0.67 1.30 -0.22 2.32 1.08 -0.32 -0.77 117.51 121.57 1muq h ILE 52 Ca 0.18 -1.24 0.04 0.00 -0.39 0.00 0.00 64.86 63.45 1muq h ILE 52 Cb -0.06 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1muq h ILE 52 CO -0.04 0.39 -0.00 0.00 -0.69 0.00 0.00 178.15 177.81 1muq h ALA 53 N 0.74 0.19 -0.70 1.87 0.00 -0.49 0.36 119.26 121.22 1muq h ALA 53 Ca 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1muq h ALA 53 Cb 0.66 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1muq h ALA 53 CO 0.04 -0.43 0.31 1.49 0.00 0.00 0.00 179.25 180.66 1muq h GLU 54 N 0.06 1.02 -0.31 0.00 4.81 -0.82 0.26 114.58 119.60 1muq h GLU 54 Ca 0.11 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1muq h GLU 54 Cb 0.14 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1muq h GLU 54 CO -0.18 0.82 0.08 -0.92 -0.73 0.00 0.00 179.01 178.08 1muq h TYR 55 N 0.98 0.51 -0.09 0.92 5.03 -0.45 -1.13 116.97 122.74 1muq h TYR 55 Ca 0.24 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 1muq h TYR 55 Cb 0.16 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 1muq h TYR 55 CO 0.01 0.54 0.05 0.82 -1.32 0.00 0.00 178.16 178.26 1muq h ILE 56 N 0.34 1.07 -0.99 1.81 2.04 -0.09 0.19 117.51 121.89 1muq h ILE 56 Ca 0.10 -0.21 0.16 0.00 1.00 0.00 0.00 64.86 65.91 1muq h ILE 56 Cb 0.28 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 1muq h ILE 56 CO -0.00 0.07 0.62 0.28 0.00 0.00 0.00 178.15 179.11 1muq h SER 57 N 0.06 0.82 0.26 1.72 0.02 -0.80 0.63 113.55 116.26 1muq h SER 57 Ca 0.03 0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.78 1muq h SER 57 Cb 0.06 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.54 1muq h SER 57 CO -0.01 0.36 -1.14 0.44 -1.14 0.00 0.00 176.83 175.34 1muq h ASP 58 N 0.84 0.72 0.00 3.07 3.32 -0.53 -3.39 116.42 120.44 1muq h ASP 58 Ca 0.53 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1muq h ASP 58 Cb 0.74 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1muq h ASP 58 CO -0.31 1.46 -0.68 -1.22 -1.72 0.00 0.00 179.24 176.76 1muq n TYR 59 N -3.74 0.00 -2.01 4.55 4.02 0.61 -4.95 117.16 115.63 1muq n TYR 59 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.36 1muq n TYR 59 Cb 0.94 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 40.19 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 -2.17 1.83 -1.52 -0.72 2.46 0.22 -4.85 115.29 110.53 1muq s HIS 60 Ca 0.03 0.63 -0.12 0.00 0.47 0.00 0.00 55.06 56.07 1muq s HIS 60 Cb 0.08 -4.14 -0.04 0.00 -0.13 0.00 0.00 32.58 28.36 1muq s HIS 60 CO 0.46 -2.90 2.61 1.63 -2.47 0.00 0.00 174.74 174.07 1muq n LYS 61 N 8.42 3.26 -0.90 2.88 5.02 -1.26 -4.77 118.16 130.81 1muq n LYS 61 Ca 0.23 -2.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1muq n LYS 61 Cb 0.47 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 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 3.82 0.64 0.00 0.72 0.00 -1.26 -4.95 105.19 104.16 1muq n GLY 62 Ca 0.66 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.83 -1.59 1.61 7.27 -1.26 -5.10 117.38 119.14 1muq n GLN 63 Ca 0.00 -0.01 -0.32 0.00 0.07 0.00 0.00 57.00 56.74 1muq n GLN 63 Cb 0.00 -0.12 0.06 0.00 2.41 0.00 0.00 30.24 32.58 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 -0.12 2.70 1.25 3.69 8.01 -1.26 -4.82 118.70 128.14 1muq s GLU 64 Ca 0.00 1.21 -0.19 0.00 0.01 0.00 0.00 54.97 56.00 1muq s GLU 64 Cb 0.00 -1.95 0.30 0.00 -4.31 0.00 0.00 34.13 28.17 1muq s GLU 64 CO 0.00 -1.31 1.05 -0.80 0.01 0.00 0.00 175.26 174.21 1muq s ASN 65 N -3.10 0.48 -0.03 -0.19 0.01 -1.26 -4.74 114.94 106.11 1muq s ASN 65 Ca 0.63 0.84 0.01 0.00 -0.71 0.00 0.00 52.86 53.63 1muq s ASN 65 Cb -0.18 -1.22 0.02 0.00 0.41 0.00 0.00 41.25 40.28 1muq s ASN 65 CO 0.48 -4.41 -0.03 -0.69 -1.51 0.00 0.00 177.10 170.94 1muq s VAL 66 N -2.73 0.35 0.35 1.60 1.01 -1.14 -1.75 120.40 118.09 1muq s VAL 66 Ca 0.69 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 1muq s VAL 66 Cb -0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1muq s VAL 66 CO 0.58 0.16 1.14 0.26 0.00 0.00 0.00 175.10 177.24 1muq s TRP 67 N 0.69 3.28 0.36 5.22 0.23 0.11 -0.26 118.94 128.57 1muq s TRP 67 Ca -0.08 1.60 0.04 0.00 -2.03 0.00 0.00 56.10 55.64 1muq s TRP 67 Cb -0.11 -3.35 -0.06 0.00 0.03 0.00 0.00 33.47 29.97 1muq s TRP 67 CO -0.01 -1.01 0.05 0.96 0.96 0.00 0.00 176.95 177.90 1muq s ILE 68 N -1.32 1.32 0.00 2.03 -4.36 -1.19 -1.54 121.20 116.14 1muq s ILE 68 Ca 0.52 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1muq s ILE 68 Cb -0.31 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1muq s ILE 68 CO 0.40 0.00 1.30 0.61 0.24 0.00 0.00 174.94 177.48 1muq n GLY 69 N -0.79 1.95 3.11 6.27 0.00 0.36 -4.75 105.19 111.34 1muq n GLY 69 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.32 -0.02 0.99 2.96 -1.26 -1.77 118.68 123.90 1muq s LEU 70 Ca 0.00 -1.67 0.04 0.00 -0.22 0.00 0.00 54.13 52.28 1muq s LEU 70 Cb 0.00 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1muq s LEU 70 CO 0.00 -0.34 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.97 1muq s ARG 71 N 1.12 1.13 -1.16 1.98 3.00 -1.17 -0.28 118.95 123.57 1muq s ARG 71 Ca 0.01 -0.44 -0.15 0.00 -1.00 0.00 0.00 55.73 54.14 1muq s ARG 71 Cb -0.20 -1.06 0.15 0.00 0.00 0.00 0.00 34.95 33.83 1muq s ARG 71 CO -0.04 0.23 1.40 0.34 0.00 0.00 0.00 175.30 177.23 1muq s ASP 72 N -0.13 6.95 0.10 -2.12 2.15 0.71 -3.01 116.67 121.32 1muq s ASP 72 Ca 0.02 -2.73 -0.34 0.00 0.43 0.00 0.00 52.55 49.92 1muq s ASP 72 Cb -0.07 -2.42 -0.15 0.00 -0.30 0.00 0.00 42.92 39.98 1muq s ASP 72 CO 0.00 -0.86 1.55 0.50 -0.17 0.00 0.00 175.17 176.19 1muq h LYS 73 N 7.57 -0.74 -1.13 4.34 3.64 -1.83 -2.79 116.57 125.63 1muq h LYS 73 Ca 0.30 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1muq h LYS 73 Cb 0.90 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1muq h LYS 73 CO 1.24 -0.50 0.06 1.63 -2.27 0.00 0.00 179.45 179.62 1muq n LYS 74 N -5.43 1.12 -1.96 1.90 5.02 -1.26 -4.93 118.16 112.61 1muq n LYS 74 Ca -0.09 -0.27 -0.14 0.00 -2.02 0.00 0.00 58.31 55.79 1muq n LYS 74 Cb 0.41 -1.11 0.01 0.00 -0.02 0.00 0.00 35.03 34.33 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 0.48 -0.69 0.00 1.97 5.02 -1.05 -4.88 118.16 119.02 1muq n LYS 75 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1muq n LYS 75 Cb 0.59 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 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 0.65 0.00 -2.57 4.39 5.75 -1.26 -4.98 116.55 118.52 1muq n ASP 76 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.61 1muq n ASP 76 Cb 0.27 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.00 -1.72 -3.67 2.11 3.01 -1.26 -4.98 117.46 110.95 1muq n PHE 77 Ca 0.00 0.65 -0.27 0.00 1.01 0.00 0.00 57.45 58.84 1muq n PHE 77 Cb 0.00 -3.83 -0.11 0.00 -0.01 0.00 0.00 39.48 35.54 1muq n PHE 77 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1muq n SER 78 N -1.87 2.39 -4.83 4.37 3.41 -1.26 -5.10 113.62 110.72 1muq n SER 78 Ca -0.08 -3.08 -0.34 0.00 -0.26 0.00 0.00 58.87 55.11 1muq n SER 78 Cb 0.57 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1muq n SER 78 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1muq s TRP 79 N -1.40 3.53 0.02 7.33 0.52 -1.26 -3.94 118.94 123.74 1muq s TRP 79 Ca 0.30 1.27 -0.01 0.00 0.02 0.00 0.00 56.10 57.68 1muq s TRP 79 Cb 0.03 -2.55 -0.02 0.00 -1.15 0.00 0.00 33.47 29.78 1muq s TRP 79 CO -0.14 0.25 -0.01 -1.21 0.02 0.00 0.00 176.95 175.86 1muq s GLU 80 N -2.40 0.38 -0.16 4.98 2.02 -1.16 -4.65 118.70 117.70 1muq s GLU 80 Ca 0.47 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.57 1muq s GLU 80 Cb -0.14 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.20 1muq s GLU 80 CO 0.19 -0.07 0.58 -1.58 0.02 0.00 0.00 175.26 174.40 1muq s TRP 81 N -1.86 3.43 0.66 1.61 0.52 -1.26 -3.06 118.94 118.98 1muq s TRP 81 Ca -0.12 0.92 0.35 0.00 0.02 0.00 0.00 56.10 57.27 1muq s TRP 81 Cb -0.07 -2.72 1.91 0.00 -1.15 0.00 0.00 33.47 31.45 1muq s TRP 81 CO -0.02 -0.05 2.08 1.79 0.02 0.00 0.00 176.95 180.77 1muq h THR 82 N 5.02 0.02 -0.25 2.01 1.35 -1.67 0.44 112.91 119.83 1muq h THR 82 Ca -0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 1muq h THR 82 Cb 1.16 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1muq h THR 82 CO 0.76 0.00 0.03 -0.90 -0.25 0.00 0.00 175.52 175.16 1muq n ASP 83 N -2.99 2.94 -3.94 5.36 5.75 -1.26 -4.91 116.55 117.50 1muq n ASP 83 Ca -0.02 -2.40 -0.38 0.00 -0.01 0.00 0.00 54.79 51.98 1muq n ASP 83 Cb 0.27 -0.58 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 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 0.20 -0.98 -3.56 0.11 1.74 0.15 -4.96 116.66 109.36 1muq n ARG 84 Ca 0.13 0.25 -0.28 0.00 -0.77 0.00 0.00 57.85 57.17 1muq n ARG 84 Cb 0.67 -3.41 -0.12 0.00 -1.02 0.00 0.00 32.46 28.58 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 -3.66 2.83 0.00 0.55 1.04 -1.25 -5.04 113.70 108.17 1muq s SER 85 Ca 0.40 -2.84 0.00 0.00 0.48 0.00 0.00 55.95 53.99 1muq s SER 85 Cb -0.18 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.20 1muq s SER 85 CO 0.92 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.93 1muq s THR 87 N 0.00 3.18 -0.05 0.00 2.01 -1.26 -4.76 115.64 114.77 1muq s THR 87 Ca 0.00 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1muq s THR 87 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1muq s THR 87 CO 0.00 -0.32 0.84 -0.90 -0.69 0.00 0.00 174.62 173.55 1muq n ASP 88 N 13.31 1.69 -3.78 3.53 3.85 -1.26 -5.01 116.55 128.88 1muq n ASP 88 Ca 0.29 -1.65 -0.13 0.00 -0.71 0.00 0.00 54.79 52.59 1muq n ASP 88 Cb 0.51 -0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.16 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 -0.66 -0.30 -0.29 2.11 5.04 -1.26 -4.96 117.35 117.02 1muq s TYR 89 Ca 0.01 0.73 0.03 0.00 -2.44 0.00 0.00 57.07 55.40 1muq s TYR 89 Cb 0.00 0.10 0.18 0.00 0.35 0.00 0.00 41.96 42.60 1muq s TYR 89 CO 0.01 -0.16 0.54 -0.51 -1.34 0.00 0.00 175.55 174.09 1muq s LEU 90 N 0.08 -1.33 -0.94 6.97 1.43 -1.26 -4.94 118.68 118.70 1muq s LEU 90 Ca -0.01 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1muq s LEU 90 Cb -0.02 1.80 0.31 0.00 0.03 0.00 0.00 46.19 48.32 1muq s LEU 90 CO 0.01 -0.30 1.51 1.07 0.23 0.00 0.00 176.35 178.86 1muq n THR 91 N 5.40 5.12 -1.87 5.49 5.66 -1.26 -5.05 114.28 127.78 1muq n THR 91 Ca 0.02 -5.85 -0.41 0.00 -3.05 0.00 0.00 64.05 54.76 1muq n THR 91 Cb 0.52 -1.71 -0.01 0.00 -1.55 0.00 0.00 70.33 67.59 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 -3.65 2.70 0.78 1.09 0.52 -1.26 -2.96 118.94 116.16 1muq s TRP 92 Ca 0.39 1.20 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 1muq s TRP 92 Cb 0.16 -3.95 0.06 0.00 -1.15 0.00 0.00 33.47 28.59 1muq s TRP 92 CO -0.06 -2.78 1.09 0.34 0.02 0.00 0.00 176.95 175.56 1muq s ASP 93 N -0.17 4.50 0.04 2.95 2.15 -0.85 -4.77 116.67 120.51 1muq s ASP 93 Ca 0.53 1.69 -0.36 0.00 0.43 0.00 0.00 52.55 54.83 1muq s ASP 93 Cb -0.45 -2.42 -0.15 0.00 -0.30 0.00 0.00 42.92 39.59 1muq s ASP 93 CO 0.60 -2.02 1.50 1.17 -0.17 0.00 0.00 175.17 176.25 1muq n LYS 94 N -3.50 1.49 -2.40 4.34 4.81 -1.26 -1.14 118.16 120.49 1muq n LYS 94 Ca 0.08 0.54 -0.16 0.00 -0.87 0.00 0.00 58.31 57.90 1muq n LYS 94 Cb 0.54 -2.24 -0.00 0.00 0.02 0.00 0.00 35.03 33.35 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 3.51 -4.85 -4.07 3.14 5.03 -1.26 -5.02 115.26 111.74 1muq n ASN 95 Ca 0.20 -0.05 -0.16 0.00 0.87 0.00 0.00 54.58 55.43 1muq n ASN 95 Cb 0.21 -3.92 -0.13 0.00 -1.02 0.00 0.00 39.78 34.93 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 -4.91 0.65 0.00 3.52 -1.52 -0.29 -4.69 119.66 112.42 1muq s GLN 96 Ca 0.04 -0.65 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1muq s GLN 96 Cb -0.02 -0.55 0.00 0.00 -0.22 0.00 0.00 33.01 32.22 1muq s GLN 96 CO 0.05 0.13 0.00 -0.35 -0.25 0.00 0.00 175.29 174.87 1muq n PRO 97 N 1.91 0.93 0.00 2.91 -0.04 -1.26 -4.46 135.00 134.99 1muq n PRO 97 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1muq n PRO 97 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1muq n PRO 97 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1muq n ASP 98 N -0.19 0.00 -4.15 3.54 5.68 -1.26 -5.00 116.55 115.16 1muq n ASP 98 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 1muq n ASP 98 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1muq n ASP 98 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1muq n HIS 99 N 0.00 -1.38 -1.41 2.11 8.25 -1.26 -4.65 115.22 116.88 1muq n HIS 99 Ca 0.00 0.35 -0.50 0.00 -0.26 0.00 0.00 57.72 57.31 1muq n HIS 99 Cb 0.00 -2.89 -0.09 0.00 1.12 0.00 0.00 29.99 28.13 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 -4.79 1.33 -1.11 4.41 -0.00 -1.26 0.11 117.16 115.86 1muq n TYR 100 Ca -0.21 0.40 -0.04 0.00 -0.00 0.00 0.00 57.90 58.05 1muq n TYR 100 Cb 0.63 -2.46 -0.02 0.00 -0.00 0.00 0.00 39.34 37.49 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 8.13 -0.35 -2.47 2.98 6.02 -1.26 -3.38 117.38 127.05 1muq n GLN 101 Ca 0.48 0.56 -0.21 0.00 -0.01 0.00 0.00 57.00 57.82 1muq n GLN 101 Cb 0.16 -4.19 -0.00 0.00 1.02 0.00 0.00 30.24 27.23 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 0.97 -5.86 -2.69 1.08 2.85 0.31 -4.90 115.26 107.02 1muq n ASN 102 Ca -0.04 -0.06 -0.09 0.00 -0.11 0.00 0.00 54.58 54.29 1muq n ASN 102 Cb 0.14 -4.84 0.04 0.00 1.24 0.00 0.00 39.78 36.36 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 -3.10 1.14 -3.37 1.20 5.02 -1.22 -5.05 118.16 112.78 1muq n LYS 103 Ca -0.23 -3.10 -0.03 0.00 -2.02 0.00 0.00 58.31 52.93 1muq n LYS 103 Cb 0.68 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.50 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 -2.73 0.45 0.00 1.97 2.02 -1.26 -4.11 118.70 115.04 1muq s GLU 104 Ca 0.27 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.16 1muq s GLU 104 Cb 0.45 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.87 1muq s GLU 104 CO 0.02 -0.51 0.90 1.19 0.02 0.00 0.00 175.26 176.89 1muq n PHE 105 N 5.40 0.00 -3.95 1.61 3.01 -0.20 -4.26 117.46 119.07 1muq n PHE 105 Ca -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 1muq n PHE 105 Cb 0.50 -0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.81 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 1.44 2.21 0.09 0.00 1.01 0.61 -0.96 120.40 124.80 1muq s VAL 107 Ca -0.02 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1muq s VAL 107 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1muq s VAL 107 CO -0.07 0.05 -0.08 -1.83 0.00 0.00 0.00 175.10 173.17 1muq s GLU 108 N -1.93 0.78 -0.26 2.72 -1.05 -0.04 -3.17 118.70 115.75 1muq s GLU 108 Ca 0.52 -1.17 -0.20 0.00 -0.15 0.00 0.00 54.97 53.98 1muq s GLU 108 Cb -0.45 -0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 32.91 1muq s GLU 108 CO 0.60 0.02 0.60 -0.51 0.95 0.00 0.00 175.26 176.92 1muq s LEU 109 N -2.59 4.06 -0.20 1.83 1.43 0.64 -1.59 118.68 122.25 1muq s LEU 109 Ca 0.06 0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 1muq s LEU 109 Cb 0.00 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1muq s LEU 109 CO -0.02 -0.35 1.65 -0.69 0.23 0.00 0.00 176.35 177.17 1muq s VAL 110 N 2.44 3.64 0.37 -1.59 1.01 0.28 -2.90 120.40 123.65 1muq s VAL 110 Ca 0.25 0.72 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1muq s VAL 110 Cb -0.16 -3.63 0.21 0.00 0.00 0.00 0.00 36.38 32.80 1muq s VAL 110 CO 0.09 -0.25 1.96 -1.28 0.00 0.00 0.00 175.10 175.62 1muq h SER 111 N 10.80 0.50 0.20 3.32 0.87 -1.87 0.15 113.55 127.51 1muq h SER 111 Ca -0.35 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.09 1muq h SER 111 Cb 1.16 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1muq h SER 111 CO 0.99 0.47 -0.26 -0.07 -0.53 0.00 0.00 176.83 177.43 1muq h LEU 112 N 0.55 0.12 -1.57 2.23 3.38 -1.90 -1.79 115.31 116.33 1muq h LEU 112 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1muq h LEU 112 Cb 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1muq h LEU 112 CO -0.01 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.25 1muq n THR 113 N -4.18 0.76 -1.34 0.22 -2.24 -0.79 -4.81 114.28 101.89 1muq n THR 113 Ca -0.02 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1muq n THR 113 Cb 0.34 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.46 1.25 2.16 3.38 0.00 -0.67 -1.49 105.19 110.28 1muq n GLY 114 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.55 -0.10 1.01 1.61 4.02 0.44 -4.57 117.16 117.02 1muq n TYR 115 Ca -0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.88 1muq n TYR 115 Cb 0.44 -1.58 0.01 0.00 -0.02 0.00 0.00 39.34 38.19 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 -2.41 0.15 -4.93 -0.72 1.74 -0.56 -4.40 116.66 105.53 1muq n ARG 116 Ca -0.07 -0.11 -0.27 0.00 -0.77 0.00 0.00 57.85 56.63 1muq n ARG 116 Cb 0.33 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.93 1.99 0.66 0.55 1.43 -1.26 -4.99 118.68 114.14 1muq s LEU 117 Ca 0.10 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1muq s LEU 117 Cb 0.17 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.42 1muq s LEU 117 CO 0.78 0.20 0.95 0.26 0.23 0.00 0.00 176.35 178.78 1muq s TRP 118 N -0.23 2.91 -0.29 0.29 0.52 -1.16 -0.55 118.94 120.43 1muq s TRP 118 Ca 0.02 0.33 -0.17 0.00 0.02 0.00 0.00 56.10 56.30 1muq s TRP 118 Cb -0.10 -3.07 0.14 0.00 -1.15 0.00 0.00 33.47 29.29 1muq s TRP 118 CO 0.01 -1.26 0.95 1.21 0.02 0.00 0.00 176.95 177.88 1muq s ASN 119 N -4.49 -0.55 0.31 2.95 2.47 -0.62 -2.01 114.94 112.99 1muq s ASN 119 Ca 0.59 0.90 -0.29 0.00 0.42 0.00 0.00 52.86 54.48 1muq s ASN 119 Cb -0.11 1.20 -0.10 0.00 -1.45 0.00 0.00 41.25 40.79 1muq s ASN 119 CO 0.43 -0.14 1.35 1.51 -3.72 0.00 0.00 177.10 176.53 1muq s ASP 120 N 1.26 6.72 0.17 -4.21 -4.77 -1.26 -0.86 116.67 113.72 1muq s ASP 120 Ca -0.08 2.69 -0.01 0.00 -3.30 0.00 0.00 52.55 51.85 1muq s ASP 120 Cb -0.04 -2.64 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 1muq s ASP 120 CO -0.15 -0.60 0.10 -1.58 0.70 0.00 0.00 175.17 173.65 1muq s GLN 121 N -1.36 1.09 -0.55 2.11 2.00 -0.14 -4.89 119.66 117.92 1muq s GLN 121 Ca 0.52 -1.54 -0.28 0.00 -2.00 0.00 0.00 55.36 52.06 1muq s GLN 121 Cb -0.41 0.26 0.00 0.00 0.80 0.00 0.00 33.01 33.67 1muq s GLN 121 CO 0.50 -0.34 1.57 0.08 -0.50 0.00 0.00 175.29 176.60 1muq s VAL 122 N -4.11 3.63 0.50 1.34 1.01 -1.26 -1.03 120.40 120.48 1muq s VAL 122 Ca 0.32 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.93 1muq s VAL 122 Cb 0.07 -4.24 0.11 0.00 0.00 0.00 0.00 36.38 32.32 1muq s VAL 122 CO 0.08 -1.05 1.27 0.00 0.00 0.00 0.00 175.10 175.40 1muq n GLU 124 N -2.40 0.10 -1.74 0.00 -0.58 -1.26 -0.55 120.64 114.20 1muq n GLU 124 Ca -0.01 -0.03 -0.38 0.00 -0.42 0.00 0.00 57.16 56.32 1muq n GLU 124 Cb 0.67 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.09 1muq n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1muq n SER 125 N -1.43 2.57 -4.29 1.62 7.64 0.57 -4.66 113.62 115.64 1muq n SER 125 Ca 0.08 0.94 -0.45 0.00 1.01 0.00 0.00 58.87 60.44 1muq n SER 125 Cb 0.33 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.92 1muq n SER 125 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1muq s LYS 126 N -3.04 3.48 0.50 1.43 -0.14 -1.26 -3.68 119.74 117.03 1muq s LYS 126 Ca 0.75 -2.53 0.05 0.00 -1.36 0.00 0.00 55.97 52.89 1muq s LYS 126 Cb -0.40 -4.33 0.01 0.00 -1.68 0.00 0.00 37.83 31.43 1muq s LYS 126 CO 0.46 -1.27 0.32 -0.51 -0.76 0.00 0.00 175.35 173.59 1muq s ASP 127 N 1.86 4.58 0.79 2.83 1.01 -1.02 -4.59 116.67 122.12 1muq s ASP 127 Ca 0.19 -1.21 -0.08 0.00 0.71 0.00 0.00 52.55 52.15 1muq s ASP 127 Cb -0.11 0.17 0.12 0.00 1.01 0.00 0.00 42.92 44.11 1muq s ASP 127 CO -0.08 -0.93 1.10 0.00 0.21 0.00 0.00 175.17 175.47 1muq s ALA 128 N -2.72 3.01 0.06 5.23 0.00 -0.72 -0.79 121.76 125.83 1muq s ALA 128 Ca 0.33 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1muq s ALA 128 Cb -0.01 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1muq s ALA 128 CO 0.20 -1.68 0.14 -0.59 0.00 0.00 0.00 175.76 173.83 1muq s PHE 129 N -3.42 0.19 -0.42 0.00 -0.71 -1.08 0.06 117.98 112.60 1muq s PHE 129 Ca 0.66 -0.56 -0.10 0.00 -1.04 0.00 0.00 56.93 55.89 1muq s PHE 129 Cb -0.07 -0.11 0.07 0.00 -1.21 0.00 0.00 43.02 41.69 1muq s PHE 129 CO 0.47 -0.45 0.27 -1.17 -1.34 0.00 0.00 175.22 173.00 1muq s LEU 130 N -2.52 5.17 0.57 -1.99 0.20 -0.59 -0.72 118.68 118.80 1muq s LEU 130 Ca 0.01 -1.43 -0.07 0.00 0.69 0.00 0.00 54.13 53.32 1muq s LEU 130 Cb 0.03 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1muq s LEU 130 CO -0.08 -0.54 0.91 0.00 -0.29 0.00 0.00 176.35 176.36 1muq s GLN 132 N -4.98 0.10 0.22 0.00 0.74 0.13 -1.86 119.66 114.01 1muq s GLN 132 Ca 0.52 0.46 0.03 0.00 0.05 0.00 0.00 55.36 56.42 1muq s GLN 132 Cb -0.11 -0.18 -0.05 0.00 1.10 0.00 0.00 33.01 33.77 1muq s GLN 132 CO 0.48 -0.20 0.01 0.00 -0.55 0.00 0.00 175.29 175.02 1muq s LYS 134 N -3.89 2.97 0.00 0.00 1.02 -1.21 -1.22 119.74 117.41 1muq s LYS 134 Ca 0.28 -0.84 0.09 0.00 0.02 0.00 0.00 55.97 55.53 1muq s LYS 134 Cb 0.06 -2.34 0.07 0.00 -0.52 0.00 0.00 37.83 35.11 1muq s LYS 134 CO 0.08 0.26 0.79 1.19 -0.92 0.00 0.00 175.35 176.75