#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 -3.84 1.71 0.56 0.00 0.02 -1.26 -4.88 135.00 127.31 1muq s PRO 4 Ca 0.37 1.60 0.30 0.00 0.02 0.00 0.00 61.00 63.29 1muq s PRO 4 Cb 0.04 -1.80 1.68 0.00 0.02 0.00 0.00 34.50 34.44 1muq s PRO 4 CO 0.17 -2.13 2.17 -0.07 -0.33 0.00 0.00 177.00 176.81 1muq h LEU 5 N -1.04 0.00 -2.65 -5.54 4.07 -2.03 -2.30 115.31 105.82 1muq h LEU 5 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1muq h LEU 5 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1muq h LEU 5 CO 0.47 0.06 0.00 -0.90 -1.08 0.00 0.00 178.44 176.99 1muq n ASP 6 N -3.65 4.06 -4.56 -0.43 5.75 -1.26 -4.89 116.55 111.57 1muq n ASP 6 Ca -0.02 -2.39 -0.28 0.00 -0.01 0.00 0.00 54.79 52.08 1muq n ASP 6 Cb 0.16 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.62 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 -1.84 2.64 -0.33 2.11 0.52 -0.87 -4.88 118.94 116.29 1muq s TRP 7 Ca 0.42 -0.22 -0.17 0.00 0.02 0.00 0.00 56.10 56.16 1muq s TRP 7 Cb 0.28 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 31.26 1muq s TRP 7 CO 0.20 0.47 0.46 -1.17 0.02 0.00 0.00 176.95 176.93 1muq s LEU 8 N -2.56 4.32 0.13 2.99 2.96 0.10 -4.80 118.68 121.81 1muq s LEU 8 Ca 0.23 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 1muq s LEU 8 Cb -0.10 -2.51 -0.06 0.00 0.50 0.00 0.00 46.19 44.02 1muq s LEU 8 CO 0.14 -0.40 1.02 -2.84 -1.32 0.00 0.00 176.35 172.94 1muq s PRO 9 N 2.25 4.65 -0.29 0.98 0.02 -1.26 -0.80 135.00 140.55 1muq s PRO 9 Ca 0.17 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 1muq s PRO 9 Cb -0.16 -3.35 0.16 0.00 0.02 0.00 0.00 34.50 31.17 1muq s PRO 9 CO 0.12 0.14 0.61 1.41 -0.33 0.00 0.00 177.00 178.95 1muq s MET 10 N -0.04 0.56 -1.51 5.54 1.75 0.18 -4.96 119.30 120.80 1muq s MET 10 Ca 0.48 1.19 -0.05 0.00 -1.25 0.00 0.00 55.69 56.06 1muq s MET 10 Cb -0.25 0.66 0.05 0.00 2.84 0.00 0.00 34.83 38.12 1muq s MET 10 CO 0.31 -0.42 0.46 0.09 -0.65 0.00 0.00 175.02 174.81 1muq n ASN 11 N 5.44 -0.97 0.00 1.11 3.02 -1.26 -1.79 115.26 120.81 1muq n ASN 11 Ca -0.06 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1muq n ASN 11 Cb 0.50 -2.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 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 -1.90 3.08 3.78 7.41 0.00 -1.26 -5.04 105.19 111.26 1muq n GLY 12 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 3.00 -0.06 0.99 1.43 -0.74 -4.88 118.68 118.43 1muq s LEU 13 Ca 0.00 -1.13 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1muq s LEU 13 Cb 0.00 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1muq s LEU 13 CO 0.00 -0.68 -0.22 0.00 0.23 0.00 0.00 176.35 175.68 1muq s TYR 15 N -0.03 1.96 -0.26 0.00 1.51 0.02 0.10 117.35 120.65 1muq s TYR 15 Ca -0.06 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.39 1muq s TYR 15 Cb -0.14 -1.03 0.07 0.00 -0.11 0.00 0.00 41.96 40.75 1muq s TYR 15 CO 0.04 0.30 0.66 0.21 -1.11 0.00 0.00 175.55 175.65 1muq s LYS 16 N -2.27 0.73 -0.07 -0.62 2.20 -0.67 0.00 119.74 119.03 1muq s LYS 16 Ca 0.12 1.04 -0.19 0.00 -0.36 0.00 0.00 55.97 56.58 1muq s LYS 16 Cb -0.09 0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 1muq s LYS 16 CO 0.06 -0.12 0.51 0.96 -0.36 0.00 0.00 175.35 176.40 1muq s ILE 17 N 0.92 5.09 -0.19 5.43 -5.25 -1.26 -1.17 121.20 124.77 1muq s ILE 17 Ca -0.05 1.05 -0.05 0.00 -0.99 0.00 0.00 60.65 60.61 1muq s ILE 17 Cb -0.05 -3.85 -0.03 0.00 2.95 0.00 0.00 42.46 41.48 1muq s ILE 17 CO -0.08 0.37 0.01 -0.36 -1.79 0.00 0.00 174.94 173.09 1muq s PHE 18 N 0.25 3.08 -0.74 1.37 0.40 0.03 -4.98 117.98 117.39 1muq s PHE 18 Ca 0.28 -0.31 0.25 0.00 -0.60 0.00 0.00 56.93 56.55 1muq s PHE 18 Cb -0.16 -2.07 0.91 0.00 0.51 0.00 0.00 43.02 42.21 1muq s PHE 18 CO 0.13 -0.13 1.77 0.09 0.70 0.00 0.00 175.22 177.78 1muq n ASN 19 N 4.02 0.58 -4.72 1.36 3.02 -1.26 -2.15 115.26 116.10 1muq n ASN 19 Ca -0.17 0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 54.54 1muq n ASN 19 Cb 0.52 -0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 -3.12 4.16 -0.04 3.52 -0.21 -1.26 -4.70 119.66 118.01 1muq s GLN 20 Ca 0.10 2.51 -0.26 0.00 0.02 0.00 0.00 55.36 57.72 1muq s GLN 20 Cb 0.13 -3.10 -0.03 0.00 1.00 0.00 0.00 33.01 31.00 1muq s GLN 20 CO 0.51 -0.68 0.82 -0.51 -2.12 0.00 0.00 175.29 173.31 1muq s LEU 21 N 0.99 4.34 0.16 2.90 1.43 -1.26 -4.34 118.68 122.91 1muq s LEU 21 Ca 0.72 1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 55.12 1muq s LEU 21 Cb -0.47 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1muq s LEU 21 CO 0.33 -0.17 0.29 -0.54 0.23 0.00 0.00 176.35 176.49 1muq s LYS 22 N 0.87 1.15 0.78 1.70 1.02 -0.05 -4.80 119.74 120.41 1muq s LYS 22 Ca 0.44 -1.15 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 1muq s LYS 22 Cb -0.19 0.38 0.06 0.00 -0.52 0.00 0.00 37.83 37.56 1muq s LYS 22 CO 0.22 -0.42 1.09 0.95 -0.92 0.00 0.00 175.35 176.27 1muq s THR 23 N -3.96 3.24 0.11 2.17 -4.23 -1.24 -0.98 115.64 110.76 1muq s THR 23 Ca 0.16 0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 60.78 1muq s THR 23 Cb 0.03 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 1muq s THR 23 CO -0.01 -0.53 1.61 -0.25 -0.54 0.00 0.00 174.62 174.91 1muq h TRP 24 N -1.02 -0.94 -0.72 3.99 7.01 -1.46 0.39 115.95 123.20 1muq h TRP 24 Ca -0.46 0.02 0.16 0.00 2.11 0.00 0.00 58.89 60.71 1muq h TRP 24 Cb 1.26 0.39 -0.11 0.00 -2.10 0.00 0.00 29.16 28.60 1muq h TRP 24 CO 0.49 -0.46 0.17 1.49 -2.79 0.00 0.00 178.44 177.35 1muq h GLU 25 N -0.59 0.26 -0.34 2.65 4.81 -1.93 0.16 114.58 119.59 1muq h GLU 25 Ca 0.02 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1muq h GLU 25 Cb 0.61 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1muq h GLU 25 CO -0.18 0.17 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.46 1muq h ASP 26 N 0.27 0.84 -0.25 1.04 3.32 -1.84 -1.69 116.42 118.12 1muq h ASP 26 Ca 0.41 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1muq h ASP 26 Cb 0.68 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1muq h ASP 26 CO -0.50 1.12 0.16 0.00 -1.72 0.00 0.00 179.24 178.29 1muq h ALA 27 N 0.93 0.31 -0.43 3.45 0.00 0.54 0.30 119.26 124.35 1muq h ALA 27 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1muq h ALA 27 Cb 0.92 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1muq h ALA 27 CO 0.08 -0.21 0.18 1.49 0.00 0.00 0.00 179.25 180.79 1muq h GLU 28 N 0.33 0.35 0.00 0.00 4.22 -0.58 -0.58 114.58 118.31 1muq h GLU 28 Ca 0.09 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.42 1muq h GLU 28 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1muq h GLU 28 CO -0.02 0.23 -0.42 0.52 -2.18 0.00 0.00 179.01 177.15 1muq h MET 29 N 0.36 0.00 -0.23 1.92 2.86 -0.97 -0.47 114.93 118.40 1muq h MET 29 Ca 0.20 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1muq h MET 29 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1muq h MET 29 CO -0.18 0.42 -0.20 0.35 1.06 0.00 0.00 176.91 178.35 1muq h PHE 30 N 0.00 0.65 0.42 -0.22 3.04 0.41 -1.73 116.94 119.51 1muq h PHE 30 Ca -0.00 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 61.74 1muq h PHE 30 Cb 0.90 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1muq h PHE 30 CO 0.00 0.87 -0.20 0.00 -2.02 0.00 0.00 178.31 176.95 1muq h ARG 32 N -0.61 0.28 -0.03 0.00 2.47 -1.07 0.18 114.38 115.60 1muq h ARG 32 Ca -0.06 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1muq h ARG 32 Cb 0.46 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1muq h ARG 32 CO 0.10 0.18 -0.15 1.63 0.56 0.00 0.00 179.97 182.29 1muq n LYS 33 N -4.51 1.96 -0.15 0.04 4.76 -0.65 -4.23 118.16 115.38 1muq n LYS 33 Ca 0.25 -1.63 -0.09 0.00 -2.87 0.00 0.00 58.31 53.97 1muq n LYS 33 Cb 0.96 -1.46 -0.00 0.00 -1.84 0.00 0.00 35.03 32.68 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 3.97 0.66 -1.51 2.13 5.03 0.86 -3.46 116.97 124.66 1muq h TYR 34 Ca 0.00 -0.05 0.10 0.00 2.58 0.00 0.00 58.73 61.35 1muq h TYR 34 Cb 0.92 -0.20 -0.24 0.00 1.55 0.00 0.00 36.73 38.77 1muq h TYR 34 CO 0.00 0.58 0.59 -1.59 -1.32 0.00 0.00 178.16 176.42 1muq s LYS 35 N -5.52 0.53 0.21 1.82 -2.85 -1.25 -5.12 119.74 107.56 1muq s LYS 35 Ca -0.13 0.15 -0.32 0.00 -1.00 0.00 0.00 55.97 54.67 1muq s LYS 35 Cb 0.10 0.25 -0.12 0.00 -2.06 0.00 0.00 37.83 36.00 1muq s LYS 35 CO 0.76 -0.16 1.67 -0.35 0.10 0.00 0.00 175.35 177.37 1muq n PRO 36 N 0.79 2.60 -0.25 1.78 -0.04 -1.26 -2.99 135.00 135.64 1muq n PRO 36 Ca -0.09 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1muq n PRO 36 Cb 0.58 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1muq n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1muq n GLY 37 N 3.62 1.39 3.40 0.55 0.00 -1.26 -4.74 105.19 108.14 1muq n GLY 37 Ca 0.15 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.05 0.52 0.46 0.00 3.76 0.31 -3.27 115.29 116.02 1muq s HIS 39 Ca 0.14 -0.88 -0.23 0.00 -0.15 0.00 0.00 55.06 53.94 1muq s HIS 39 Cb -0.10 0.18 -0.07 0.00 1.11 0.00 0.00 32.58 33.69 1muq s HIS 39 CO 0.06 -1.08 1.21 -0.51 -0.85 0.00 0.00 174.74 173.58 1muq s LEU 40 N -3.08 4.03 0.57 0.89 1.43 -1.26 0.30 118.68 121.56 1muq s LEU 40 Ca 0.24 2.43 -0.20 0.00 -1.03 0.00 0.00 54.13 55.57 1muq s LEU 40 Cb -0.01 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 1muq s LEU 40 CO 0.12 -0.99 1.28 0.00 0.23 0.00 0.00 176.35 176.98 1muq s ALA 41 N -1.45 2.66 0.14 4.21 0.00 -0.01 -3.76 121.76 123.53 1muq s ALA 41 Ca 0.63 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.84 1muq s ALA 41 Cb -0.32 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1muq s ALA 41 CO 0.39 -1.28 -0.14 -1.54 0.00 0.00 0.00 175.76 173.19 1muq s SER 42 N -1.29 4.07 0.05 0.00 1.04 -1.26 -0.35 113.70 115.96 1muq s SER 42 Ca 0.75 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 56.72 1muq s SER 42 Cb -0.35 -0.64 -0.03 0.00 0.10 0.00 0.00 66.02 65.10 1muq s SER 42 CO 0.40 0.15 -0.26 -0.36 0.98 0.00 0.00 173.24 174.15 1muq s PHE 43 N -1.37 2.33 0.00 5.02 0.40 -1.26 -5.04 117.98 118.06 1muq s PHE 43 Ca 0.21 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1muq s PHE 43 Cb -0.10 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1muq s PHE 43 CO 0.12 0.13 0.28 0.72 0.70 0.00 0.00 175.22 177.18 1muq n HIS 44 N 1.75 0.00 -3.55 0.36 8.25 -1.26 -4.61 115.22 116.16 1muq n HIS 44 Ca -0.17 -0.04 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 1muq n HIS 44 Cb 0.52 -0.00 -0.04 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 -0.07 0.67 0.34 -0.41 1.70 -1.26 -4.72 118.95 115.20 1muq s ARG 45 Ca 0.00 0.02 0.11 0.00 -0.47 0.00 0.00 55.73 55.39 1muq s ARG 45 Cb 0.00 0.32 0.88 0.00 -0.57 0.00 0.00 34.95 35.58 1muq s ARG 45 CO 0.00 -0.24 1.78 -0.92 -1.08 0.00 0.00 175.30 174.84 1muq h TYR 46 N 2.42 0.90 -0.54 5.89 3.20 -1.99 0.02 116.97 126.87 1muq h TYR 46 Ca -0.19 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.77 1muq h TYR 46 Cb 1.18 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1muq h TYR 46 CO 0.29 0.17 0.23 0.78 -1.64 0.00 0.00 178.16 177.98 1muq h GLY 47 N 0.61 0.76 1.03 1.82 0.00 -2.00 -1.77 103.07 103.52 1muq h GLY 47 Ca 0.57 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 1muq h GLY 47 CO -0.34 0.04 0.24 0.83 0.00 0.00 0.00 176.54 177.31 1muq h GLU 48 N 0.44 1.04 -0.68 4.80 5.08 -1.40 -0.84 114.58 123.02 1muq h GLU 48 Ca 0.26 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1muq h GLU 48 Cb 0.25 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1muq h GLU 48 CO -0.23 0.88 0.40 0.77 -1.00 0.00 0.00 179.01 179.83 1muq h SER 49 N 0.98 0.63 -0.33 1.42 0.02 -1.04 0.29 113.55 115.54 1muq h SER 49 Ca 0.22 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.11 1muq h SER 49 Cb 0.25 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1muq h SER 49 CO -0.01 0.43 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.94 1muq h LEU 50 N 0.77 0.65 -0.17 5.07 3.38 -0.96 0.23 115.31 124.27 1muq h LEU 50 Ca 0.29 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1muq h LEU 50 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1muq h LEU 50 CO -0.14 0.87 0.07 -0.08 0.09 0.00 0.00 178.44 179.25 1muq h GLU 51 N 0.41 0.25 -0.34 1.13 4.57 -0.92 -1.25 114.58 118.44 1muq h GLU 51 Ca 0.08 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1muq h GLU 51 Cb 0.60 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1muq h GLU 51 CO 0.04 0.32 0.08 0.82 -1.18 0.00 0.00 179.01 179.09 1muq h ILE 52 N 0.13 1.22 -0.33 2.32 1.08 -0.91 -0.05 117.51 120.97 1muq h ILE 52 Ca 0.06 -0.76 0.04 0.00 -0.39 0.00 0.00 64.86 63.81 1muq h ILE 52 Cb 0.16 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1muq h ILE 52 CO -0.01 0.26 0.11 0.00 -0.69 0.00 0.00 178.15 177.82 1muq h ALA 53 N 0.92 0.38 -0.47 1.87 0.00 -0.43 0.45 119.26 121.98 1muq h ALA 53 Ca 0.11 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1muq h ALA 53 Cb 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1muq h ALA 53 CO 0.00 -0.28 -0.01 1.49 0.00 0.00 0.00 179.25 180.45 1muq h GLU 54 N 0.26 0.78 -0.09 0.00 4.81 -1.10 -2.00 114.58 117.25 1muq h GLU 54 Ca 0.15 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1muq h GLU 54 Cb 0.12 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1muq h GLU 54 CO -0.16 0.80 0.03 -0.92 -0.73 0.00 0.00 179.01 178.03 1muq h TYR 55 N 0.73 0.14 -0.45 0.92 -0.00 -0.29 -2.42 116.97 115.60 1muq h TYR 55 Ca 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.83 1muq h TYR 55 Cb 0.46 -0.04 -0.02 0.00 -0.00 0.00 0.00 36.73 37.13 1muq h TYR 55 CO 0.02 0.28 0.19 0.82 -0.00 0.00 0.00 178.16 179.48 1muq h ILE 56 N -0.04 1.20 -0.41 1.81 2.04 -0.84 -0.19 117.51 121.07 1muq h ILE 56 Ca 0.03 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1muq h ILE 56 Cb 0.21 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1muq h ILE 56 CO -0.00 0.22 0.27 0.28 0.00 0.00 0.00 178.15 178.92 1muq h SER 57 N 0.59 0.37 0.50 1.72 0.02 -1.31 0.56 113.55 116.00 1muq h SER 57 Ca 0.15 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.80 1muq h SER 57 Cb 0.17 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1muq h SER 57 CO -0.02 0.25 -1.53 0.44 -1.14 0.00 0.00 176.83 174.84 1muq h ASP 58 N 0.42 0.27 0.00 3.07 3.32 -1.08 -3.40 116.42 119.02 1muq h ASP 58 Ca 0.17 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1muq h ASP 58 Cb 0.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1muq h ASP 58 CO -0.04 1.34 -1.62 -1.22 -1.72 0.00 0.00 179.24 175.98 1muq n TYR 59 N -3.37 0.00 -2.05 4.55 4.02 -0.11 -4.96 117.16 115.24 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 1.03 -0.31 -0.03 0.00 -0.02 0.00 0.00 39.34 40.01 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 -2.95 2.37 -0.99 -0.72 2.46 0.19 -4.92 115.29 110.74 1muq s HIS 60 Ca -0.05 0.42 -0.14 0.00 0.47 0.00 0.00 55.06 55.76 1muq s HIS 60 Cb 0.09 -3.85 0.21 0.00 -0.13 0.00 0.00 32.58 28.89 1muq s HIS 60 CO 0.57 -3.42 1.05 0.15 -2.47 0.00 0.00 174.74 170.62 1muq s LYS 61 N 3.16 3.84 0.00 2.88 1.02 -1.26 -4.88 119.74 124.50 1muq s LYS 61 Ca 0.70 -2.51 0.00 0.00 0.02 0.00 0.00 55.97 54.18 1muq s LYS 61 Cb -0.34 -4.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 1muq s LYS 61 CO 0.29 -1.47 0.00 0.41 -0.92 0.00 0.00 175.35 173.66 1muq n GLY 62 N 4.02 -0.83 0.00 -3.33 0.00 -1.26 -4.91 105.19 98.88 1muq n GLY 62 Ca 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.09 -1.65 1.61 7.27 -1.26 -5.11 117.38 118.33 1muq n GLN 63 Ca 0.00 -0.30 -0.32 0.00 0.07 0.00 0.00 57.00 56.45 1muq n GLN 63 Cb 0.00 -0.56 0.05 0.00 2.41 0.00 0.00 30.24 32.13 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 -0.05 2.89 0.89 3.69 8.01 -1.26 -4.78 118.70 128.09 1muq s GLU 64 Ca 0.00 1.10 -0.11 0.00 0.01 0.00 0.00 54.97 55.96 1muq s GLU 64 Cb 0.00 -1.98 0.13 0.00 -4.31 0.00 0.00 34.13 27.97 1muq s GLU 64 CO 0.00 -1.14 1.09 -0.80 0.01 0.00 0.00 175.26 174.42 1muq s ASN 65 N -3.36 3.49 -0.11 -0.19 0.01 -1.26 -4.70 114.94 108.81 1muq s ASN 65 Ca 0.61 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 54.29 1muq s ASN 65 Cb -0.16 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1muq s ASN 65 CO 0.49 -2.63 -0.22 -0.69 -1.51 0.00 0.00 177.10 172.54 1muq s VAL 66 N -2.93 1.97 0.39 1.60 1.01 -0.62 -1.36 120.40 120.46 1muq s VAL 66 Ca 0.63 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1muq s VAL 66 Cb -0.18 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 1muq s VAL 66 CO 0.57 0.54 1.11 0.26 0.00 0.00 0.00 175.10 177.58 1muq s TRP 67 N 0.50 3.21 0.21 5.22 0.23 0.15 0.21 118.94 128.68 1muq s TRP 67 Ca -0.15 1.61 0.03 0.00 -2.03 0.00 0.00 56.10 55.55 1muq s TRP 67 Cb -0.17 -3.27 -0.05 0.00 0.03 0.00 0.00 33.47 30.01 1muq s TRP 67 CO 0.06 -0.93 0.01 0.96 0.96 0.00 0.00 176.95 178.00 1muq s ILE 68 N -1.49 0.83 -1.40 2.03 -4.36 -0.79 -2.00 121.20 114.02 1muq s ILE 68 Ca 0.56 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1muq s ILE 68 Cb -0.27 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1muq s ILE 68 CO 0.34 -0.35 0.34 0.61 0.24 0.00 0.00 174.94 176.11 1muq n GLY 69 N -0.35 0.24 3.72 6.27 0.00 0.53 -4.55 105.19 111.05 1muq n GLY 69 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.40 4.26 -0.02 0.99 2.96 -1.26 -1.02 118.68 124.18 1muq s LEU 70 Ca 0.00 0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 54.51 1muq s LEU 70 Cb 0.00 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 44.08 1muq s LEU 70 CO 0.00 0.01 0.30 0.00 -1.32 0.00 0.00 176.35 175.34 1muq s ARG 71 N 0.67 0.64 -1.11 1.98 1.70 -0.73 -1.23 118.95 120.87 1muq s ARG 71 Ca 0.24 -0.16 -0.07 0.00 -0.47 0.00 0.00 55.73 55.26 1muq s ARG 71 Cb -0.15 0.28 0.28 0.00 -0.57 0.00 0.00 34.95 34.80 1muq s ARG 71 CO 0.09 -0.17 1.28 -3.47 -1.08 0.00 0.00 175.30 171.95 1muq n ASP 72 N 1.40 5.85 -0.22 -2.89 2.03 0.15 -1.15 116.55 121.72 1muq n ASP 72 Ca -0.21 -3.18 0.01 0.00 0.52 0.00 0.00 54.79 51.93 1muq n ASP 72 Cb 0.56 -1.35 0.09 0.00 -0.72 0.00 0.00 41.12 39.71 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 6.19 0.05 -0.05 -0.67 3.64 -1.84 -0.91 116.57 122.99 1muq h LYS 73 Ca 0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1muq h LYS 73 Cb 0.77 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1muq h LYS 73 CO 1.16 0.03 0.00 1.63 -2.27 0.00 0.00 179.45 180.00 1muq n LYS 74 N -5.37 1.59 -2.81 1.90 5.02 -1.26 -4.94 118.16 112.28 1muq n LYS 74 Ca 0.09 -0.86 -0.21 0.00 -2.02 0.00 0.00 58.31 55.31 1muq n LYS 74 Cb 0.37 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.05 -3.44 -0.16 1.97 5.02 -0.35 -4.85 118.16 116.41 1muq n LYS 75 Ca 0.19 0.84 0.08 0.00 -2.02 0.00 0.00 58.31 57.40 1muq n LYS 75 Cb 0.31 -5.60 0.11 0.00 -0.02 0.00 0.00 35.03 29.83 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 -2.25 1.84 -1.34 4.39 5.75 -1.26 -4.95 116.55 118.72 1muq n ASP 76 Ca -0.14 -2.84 -0.09 0.00 -0.01 0.00 0.00 54.79 51.70 1muq n ASP 76 Cb 0.63 -0.38 0.01 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.12 -0.76 -3.59 2.11 3.01 -1.26 -4.97 117.46 110.87 1muq n PHE 77 Ca 0.12 0.19 -0.38 0.00 1.01 0.00 0.00 57.45 58.40 1muq n PHE 77 Cb 0.65 -2.43 -0.06 0.00 -0.01 0.00 0.00 39.48 37.64 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 -2.85 6.11 0.06 4.37 1.04 -1.26 -5.05 113.70 116.11 1muq s SER 78 Ca 0.11 -3.55 -0.31 0.00 0.48 0.00 0.00 55.95 52.68 1muq s SER 78 Cb -0.05 -1.95 -0.06 0.00 0.10 0.00 0.00 66.02 64.06 1muq s SER 78 CO 0.14 -0.24 1.29 0.26 0.98 0.00 0.00 173.24 175.67 1muq s TRP 79 N -1.11 3.26 0.02 5.02 0.52 -1.26 -4.24 118.94 121.15 1muq s TRP 79 Ca 0.26 1.11 0.03 0.00 0.02 0.00 0.00 56.10 57.53 1muq s TRP 79 Cb -0.09 -3.54 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 1muq s TRP 79 CO -0.11 -1.79 -0.10 -1.21 0.02 0.00 0.00 176.95 173.76 1muq s GLU 80 N 1.40 0.72 0.09 4.98 2.02 -0.30 -4.79 118.70 122.82 1muq s GLU 80 Ca 0.61 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.80 1muq s GLU 80 Cb -0.31 -0.67 -0.06 0.00 0.10 0.00 0.00 34.13 33.18 1muq s GLU 80 CO 0.28 0.17 0.77 -1.58 0.02 0.00 0.00 175.26 174.93 1muq s TRP 81 N -0.67 3.80 0.47 1.61 0.52 -1.26 -1.78 118.94 121.64 1muq s TRP 81 Ca -0.00 1.54 0.31 0.00 0.02 0.00 0.00 56.10 57.97 1muq s TRP 81 Cb -0.06 -2.81 1.66 0.00 -1.15 0.00 0.00 33.47 31.12 1muq s TRP 81 CO 0.00 0.36 2.15 1.79 0.02 0.00 0.00 176.95 181.28 1muq h THR 82 N 3.82 0.44 -0.20 2.01 1.35 -1.38 -0.48 112.91 118.47 1muq h THR 82 Ca -0.45 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1muq h THR 82 Cb 1.21 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1muq h THR 82 CO 0.69 0.07 0.00 -0.90 -0.25 0.00 0.00 175.52 175.13 1muq n ASP 83 N -3.58 2.15 -0.30 5.36 5.68 -1.26 -4.87 116.55 119.73 1muq n ASP 83 Ca -0.02 -2.21 -0.03 0.00 -0.50 0.00 0.00 54.79 52.03 1muq n ASP 83 Cb 0.18 -0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 39.71 1muq n ASP 83 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1muq n ARG 84 N 0.19 -1.86 -1.39 0.11 1.74 -0.19 -4.93 116.66 110.34 1muq n ARG 84 Ca 0.08 0.45 -0.30 0.00 -0.77 0.00 0.00 57.85 57.32 1muq n ARG 84 Cb 0.45 -4.42 0.11 0.00 -1.02 0.00 0.00 32.46 27.58 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 -1.56 4.17 0.48 0.55 1.04 -1.26 -4.97 113.70 112.16 1muq s SER 85 Ca 0.00 1.45 -0.20 0.00 0.48 0.00 0.00 55.95 57.68 1muq s SER 85 Cb 0.00 -2.17 -0.09 0.00 0.10 0.00 0.00 66.02 63.86 1muq s SER 85 CO 0.00 -2.19 1.02 0.00 0.98 0.00 0.00 173.24 173.05 1muq n THR 87 N -1.01 4.35 -0.98 0.00 -1.04 -1.26 -4.68 114.28 109.65 1muq n THR 87 Ca 0.09 -4.66 0.08 0.00 -2.04 0.00 0.00 64.05 57.51 1muq n THR 87 Cb 0.53 -2.41 0.30 0.00 -1.82 0.00 0.00 70.33 66.93 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 4.64 4.40 -3.64 8.00 3.85 -1.26 -4.93 116.55 127.60 1muq n ASP 88 Ca 0.37 -3.02 -0.06 0.00 -0.71 0.00 0.00 54.79 51.38 1muq n ASP 88 Cb 0.40 -0.59 -0.07 0.00 -1.35 0.00 0.00 41.12 39.51 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 -2.83 -0.61 -0.05 2.11 5.04 -1.26 -4.93 117.35 114.82 1muq s TYR 89 Ca 0.46 1.30 -0.04 0.00 -2.44 0.00 0.00 57.07 56.35 1muq s TYR 89 Cb 0.37 0.38 0.02 0.00 0.35 0.00 0.00 41.96 43.08 1muq s TYR 89 CO 0.11 -0.30 0.13 -0.51 -1.34 0.00 0.00 175.55 173.64 1muq s LEU 90 N 0.93 1.29 -0.40 6.97 1.43 -1.26 -4.86 118.68 122.79 1muq s LEU 90 Ca -0.04 0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.42 1muq s LEU 90 Cb -0.04 0.42 0.30 0.00 0.03 0.00 0.00 46.19 46.89 1muq s LEU 90 CO -0.12 -0.07 0.64 1.07 0.23 0.00 0.00 176.35 178.10 1muq n THR 91 N 3.34 -0.20 -1.99 5.49 5.66 -1.26 -5.11 114.28 120.21 1muq n THR 91 Ca -0.16 -4.39 -0.36 0.00 -3.05 0.00 0.00 64.05 56.09 1muq n THR 91 Cb 0.57 -1.13 0.04 0.00 -1.55 0.00 0.00 70.33 68.25 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 -1.91 2.38 0.86 1.09 0.52 -1.26 -1.06 118.94 119.55 1muq s TRP 92 Ca 0.38 1.52 -0.12 0.00 0.02 0.00 0.00 56.10 57.89 1muq s TRP 92 Cb 0.26 -3.48 0.11 0.00 -1.15 0.00 0.00 33.47 29.20 1muq s TRP 92 CO -0.09 -2.24 1.18 0.34 0.02 0.00 0.00 176.95 176.15 1muq s ASP 93 N -1.61 4.06 0.13 2.95 2.15 0.23 -4.56 116.67 120.01 1muq s ASP 93 Ca 0.77 0.79 -0.33 0.00 0.43 0.00 0.00 52.55 54.22 1muq s ASP 93 Cb -0.30 -1.27 -0.13 0.00 -0.30 0.00 0.00 42.92 40.91 1muq s ASP 93 CO 0.33 -2.19 1.69 1.17 -0.17 0.00 0.00 175.17 176.01 1muq n LYS 94 N -3.50 2.38 -1.46 4.34 4.81 -1.26 -1.73 118.16 121.74 1muq n LYS 94 Ca 0.08 0.86 -0.07 0.00 -0.87 0.00 0.00 58.31 58.31 1muq n LYS 94 Cb 0.60 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.95 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 4.36 -3.59 -4.30 3.14 5.03 -1.26 -5.03 115.26 113.62 1muq n ASN 95 Ca 0.18 0.13 -0.17 0.00 0.87 0.00 0.00 54.58 55.59 1muq n ASN 95 Cb 0.31 -2.05 -0.10 0.00 -1.02 0.00 0.00 39.78 36.93 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 -3.09 1.19 0.32 3.52 -1.52 -0.70 -4.24 119.66 115.14 1muq s GLN 96 Ca 0.00 -1.49 -0.25 0.00 -1.95 0.00 0.00 55.36 51.66 1muq s GLN 96 Cb 0.00 -0.92 -0.10 0.00 -0.22 0.00 0.00 33.01 31.78 1muq s GLN 96 CO 0.00 0.15 0.93 -1.25 -0.25 0.00 0.00 175.29 174.87 1muq s PRO 97 N -3.54 4.55 0.00 2.91 0.04 -1.26 -4.61 135.00 133.09 1muq s PRO 97 Ca 0.18 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1muq s PRO 97 Cb -0.00 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1muq s PRO 97 CO 0.04 0.28 0.64 -0.40 0.04 0.00 0.00 177.00 177.59 1muq n ASP 98 N 0.52 1.24 -4.28 6.66 5.68 -1.26 -5.00 116.55 120.12 1muq n ASP 98 Ca 0.02 -1.34 -0.32 0.00 -0.50 0.00 0.00 54.79 52.65 1muq n ASP 98 Cb 0.50 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.17 -1.36 -1.68 2.11 8.25 -1.26 -4.64 115.22 116.48 1muq n HIS 99 Ca 0.00 0.67 -0.62 0.00 -0.26 0.00 0.00 57.72 57.51 1muq n HIS 99 Cb 0.12 -2.84 -0.09 0.00 1.12 0.00 0.00 29.99 28.30 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 -4.44 1.85 -1.84 4.41 -0.00 -1.26 0.63 117.16 116.50 1muq n TYR 100 Ca -0.21 0.78 -0.17 0.00 -0.00 0.00 0.00 57.90 58.30 1muq n TYR 100 Cb 0.64 -2.36 -0.05 0.00 -0.00 0.00 0.00 39.34 37.57 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 5.17 -1.58 -2.37 2.98 6.02 -1.26 -1.61 117.38 124.72 1muq n GLN 101 Ca 0.31 0.95 -0.20 0.00 -0.01 0.00 0.00 57.00 58.05 1muq n GLN 101 Cb 0.05 -5.38 -0.01 0.00 1.02 0.00 0.00 30.24 25.91 1muq n GLN 101 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1muq n ASN 102 N -1.32 -5.72 0.00 1.08 3.02 0.20 -4.85 115.26 107.67 1muq n ASN 102 Ca -0.18 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1muq n ASN 102 Cb 0.60 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1muq n ASN 102 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1muq n LYS 103 N -2.97 1.12 -4.05 3.52 5.02 -0.64 -5.00 118.16 115.16 1muq n LYS 103 Ca -0.24 -0.90 -0.33 0.00 -2.02 0.00 0.00 58.31 54.82 1muq n LYS 103 Cb 0.68 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.45 2.72 0.00 1.97 2.02 -1.25 -4.07 118.70 119.64 1muq s GLU 104 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1muq s GLU 104 Cb 0.00 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1muq s GLU 104 CO 0.00 -0.38 0.37 1.19 0.02 0.00 0.00 175.26 176.46 1muq n PHE 105 N 4.58 0.00 -5.19 1.61 3.01 -1.01 -4.29 117.46 116.18 1muq n PHE 105 Ca -0.17 -0.05 -0.32 0.00 1.01 0.00 0.00 57.45 57.92 1muq n PHE 105 Cb 0.47 -0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.77 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 -0.20 5.29 0.12 0.00 1.01 -0.36 0.23 120.40 126.49 1muq s VAL 107 Ca -0.02 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1muq s VAL 107 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1muq s VAL 107 CO 0.03 0.55 -0.13 -1.83 0.00 0.00 0.00 175.10 173.72 1muq s GLU 108 N -0.68 1.01 -0.07 2.72 -1.05 -0.62 -1.89 118.70 118.12 1muq s GLU 108 Ca 0.18 -1.26 -0.24 0.00 -0.15 0.00 0.00 54.97 53.50 1muq s GLU 108 Cb -0.14 -0.81 -0.03 0.00 -0.44 0.00 0.00 34.13 32.71 1muq s GLU 108 CO 0.07 0.14 0.71 -0.51 0.95 0.00 0.00 175.26 176.63 1muq s LEU 109 N -2.58 4.31 -0.21 1.83 1.43 0.58 -1.72 118.68 122.31 1muq s LEU 109 Ca 0.10 1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 54.12 1muq s LEU 109 Cb -0.03 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 1muq s LEU 109 CO 0.02 -0.14 0.94 -0.69 0.23 0.00 0.00 176.35 176.72 1muq s VAL 110 N 0.90 4.77 0.38 -1.59 1.01 -0.06 -1.58 120.40 124.22 1muq s VAL 110 Ca 0.38 1.83 0.06 0.00 0.00 0.00 0.00 61.98 64.25 1muq s VAL 110 Cb -0.18 -4.22 0.28 0.00 0.00 0.00 0.00 36.38 32.26 1muq s VAL 110 CO 0.18 -0.10 2.01 -1.28 0.00 0.00 0.00 175.10 175.90 1muq h SER 111 N 7.48 0.59 0.72 3.32 0.87 -1.86 -0.89 113.55 123.78 1muq h SER 111 Ca -0.23 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1muq h SER 111 Cb 1.09 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1muq h SER 111 CO 0.92 0.41 -0.09 -0.07 -0.53 0.00 0.00 176.83 177.47 1muq h LEU 112 N 0.69 0.00 -2.58 2.23 3.38 -1.92 -2.34 115.31 114.77 1muq h LEU 112 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1muq h LEU 112 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1muq h LEU 112 CO -0.06 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1muq n THR 113 N -3.30 1.41 -1.58 0.22 -2.24 -0.80 -4.88 114.28 103.12 1muq n THR 113 Ca -0.01 -0.95 -0.07 0.00 -2.27 0.00 0.00 64.05 60.76 1muq n THR 113 Cb 0.29 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.06 0.57 2.37 3.38 0.00 -0.88 -2.88 105.19 108.82 1muq n GLY 114 Ca 0.21 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.29 -0.19 -0.02 1.61 4.02 -0.40 -4.58 117.16 114.30 1muq n TYR 115 Ca -0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.61 1muq n TYR 115 Cb 0.36 -2.67 -0.14 0.00 -0.02 0.00 0.00 39.34 36.88 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 -2.52 0.74 -3.95 -0.72 1.74 -1.14 -4.26 116.66 106.55 1muq n ARG 116 Ca -0.15 0.24 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 1muq n ARG 116 Cb 0.51 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 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 -6.96 4.32 0.15 0.55 1.43 -1.26 -4.95 118.68 111.97 1muq s LEU 117 Ca -0.24 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1muq s LEU 117 Cb 0.07 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1muq s LEU 117 CO 0.74 0.07 0.21 0.26 0.23 0.00 0.00 176.35 177.86 1muq s TRP 118 N -1.71 3.33 -0.07 0.29 0.51 -0.23 -0.88 118.94 120.18 1muq s TRP 118 Ca 0.34 0.06 -0.04 0.00 -2.12 0.00 0.00 56.10 54.34 1muq s TRP 118 Cb -0.11 -1.60 0.03 0.00 -0.81 0.00 0.00 33.47 30.98 1muq s TRP 118 CO 0.28 0.52 0.16 1.21 -0.51 0.00 0.00 176.95 178.61 1muq s ASN 119 N -3.13 -0.15 0.15 2.95 2.47 -0.70 0.74 114.94 117.27 1muq s ASN 119 Ca 0.33 0.33 -0.30 0.00 0.42 0.00 0.00 52.86 53.64 1muq s ASN 119 Cb -0.11 0.26 -0.07 0.00 -1.45 0.00 0.00 41.25 39.88 1muq s ASN 119 CO 0.26 -0.12 1.09 1.51 -3.72 0.00 0.00 177.10 176.12 1muq s ASP 120 N 0.80 7.28 0.15 -4.21 -4.77 -1.26 -1.59 116.67 113.06 1muq s ASP 120 Ca -0.06 2.03 0.04 0.00 -3.30 0.00 0.00 52.55 51.26 1muq s ASP 120 Cb -0.08 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 1muq s ASP 120 CO -0.04 -0.23 -0.10 -1.58 0.70 0.00 0.00 175.17 173.92 1muq s GLN 121 N -0.12 1.05 0.08 2.11 2.00 0.64 -4.84 119.66 120.57 1muq s GLN 121 Ca 0.50 -1.45 -0.31 0.00 -2.00 0.00 0.00 55.36 52.11 1muq s GLN 121 Cb -0.28 -0.61 -0.09 0.00 0.80 0.00 0.00 33.01 32.82 1muq s GLN 121 CO 0.33 0.07 1.85 0.08 -0.50 0.00 0.00 175.29 177.13 1muq s VAL 122 N -3.34 2.80 0.63 1.34 1.01 -1.26 -1.93 120.40 119.66 1muq s VAL 122 Ca 0.17 0.11 0.35 0.00 0.00 0.00 0.00 61.98 62.61 1muq s VAL 122 Cb 0.03 -3.07 0.38 0.00 0.00 0.00 0.00 36.38 33.72 1muq s VAL 122 CO 0.00 -0.00 2.19 0.00 0.00 0.00 0.00 175.10 177.29 1muq n GLU 124 N -3.36 1.27 -2.39 0.00 -0.58 -1.26 -1.75 120.64 112.57 1muq n GLU 124 Ca -0.01 -0.39 -0.33 0.00 -0.42 0.00 0.00 57.16 56.00 1muq n GLU 124 Cb 0.20 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.89 6.34 -0.28 1.62 0.01 -0.45 -4.80 113.70 114.25 1muq s SER 125 Ca 0.40 1.75 -0.12 0.00 1.31 0.00 0.00 55.95 59.30 1muq s SER 125 Cb 0.20 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1muq s SER 125 CO 0.33 -0.78 0.23 -0.54 0.41 0.00 0.00 173.24 172.89 1muq s LYS 126 N -3.74 3.94 0.28 12.44 -0.14 -1.26 -3.66 119.74 127.61 1muq s LYS 126 Ca 0.63 -0.26 0.02 0.00 -1.36 0.00 0.00 55.97 55.00 1muq s LYS 126 Cb -0.13 -3.67 -0.06 0.00 -1.68 0.00 0.00 37.83 32.30 1muq s LYS 126 CO 0.28 -0.21 0.07 -0.51 -0.76 0.00 0.00 175.35 174.21 1muq s ASP 127 N 1.73 1.66 0.82 2.83 1.11 -0.15 -4.74 116.67 119.93 1muq s ASP 127 Ca 0.09 -1.36 -0.11 0.00 0.18 0.00 0.00 52.55 51.34 1muq s ASP 127 Cb -0.16 0.06 0.12 0.00 1.07 0.00 0.00 42.92 44.01 1muq s ASP 127 CO 0.11 -0.66 1.17 0.00 1.18 0.00 0.00 175.17 176.96 1muq s ALA 128 N -3.56 2.73 0.05 5.23 0.00 -0.47 -0.87 121.76 124.88 1muq s ALA 128 Ca 0.36 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1muq s ALA 128 Cb 0.08 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1muq s ALA 128 CO 0.14 -1.80 0.21 -0.59 0.00 0.00 0.00 175.76 173.71 1muq s PHE 129 N -3.56 0.06 -0.30 0.00 -0.71 -0.91 -0.67 117.98 111.89 1muq s PHE 129 Ca 0.66 -0.32 -0.04 0.00 -1.04 0.00 0.00 56.93 56.18 1muq s PHE 129 Cb -0.08 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.74 1muq s PHE 129 CO 0.49 -0.47 0.03 -1.17 -1.34 0.00 0.00 175.22 172.76 1muq s LEU 130 N -2.28 3.83 0.42 -1.99 0.20 -0.85 -0.79 118.68 117.21 1muq s LEU 130 Ca -0.02 -1.02 -0.03 0.00 0.69 0.00 0.00 54.13 53.74 1muq s LEU 130 Cb 0.00 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1muq s LEU 130 CO -0.06 -0.23 0.68 0.00 -0.29 0.00 0.00 176.35 176.46 1muq s GLN 132 N -4.46 0.39 0.07 0.00 0.74 0.15 -1.68 119.66 114.87 1muq s GLN 132 Ca 0.45 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.92 1muq s GLN 132 Cb -0.10 -0.55 -0.04 0.00 1.10 0.00 0.00 33.01 33.42 1muq s GLN 132 CO 0.40 -0.14 -0.06 0.00 -0.55 0.00 0.00 175.29 174.95 1muq s LYS 134 N -3.21 3.61 0.00 0.00 1.02 -0.99 -1.13 119.74 119.04 1muq s LYS 134 Ca 0.04 -0.51 0.19 0.00 0.02 0.00 0.00 55.97 55.71 1muq s LYS 134 Cb 0.02 -3.16 0.15 0.00 -0.52 0.00 0.00 37.83 34.32 1muq s LYS 134 CO -0.05 -0.08 1.11 1.19 -0.92 0.00 0.00 175.35 176.61