#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huq s ASN 2 N 0.00 0.38 0.36 6.12 2.20 -1.26 -5.03 114.94 117.71 3huq s ASN 2 Ca 0.00 -1.23 0.04 0.00 -0.94 0.00 0.00 52.86 50.72 3huq s ASN 2 Cb 0.00 0.72 0.68 0.00 -2.00 0.00 0.00 41.25 40.65 3huq s ASN 2 CO 0.00 -1.41 2.00 -0.29 -2.94 0.00 0.00 177.10 174.47 3huq h ILE 3 N 2.09 1.12 -0.18 0.54 6.09 -1.97 -0.52 117.51 124.69 3huq h ILE 3 Ca -0.29 -0.28 -0.03 0.00 -1.37 0.00 0.00 64.86 62.89 3huq h ILE 3 Cb 1.25 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3huq h ILE 3 CO 0.38 0.15 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.33 3huq h PHE 4 N 0.81 0.35 -0.65 2.19 -1.00 -1.99 -1.03 116.94 115.62 3huq h PHE 4 Ca 0.24 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.91 3huq h PHE 4 Cb -0.01 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 3huq h PHE 4 CO -0.00 0.55 0.19 0.93 -1.61 0.00 0.00 178.31 178.37 3huq h GLU 5 N 0.06 1.00 0.17 1.51 5.08 -1.85 -0.14 114.58 120.42 3huq h GLU 5 Ca 0.05 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3huq h GLU 5 Cb 0.41 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3huq h GLU 5 CO 0.01 0.87 -0.08 1.98 -1.00 0.00 0.00 179.01 180.78 3huq h MET 6 N 0.97 -0.23 -0.10 2.33 4.05 -1.02 -2.01 114.93 118.92 3huq h MET 6 Ca 0.21 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.57 3huq h MET 6 Cb 0.29 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3huq h MET 6 CO -0.01 0.03 -0.30 -0.07 0.23 0.00 0.00 176.91 176.79 3huq h LEU 7 N -0.46 0.18 -0.98 3.39 3.38 -1.14 -1.76 115.31 117.92 3huq h LEU 7 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3huq h LEU 7 Cb 0.36 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3huq h LEU 7 CO 0.04 0.49 0.60 -0.09 0.09 0.00 0.00 178.44 179.56 3huq h ARG 8 N 0.16 1.29 -0.21 1.13 9.65 -0.89 0.18 114.38 125.70 3huq h ARG 8 Ca 0.02 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3huq h ARG 8 Cb 0.63 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 3huq h ARG 8 CO 0.05 0.89 0.02 0.82 2.80 0.00 0.00 179.97 184.54 3huq h ILE 9 N 1.32 1.24 -0.04 1.20 2.04 -0.96 -1.40 117.51 120.91 3huq h ILE 9 Ca 0.35 -0.82 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 3huq h ILE 9 Cb -0.08 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3huq h ILE 9 CO -0.07 0.25 -0.60 0.44 0.00 0.00 0.00 178.15 178.18 3huq h ASP 10 N 0.15 0.16 0.00 1.72 3.32 -0.96 -3.31 116.42 117.49 3huq h ASP 10 Ca 0.06 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3huq h ASP 10 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3huq h ASP 10 CO 0.01 0.72 -2.07 -0.62 -1.72 0.00 0.00 179.24 175.56 3huq n GLU 11 N -3.86 0.67 -0.21 3.56 -0.58 0.61 -5.08 120.64 115.74 3huq n GLU 11 Ca -0.02 -0.17 0.03 0.00 -0.42 0.00 0.00 57.16 56.58 3huq n GLU 11 Cb 0.60 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 3huq n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huq n GLY 12 N 1.35 -1.99 2.68 0.62 0.00 -0.53 -4.30 105.19 103.02 3huq n GLY 12 Ca -0.09 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 3huq n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huq s LEU 13 N 0.00 0.16 -0.04 0.99 2.96 -1.26 -4.20 118.68 117.29 3huq s LEU 13 Ca 0.00 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3huq s LEU 13 Cb 0.00 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.60 3huq s LEU 13 CO 0.00 -0.28 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.55 3huq s ARG 14 N 2.18 0.99 0.00 1.98 0.52 -0.55 -5.00 118.95 119.07 3huq s ARG 14 Ca 0.04 -0.25 0.24 0.00 -0.52 0.00 0.00 55.73 55.24 3huq s ARG 14 Cb -0.13 -0.92 0.27 0.00 0.52 0.00 0.00 34.95 34.69 3huq s ARG 14 CO -0.05 0.04 1.25 1.28 0.02 0.00 0.00 175.30 177.85 3huq n LEU 15 N 3.57 1.08 -4.55 2.53 4.77 -1.26 0.10 117.00 123.23 3huq n LEU 15 Ca -0.21 -0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 55.12 3huq n LEU 15 Cb 0.53 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3huq n LEU 15 CO 0.24 0.23 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.56 3huq s LYS 16 N -2.77 2.11 0.11 3.23 1.02 -1.26 -0.82 119.74 121.35 3huq s LYS 16 Ca 0.15 -1.02 -0.36 0.00 0.02 0.00 0.00 55.97 54.77 3huq s LYS 16 Cb 0.18 -2.28 -0.16 0.00 -0.52 0.00 0.00 37.83 35.05 3huq s LYS 16 CO 0.67 0.51 1.43 -0.89 -0.92 0.00 0.00 175.35 176.16 3huq n ILE 17 N 0.87 0.01 -4.24 2.17 5.41 -0.69 -4.73 119.36 118.16 3huq n ILE 17 Ca -0.14 -0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 3huq n ILE 17 Cb 0.52 -1.08 -0.10 0.00 -0.71 0.00 0.00 39.64 38.27 3huq n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3huq s TYR 18 N 0.69 1.25 -0.14 1.39 -0.85 -0.22 -4.96 117.35 114.52 3huq s TYR 18 Ca 0.83 -1.24 -0.12 0.00 -0.52 0.00 0.00 57.07 56.01 3huq s TYR 18 Cb -0.86 -0.68 -0.05 0.00 0.38 0.00 0.00 41.96 40.75 3huq s TYR 18 CO 0.44 -0.46 0.26 0.15 -1.52 0.00 0.00 175.55 174.43 3huq s LYS 19 N -4.07 4.08 0.26 -3.49 1.02 -1.26 -0.04 119.74 116.25 3huq s LYS 19 Ca 0.34 0.06 -0.04 0.00 0.02 0.00 0.00 55.97 56.35 3huq s LYS 19 Cb 0.07 -3.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.08 3huq s LYS 19 CO 0.10 0.39 0.27 -0.40 -0.92 0.00 0.00 175.35 174.79 3huq n ASP 20 N 3.09 -0.81 0.30 2.83 5.68 0.39 -4.79 116.55 123.23 3huq n ASP 20 Ca -0.14 -0.81 0.18 0.00 -0.50 0.00 0.00 54.79 53.52 3huq n ASP 20 Cb 0.52 -0.23 0.92 0.00 -1.14 0.00 0.00 41.12 41.20 3huq n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3huq h THR 21 N -1.58 0.20 -0.20 2.12 1.35 -1.99 -0.66 112.91 112.16 3huq h THR 21 Ca -0.10 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3huq h THR 21 Cb 0.28 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3huq h THR 21 CO 0.06 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 174.75 3huq n GLU 22 N -3.30 2.18 -0.73 4.72 -0.58 -1.26 -4.94 120.64 116.72 3huq n GLU 22 Ca -0.02 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 3huq n GLU 22 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3huq n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huq n GLY 23 N 1.34 0.60 3.85 0.62 0.00 -0.25 -5.06 105.19 106.29 3huq n GLY 23 Ca 0.17 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3huq n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3huq s TYR 24 N -2.00 3.55 0.18 1.61 4.12 -1.26 -4.70 117.35 118.84 3huq s TYR 24 Ca 0.00 0.48 -0.32 0.00 0.02 0.00 0.00 57.07 57.25 3huq s TYR 24 Cb 0.00 -1.97 -0.11 0.00 -1.52 0.00 0.00 41.96 38.36 3huq s TYR 24 CO 0.00 0.65 1.75 0.71 0.02 0.00 0.00 175.55 178.69 3huq s TYR 25 N -0.80 2.65 0.09 2.71 4.12 -1.21 -0.46 117.35 124.44 3huq s TYR 25 Ca 0.14 0.23 -0.07 0.00 0.02 0.00 0.00 57.07 57.39 3huq s TYR 25 Cb -0.12 -4.15 -0.01 0.00 -1.52 0.00 0.00 41.96 36.16 3huq s TYR 25 CO 0.03 -4.48 0.15 0.99 0.02 0.00 0.00 175.55 172.26 3huq s THR 26 N 1.70 0.15 0.17 -0.71 2.01 0.95 -0.67 115.64 119.24 3huq s THR 26 Ca 0.77 -1.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3huq s THR 26 Cb -0.48 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.56 3huq s THR 26 CO 0.33 -0.67 0.38 -0.51 -0.69 0.00 0.00 174.62 173.46 3huq s ILE 27 N -3.90 0.05 0.00 1.82 2.07 -0.29 -1.06 121.20 119.90 3huq s ILE 27 Ca 0.08 -1.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 3huq s ILE 27 Cb 0.05 -1.70 0.00 0.00 0.13 0.00 0.00 42.46 40.94 3huq s ILE 27 CO -0.09 -0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.31 3huq n GLY 28 N -0.26 1.49 2.98 1.50 0.00 0.12 -1.02 105.19 109.99 3huq n GLY 28 Ca -0.09 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3huq n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3huq n ILE 29 N 0.00 3.94 -2.37 -0.61 5.41 -1.26 -1.48 119.36 122.98 3huq n ILE 29 Ca 0.00 -5.47 -0.15 0.00 1.00 0.00 0.00 62.75 58.13 3huq n ILE 29 Cb 0.00 -2.25 -0.00 0.00 -0.71 0.00 0.00 39.64 36.68 3huq n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3huq n GLY 30 N 1.73 -0.23 3.52 7.39 0.00 -1.24 -4.86 105.19 111.50 3huq n GLY 30 Ca 0.25 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3huq n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3huq s HIS 31 N -2.78 2.61 0.12 1.61 5.04 -0.19 -4.92 115.29 116.78 3huq s HIS 31 Ca 0.04 -0.07 -0.31 0.00 -1.54 0.00 0.00 55.06 53.17 3huq s HIS 31 Cb -0.02 -4.34 -0.09 0.00 0.04 0.00 0.00 32.58 28.18 3huq s HIS 31 CO 0.05 -1.64 1.52 -1.17 -2.34 0.00 0.00 174.74 171.16 3huq s LEU 32 N 4.58 4.37 -0.21 8.88 2.96 -1.26 -1.14 118.68 136.85 3huq s LEU 32 Ca 0.32 2.48 -0.15 0.00 -0.22 0.00 0.00 54.13 56.55 3huq s LEU 32 Cb -0.12 -3.58 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 3huq s LEU 32 CO 0.17 -0.78 0.07 0.18 -1.32 0.00 0.00 176.35 174.67 3huq n LEU 33 N 4.36 2.10 -3.52 -0.68 4.77 0.16 -4.95 117.00 119.24 3huq n LEU 33 Ca 0.14 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3huq n LEU 33 Cb 0.40 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 3huq n LEU 33 CO 0.61 0.50 0.71 0.28 -1.33 0.00 0.00 177.39 178.15 3huq s THR 34 N -2.44 0.00 -2.26 -5.08 -1.32 -1.18 -4.89 115.64 98.47 3huq s THR 34 Ca -0.31 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.44 3huq s THR 34 Cb 0.08 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.41 3huq s THR 34 CO 0.60 0.00 1.54 0.29 -2.21 0.00 0.00 174.62 174.84 3huq n LYS 35 N 0.03 1.42 -2.02 7.08 5.02 -1.26 -3.34 118.16 125.08 3huq n LYS 35 Ca -0.09 -0.95 -0.41 0.00 -2.02 0.00 0.00 58.31 54.84 3huq n LYS 35 Cb 0.61 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 3huq n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3huq s SER 36 N -2.23 6.66 0.00 4.39 0.15 -1.26 -4.92 113.70 116.49 3huq s SER 36 Ca 0.30 2.74 0.25 0.00 0.70 0.00 0.00 55.95 59.93 3huq s SER 36 Cb 0.20 -2.64 1.37 0.00 -1.71 0.00 0.00 66.02 63.24 3huq s SER 36 CO 0.42 -0.65 1.83 -0.81 1.20 0.00 0.00 173.24 175.23 3huq n PRO 37 N 1.30 0.59 -2.91 5.44 -0.04 -1.26 -4.70 135.00 133.42 3huq n PRO 37 Ca 0.03 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 3huq n PRO 37 Cb 0.41 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 3huq n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3huq s ASP 38 N -2.25 6.49 0.40 3.54 -1.08 -1.26 -4.92 116.67 117.59 3huq s ASP 38 Ca 0.31 0.13 0.10 0.00 -0.52 0.00 0.00 52.55 52.57 3huq s ASP 38 Cb 0.17 -2.41 0.90 0.00 -1.46 0.00 0.00 42.92 40.11 3huq s ASP 38 CO 0.32 -0.89 1.97 0.25 0.52 0.00 0.00 175.17 177.33 3huq h LEU 39 N 10.13 0.51 -0.99 -1.34 5.85 -2.00 -1.34 115.31 126.13 3huq h LEU 39 Ca -0.24 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3huq h LEU 39 Cb 1.08 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3huq h LEU 39 CO 0.96 0.31 0.19 0.78 -0.34 0.00 0.00 178.44 180.34 3huq h ASN 40 N 0.57 0.85 -0.68 1.25 2.35 -1.98 0.25 115.58 118.20 3huq h ASN 40 Ca 0.30 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3huq h ASN 40 Cb 0.43 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3huq h ASN 40 CO -0.10 0.81 0.28 0.00 -1.65 0.00 0.00 177.43 176.77 3huq h ALA 41 N 1.31 0.88 -0.60 -0.83 0.00 -1.66 -0.81 119.26 117.55 3huq h ALA 41 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3huq h ALA 41 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3huq h ALA 41 CO -0.01 0.49 0.27 0.00 0.00 0.00 0.00 179.25 180.00 3huq h ALA 42 N 1.13 0.78 -0.62 0.00 0.00 -0.98 -1.34 119.26 118.22 3huq h ALA 42 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3huq h ALA 42 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3huq h ALA 42 CO -0.02 0.36 0.19 0.87 0.00 0.00 0.00 179.25 180.65 3huq h LYS 43 N 0.82 0.94 -0.27 0.00 1.57 -0.68 -0.19 116.57 118.77 3huq h LYS 43 Ca 0.20 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3huq h LYS 43 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3huq h LYS 43 CO -0.02 0.81 0.09 0.77 -0.57 0.00 0.00 179.45 180.53 3huq h SER 44 N 0.91 0.39 -0.87 0.86 0.02 -0.89 -1.11 113.55 112.86 3huq h SER 44 Ca 0.20 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3huq h SER 44 Cb 0.27 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 3huq h SER 44 CO -0.01 0.48 0.56 -0.33 -1.14 0.00 0.00 176.83 176.40 3huq h GLU 45 N 0.27 1.08 0.04 3.45 4.39 -0.88 -1.13 114.58 121.79 3huq h GLU 45 Ca 0.09 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3huq h GLU 45 Cb 0.23 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3huq h GLU 45 CO -0.00 0.71 -0.02 1.25 -1.16 0.00 0.00 179.01 179.79 3huq h LEU 46 N 1.11 -0.04 -1.00 1.33 5.85 -0.78 -0.51 115.31 121.26 3huq h LEU 46 Ca 0.34 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.08 3huq h LEU 46 Cb -0.03 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3huq h LEU 46 CO -0.11 -0.01 0.66 0.44 -0.34 0.00 0.00 178.44 179.08 3huq h ASP 47 N -0.07 1.11 -0.70 1.25 3.32 -0.85 -0.57 116.42 119.91 3huq h ASP 47 Ca -0.01 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3huq h ASP 47 Cb 0.06 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3huq h ASP 47 CO 0.01 0.77 0.25 0.50 -1.72 0.00 0.00 179.24 179.04 3huq h LYS 48 N 1.29 1.07 -0.31 3.56 3.64 -1.01 0.20 116.57 125.01 3huq h LYS 48 Ca 0.39 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 3huq h LYS 48 Cb -0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3huq h LYS 48 CO -0.12 0.91 -0.32 0.00 -2.27 0.00 0.00 179.45 177.65 3huq h ALA 49 N 1.11 0.85 0.00 5.00 0.00 -0.13 -3.27 119.26 122.82 3huq h ALA 49 Ca 0.23 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 3huq h ALA 49 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3huq h ALA 49 CO -0.01 0.64 -1.71 -0.89 0.00 0.00 0.00 179.25 177.28 3huq n ILE 50 N -4.07 1.13 -1.02 0.00 2.08 -0.31 -4.99 119.36 112.18 3huq n ILE 50 Ca -0.01 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.59 3huq n ILE 50 Cb 0.48 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 3huq n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3huq n GLY 51 N 1.47 0.56 3.58 7.39 0.00 0.68 -5.05 105.19 113.80 3huq n GLY 51 Ca -0.14 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3huq n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3huq s ARG 52 N -2.09 1.47 -0.58 1.61 1.70 -1.12 -5.05 118.95 114.90 3huq s ARG 52 Ca 0.00 -1.01 -0.28 0.00 -0.47 0.00 0.00 55.73 53.97 3huq s ARG 52 Cb 0.00 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 3huq s ARG 52 CO 0.00 -0.62 1.16 1.21 -1.08 0.00 0.00 175.30 175.96 3huq s ASN 53 N -2.93 6.43 0.08 -2.89 3.84 -1.26 -4.33 114.94 113.88 3huq s ASN 53 Ca 0.14 0.04 0.22 0.00 0.21 0.00 0.00 52.86 53.47 3huq s ASN 53 Cb -0.01 -2.54 -0.09 0.00 -0.55 0.00 0.00 41.25 38.06 3huq s ASN 53 CO 0.02 -1.45 0.86 0.00 -2.79 0.00 0.00 177.10 173.74 3huq n ASN 55 N -2.32 0.35 0.00 0.00 4.05 -1.26 -2.20 115.26 113.88 3huq n ASN 55 Ca -0.01 -1.24 0.00 0.00 0.45 0.00 0.00 54.58 53.78 3huq n ASN 55 Cb 0.52 -1.82 0.00 0.00 1.23 0.00 0.00 39.78 39.71 3huq n ASN 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3huq n GLY 56 N -2.46 0.53 2.97 8.20 0.00 -1.26 -5.01 105.19 108.16 3huq n GLY 56 Ca -0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 3huq n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huq s VAL 57 N -2.22 0.59 0.31 1.61 1.01 -0.93 -1.71 120.40 119.05 3huq s VAL 57 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3huq s VAL 57 Cb 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 3huq s VAL 57 CO 0.00 0.18 0.06 0.27 0.00 0.00 0.00 175.10 175.62 3huq s ILE 58 N 0.10 1.09 0.51 2.22 -4.36 -0.00 -4.75 121.20 116.01 3huq s ILE 58 Ca -0.01 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 3huq s ILE 58 Cb -0.06 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.90 3huq s ILE 58 CO -0.00 -0.01 0.76 0.42 0.24 0.00 0.00 174.94 176.35 3huq s THR 59 N -3.37 3.63 0.23 8.37 -4.23 -1.26 -4.77 115.64 114.24 3huq s THR 59 Ca 0.37 -0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.42 3huq s THR 59 Cb 0.08 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.73 3huq s THR 59 CO 0.15 -0.30 1.86 0.50 -0.54 0.00 0.00 174.62 176.28 3huq h LYS 60 N 0.16 0.93 -0.69 3.99 3.64 -1.99 -0.59 116.57 122.02 3huq h LYS 60 Ca -0.45 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3huq h LYS 60 Cb 1.26 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3huq h LYS 60 CO 0.57 0.62 0.45 -0.44 -2.27 0.00 0.00 179.45 178.39 3huq h ASP 61 N 0.96 0.79 -0.54 4.20 3.32 -1.99 0.19 116.42 123.35 3huq h ASP 61 Ca 0.33 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 3huq h ASP 61 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3huq h ASP 61 CO -0.13 0.57 0.08 -0.33 -1.72 0.00 0.00 179.24 177.71 3huq h GLU 62 N 0.93 0.89 -0.68 3.56 5.08 -1.80 -0.52 114.58 122.03 3huq h GLU 62 Ca 0.25 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3huq h GLU 62 Cb -0.10 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3huq h GLU 62 CO -0.06 0.87 0.43 0.00 -1.00 0.00 0.00 179.01 179.25 3huq h ALA 63 N 0.98 0.88 -0.08 3.43 0.00 -0.69 -1.51 119.26 122.27 3huq h ALA 63 Ca 0.16 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3huq h ALA 63 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3huq h ALA 63 CO 0.01 0.21 -0.41 0.93 0.00 0.00 0.00 179.25 179.99 3huq h GLU 64 N 0.85 0.18 -0.23 0.00 5.08 -0.67 -1.03 114.58 118.76 3huq h GLU 64 Ca 0.27 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3huq h GLU 64 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3huq h GLU 64 CO -0.09 0.57 0.03 -0.22 -1.00 0.00 0.00 179.01 178.30 3huq h LYS 65 N 0.15 0.39 -0.90 2.33 3.64 -0.60 -0.29 116.57 121.29 3huq h LYS 65 Ca 0.01 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3huq h LYS 65 Cb 0.80 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3huq h LYS 65 CO 0.06 0.53 0.59 -0.07 -2.27 0.00 0.00 179.45 178.28 3huq h LEU 66 N 0.19 1.04 -0.40 5.20 3.38 -1.10 -1.73 115.31 121.89 3huq h LEU 66 Ca 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3huq h LEU 66 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3huq h LEU 66 CO 0.01 0.76 0.12 0.15 0.09 0.00 0.00 178.44 179.57 3huq h PHE 67 N 1.22 0.65 -0.62 1.13 3.57 -0.92 0.17 116.94 122.14 3huq h PHE 67 Ca 0.33 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3huq h PHE 67 Cb -0.13 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 3huq h PHE 67 CO 0.00 0.60 0.39 -0.97 -2.23 0.00 0.00 178.31 176.10 3huq h ASN 68 N 0.50 0.73 -0.59 0.41 -0.73 -0.71 0.33 115.58 115.52 3huq h ASN 68 Ca 0.13 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 3huq h ASN 68 Cb 0.26 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 3huq h ASN 68 CO -0.00 0.56 0.26 1.56 -0.37 0.00 0.00 177.43 179.44 3huq h GLN 69 N 0.84 0.87 -0.41 6.67 4.20 -0.97 -1.77 115.11 124.54 3huq h GLN 69 Ca 0.22 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 3huq h GLN 69 Cb -0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3huq h GLN 69 CO -0.04 0.72 -0.24 -0.44 -0.67 0.00 0.00 178.83 178.15 3huq h ASP 70 N 0.81 0.93 -0.22 1.46 3.32 -0.16 -0.15 116.42 122.42 3huq h ASP 70 Ca 0.20 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 3huq h ASP 70 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3huq h ASP 70 CO -0.02 1.14 0.06 0.58 -1.72 0.00 0.00 179.24 179.28 3huq h VAL 71 N 0.72 1.21 -0.25 -1.35 2.07 -0.89 -0.63 116.25 117.12 3huq h VAL 71 Ca 0.09 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3huq h VAL 71 Cb 0.81 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3huq h VAL 71 CO 0.07 0.21 0.06 -0.78 0.02 0.00 0.00 177.57 177.14 3huq h ASP 72 N 0.18 0.03 -0.41 0.57 3.58 -1.19 -1.35 116.42 117.83 3huq h ASP 72 Ca 0.07 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3huq h ASP 72 Cb 0.27 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3huq h ASP 72 CO 0.00 0.05 0.14 0.00 -2.88 0.00 0.00 179.24 176.55 3huq h ALA 73 N 1.17 1.36 0.06 -0.78 0.00 -0.94 -0.86 119.26 119.27 3huq h ALA 73 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3huq h ALA 73 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3huq h ALA 73 CO -0.14 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.55 3huq h ALA 74 N 1.47 -0.08 -0.14 0.00 0.00 -0.50 0.02 119.26 120.03 3huq h ALA 74 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3huq h ALA 74 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3huq h ALA 74 CO -0.01 -0.49 0.07 0.28 0.00 0.00 0.00 179.25 179.10 3huq h VAL 75 N -0.18 1.00 -0.60 0.00 2.07 -1.06 -1.93 116.25 115.56 3huq h VAL 75 Ca -0.01 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3huq h VAL 75 Cb 0.15 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3huq h VAL 75 CO 0.01 0.03 0.20 0.03 0.02 0.00 0.00 177.57 177.86 3huq h ARG 76 N 0.15 0.90 -0.62 1.57 2.47 -1.11 -1.95 114.38 115.80 3huq h ARG 76 Ca 0.06 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3huq h ARG 76 Cb 0.01 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 3huq h ARG 76 CO -0.04 0.77 0.39 0.78 0.56 0.00 0.00 179.97 182.43 3huq h GLY 77 N 1.00 0.89 0.55 0.04 0.00 -0.71 -1.19 103.07 103.65 3huq h GLY 77 Ca 0.20 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.23 3huq h GLY 77 CO -0.01 0.34 0.01 -2.22 0.00 0.00 0.00 176.54 174.66 3huq h ILE 78 N 0.84 0.79 0.00 2.60 2.04 -0.73 -1.70 117.51 121.36 3huq h ILE 78 Ca 0.22 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 3huq h ILE 78 Cb -0.05 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3huq h ILE 78 CO -0.04 0.02 -0.16 -0.07 0.00 0.00 0.00 178.15 177.90 3huq h LEU 79 N 0.10 0.00 -0.19 1.44 3.38 -0.91 -1.77 115.31 117.36 3huq h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3huq h LEU 79 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3huq h LEU 79 CO -0.23 0.16 -0.18 0.54 0.09 0.00 0.00 178.44 178.81 3huq n ARG 80 N -4.12 0.48 -3.44 1.13 1.74 -0.49 -4.76 116.66 107.21 3huq n ARG 80 Ca -0.02 -0.19 -0.39 0.00 -0.77 0.00 0.00 57.85 56.47 3huq n ARG 80 Cb 0.23 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 3huq n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3huq s ASN 81 N -2.65 6.18 0.49 0.55 3.84 -0.67 -4.97 114.94 117.70 3huq s ASN 81 Ca 0.23 0.06 0.22 0.00 0.21 0.00 0.00 52.86 53.58 3huq s ASN 81 Cb 0.19 -2.19 1.26 0.00 -0.55 0.00 0.00 41.25 39.97 3huq s ASN 81 CO 0.53 -0.20 2.04 0.00 -2.79 0.00 0.00 177.10 176.67 3huq h ALA 82 N 8.31 1.44 0.14 1.71 0.00 -1.87 0.43 119.26 129.42 3huq h ALA 82 Ca -0.32 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 3huq h ALA 82 Cb 1.16 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3huq h ALA 82 CO 0.64 0.19 -1.30 0.87 0.00 0.00 0.00 179.25 179.65 3huq h LYS 83 N 0.00 0.30 0.10 0.00 1.57 -1.93 -3.39 116.57 113.21 3huq h LYS 83 Ca -0.00 -0.51 -0.33 0.00 -1.87 0.00 0.00 60.65 57.94 3huq h LYS 83 Cb 0.34 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3huq h LYS 83 CO 0.02 1.23 -1.79 -0.07 -0.57 0.00 0.00 179.45 178.27 3huq h LEU 84 N 0.08 0.32 -0.22 2.94 3.38 -1.68 -3.39 115.31 116.74 3huq h LEU 84 Ca -0.16 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.26 3huq h LEU 84 Cb 2.00 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.58 3huq h LEU 84 CO 0.21 1.54 -0.18 0.50 0.09 0.00 0.00 178.44 180.59 3huq h LYS 85 N 0.06 -0.18 -0.38 1.13 3.64 -0.86 0.21 116.57 120.18 3huq h LYS 85 Ca -0.34 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 3huq h LYS 85 Cb 2.03 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.87 3huq h LYS 85 CO 0.11 -0.12 0.15 -1.00 -2.27 0.00 0.00 179.45 176.33 3huq h PRO 86 N -0.19 0.54 -0.08 1.90 0.13 -1.78 0.71 132.00 133.23 3huq h PRO 86 Ca 0.13 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 3huq h PRO 86 Cb 0.38 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 3huq h PRO 86 CO -0.33 0.45 -0.05 0.28 -0.23 0.00 0.00 178.00 178.11 3huq h VAL 87 N 0.54 1.34 -0.33 1.56 2.07 -1.60 -2.20 116.25 117.63 3huq h VAL 87 Ca 0.13 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3huq h VAL 87 Cb 0.11 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3huq h VAL 87 CO -0.01 0.31 0.07 0.22 0.02 0.00 0.00 177.57 178.17 3huq h TYR 88 N -0.21 0.12 0.00 1.57 3.20 -0.62 -1.75 116.97 119.27 3huq h TYR 88 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3huq h TYR 88 Cb 0.52 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3huq h TYR 88 CO 0.07 0.03 -0.05 -0.44 -1.64 0.00 0.00 178.16 176.14 3huq h ASP 89 N 0.19 0.00 1.58 -2.11 3.32 -0.84 -1.65 116.42 116.90 3huq h ASP 89 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3huq h ASP 89 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3huq h ASP 89 CO -0.20 0.05 0.00 0.77 -1.72 0.00 0.00 179.24 178.14 3huq h SER 90 N 0.00 0.00 -3.78 6.45 4.64 -0.66 -3.46 113.55 116.74 3huq h SER 90 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3huq h SER 90 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3huq h SER 90 CO 0.01 0.00 0.15 -0.76 -0.87 0.00 0.00 176.83 175.36 3huq s LEU 91 N -5.78 3.85 0.98 5.97 1.43 -0.62 -5.07 118.68 119.44 3huq s LEU 91 Ca 0.06 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 3huq s LEU 91 Cb 0.08 -4.11 0.18 0.00 0.03 0.00 0.00 46.19 42.37 3huq s LEU 91 CO 0.61 -0.38 1.10 1.51 0.23 0.00 0.00 176.35 179.42 3huq s ASP 92 N -2.94 2.82 0.27 2.29 1.47 -1.26 -4.80 116.67 114.53 3huq s ASP 92 Ca 0.53 1.12 -0.04 0.00 1.18 0.00 0.00 52.55 55.33 3huq s ASP 92 Cb -0.10 -1.76 0.33 0.00 -0.34 0.00 0.00 42.92 41.05 3huq s ASP 92 CO 0.28 -3.00 1.93 0.00 0.68 0.00 0.00 175.17 175.06 3huq h ALA 93 N -1.80 1.31 -0.15 2.11 0.00 -1.97 -0.44 119.26 118.31 3huq h ALA 93 Ca -0.54 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 3huq h ALA 93 Cb 1.33 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3huq h ALA 93 CO 0.59 0.61 -0.17 0.28 0.00 0.00 0.00 179.25 180.56 3huq h VAL 94 N 1.22 1.35 -0.03 0.00 2.07 -1.94 -2.77 116.25 116.15 3huq h VAL 94 Ca 0.32 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 3huq h VAL 94 Cb -0.09 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3huq h VAL 94 CO -0.06 0.40 -0.30 0.03 0.02 0.00 0.00 177.57 177.65 3huq h ARG 95 N 0.02 0.06 -0.86 1.57 3.08 -1.76 -1.20 114.38 115.29 3huq h ARG 95 Ca 0.02 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3huq h ARG 95 Cb 0.71 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3huq h ARG 95 CO 0.04 0.36 0.56 0.00 -1.07 0.00 0.00 179.97 179.86 3huq h ARG 96 N 0.05 0.97 -0.80 0.04 3.08 -0.96 -1.61 114.38 115.16 3huq h ARG 96 Ca 0.01 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3huq h ARG 96 Cb 0.56 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3huq h ARG 96 CO 0.04 0.64 0.38 0.00 -1.07 0.00 0.00 179.97 179.97 3huq h ALA 98 N 1.20 1.18 -0.37 0.00 0.00 -1.01 -0.52 119.26 119.74 3huq h ALA 98 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3huq h ALA 98 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3huq h ALA 98 CO -0.03 0.56 0.16 0.00 0.00 0.00 0.00 179.25 179.94 3huq h ALA 99 N 1.34 0.47 -0.63 0.00 0.00 -0.76 -0.99 119.26 118.70 3huq h ALA 99 Ca 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3huq h ALA 99 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3huq h ALA 99 CO -0.08 0.05 0.36 0.82 0.00 0.00 0.00 179.25 180.41 3huq h ILE 100 N 0.45 1.20 -0.15 0.00 2.04 -0.84 -1.56 117.51 118.65 3huq h ILE 100 Ca 0.12 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.53 3huq h ILE 100 Cb 0.15 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3huq h ILE 100 CO -0.01 0.21 0.00 -1.13 0.00 0.00 0.00 178.15 177.22 3huq h ASN 101 N 0.86 -0.05 -0.49 1.72 -0.73 -0.84 0.19 115.58 116.25 3huq h ASN 101 Ca 0.22 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 3huq h ASN 101 Cb 0.02 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 3huq h ASN 101 CO -0.04 -0.00 0.29 -0.61 -0.37 0.00 0.00 177.43 176.70 3huq h GLN 102 N 0.06 0.66 -0.65 6.67 4.15 -0.95 -1.25 115.11 123.80 3huq h GLN 102 Ca 0.07 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 3huq h GLN 102 Cb 0.08 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3huq h GLN 102 CO -0.11 0.49 0.07 0.28 -1.93 0.00 0.00 178.83 177.63 3huq h VAL 103 N 0.65 1.26 -0.69 2.39 2.07 -1.00 -0.14 116.25 120.79 3huq h VAL 103 Ca 0.17 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.68 3huq h VAL 103 Cb -0.00 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3huq h VAL 103 CO -0.03 0.40 0.39 0.15 0.02 0.00 0.00 177.57 178.50 3huq h PHE 104 N 1.01 0.71 -0.04 1.57 3.57 -0.23 0.40 116.94 123.94 3huq h PHE 104 Ca 0.19 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3huq h PHE 104 Cb 0.48 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.01 3huq h PHE 104 CO 0.03 0.34 -0.37 0.37 -2.23 0.00 0.00 178.31 176.45 3huq h GLN 105 N 0.71 0.32 -0.01 1.11 4.15 -0.80 -3.38 115.11 117.21 3huq h GLN 105 Ca 0.31 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3huq h GLN 105 Cb 0.20 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3huq h GLN 105 CO -0.19 0.96 -0.27 0.00 -1.93 0.00 0.00 178.83 177.40 3huq n MET 106 N -4.39 2.52 -0.47 1.69 0.00 -0.10 -5.11 117.12 111.26 3huq n MET 106 Ca -0.09 -0.45 0.06 0.00 0.00 0.00 0.00 57.70 57.22 3huq n MET 106 Cb 0.54 -1.05 -0.02 0.00 0.00 0.00 0.00 33.22 32.69 3huq n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3huq n GLY 107 N 0.98 -1.83 0.14 3.17 0.00 0.14 -2.61 105.19 105.19 3huq n GLY 107 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3huq n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3huq h GLU 108 N -0.44 0.00 -0.68 1.61 5.08 -1.95 -2.24 114.58 115.96 3huq h GLU 108 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3huq h GLU 108 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3huq h GLU 108 CO 0.01 0.59 0.39 1.79 -1.00 0.00 0.00 179.01 180.79 3huq h THR 109 N 0.00 1.21 -0.24 1.13 1.35 -1.98 -1.54 112.91 112.84 3huq h THR 109 Ca -0.01 -0.50 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 3huq h THR 109 Cb 1.15 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3huq h THR 109 CO 0.08 0.22 0.11 1.23 -0.25 0.00 0.00 175.52 176.91 3huq h GLY 110 N 0.93 0.37 2.00 5.82 0.00 -1.24 -2.88 103.07 108.08 3huq h GLY 110 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3huq h GLY 110 CO -0.04 0.18 0.00 -2.08 0.00 0.00 0.00 176.54 174.59 3huq h VAL 111 N 0.25 0.00 0.00 4.60 2.07 -1.29 -2.85 116.25 119.04 3huq h VAL 111 Ca 0.08 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3huq h VAL 111 Cb 0.12 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3huq h VAL 111 CO -0.01 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.51 3huq h ALA 112 N 2.30 1.46 0.00 1.67 0.00 -1.04 -1.11 119.26 122.54 3huq h ALA 112 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3huq h ALA 112 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3huq h ALA 112 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3huq n GLY 113 N -1.04 -0.73 1.50 0.00 0.00 -1.08 -3.89 105.19 99.96 3huq n GLY 113 Ca -0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 3huq n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huq n PHE 114 N -1.10 1.75 -0.24 1.61 3.01 -0.42 -4.74 117.46 117.32 3huq n PHE 114 Ca 0.13 -1.47 0.02 0.00 1.01 0.00 0.00 57.45 57.13 3huq n PHE 114 Cb 0.10 -0.60 0.10 0.00 -0.01 0.00 0.00 39.48 39.06 3huq n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3huq h THR 115 N 1.42 0.31 -0.42 4.37 2.02 -1.78 0.79 112.91 119.63 3huq h THR 115 Ca 0.29 -0.01 -0.15 0.00 0.77 0.00 0.00 66.41 67.31 3huq h THR 115 Cb 2.02 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3huq h THR 115 CO 0.58 0.00 -0.32 0.78 0.37 0.00 0.00 175.52 176.94 3huq h ASN 116 N 0.02 0.99 -0.47 4.18 -0.26 -1.95 -1.63 115.58 116.47 3huq h ASN 116 Ca 0.35 -0.42 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 3huq h ASN 116 Cb 0.56 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 3huq h ASN 116 CO -0.71 1.22 0.22 0.28 -1.06 0.00 0.00 177.43 177.38 3huq h SER 117 N 0.79 0.61 -0.61 5.81 0.02 -1.66 -2.16 113.55 116.35 3huq h SER 117 Ca 0.08 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3huq h SER 117 Cb 0.91 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3huq h SER 117 CO 0.08 0.57 0.38 -0.07 -1.14 0.00 0.00 176.83 176.65 3huq h LEU 118 N 0.61 0.62 -0.33 5.07 3.38 -0.69 0.44 115.31 124.40 3huq h LEU 118 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3huq h LEU 118 Cb 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3huq h LEU 118 CO -0.02 0.43 0.18 -0.09 0.09 0.00 0.00 178.44 179.03 3huq h ARG 119 N 0.74 0.46 -0.80 1.13 2.43 -1.14 0.22 114.38 117.43 3huq h ARG 119 Ca 0.25 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3huq h ARG 119 Cb 0.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3huq h ARG 119 CO -0.10 0.39 0.37 0.52 -1.51 0.00 0.00 179.97 179.64 3huq h MET 120 N 0.41 1.16 -0.41 0.20 2.86 -0.93 -0.19 114.93 118.03 3huq h MET 120 Ca 0.12 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3huq h MET 120 Cb 0.07 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3huq h MET 120 CO -0.02 0.90 0.20 -0.07 1.06 0.00 0.00 176.91 178.98 3huq h LEU 121 N 1.14 0.54 -1.34 1.22 3.38 -0.63 -0.89 115.31 118.73 3huq h LEU 121 Ca 0.27 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3huq h LEU 121 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3huq h LEU 121 CO -0.03 0.51 0.01 -0.61 0.09 0.00 0.00 178.44 178.41 3huq h GLN 122 N 0.53 0.46 0.00 1.13 4.15 -0.47 -0.67 115.11 120.24 3huq h GLN 122 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3huq h GLN 122 Cb 0.12 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3huq h GLN 122 CO -0.02 0.47 0.00 1.04 -1.93 0.00 0.00 178.83 178.40 3huq n GLN 123 N -4.31 0.19 -3.00 1.69 6.02 -0.13 -4.90 117.38 112.94 3huq n GLN 123 Ca 0.01 0.07 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 3huq n GLN 123 Cb 0.22 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.01 3huq n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3huq n LYS 124 N -1.38 -4.82 -2.87 -1.09 5.02 -0.26 -4.92 118.16 107.83 3huq n LYS 124 Ca 0.09 0.88 -0.44 0.00 -2.02 0.00 0.00 58.31 56.82 3huq n LYS 124 Cb 0.24 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.58 3huq n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3huq n ARG 125 N -3.94 3.64 -0.15 1.97 1.74 -0.43 -4.89 116.66 114.59 3huq n ARG 125 Ca -0.11 -3.99 -0.10 0.00 -0.77 0.00 0.00 57.85 52.89 3huq n ARG 125 Cb 0.62 -2.83 -0.00 0.00 -1.02 0.00 0.00 32.46 29.22 3huq n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3huq h TRP 126 N 6.41 0.78 -0.40 -1.55 -0.00 -1.88 0.39 115.95 119.70 3huq h TRP 126 Ca 0.29 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.89 58.93 3huq h TRP 126 Cb 0.77 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.71 3huq h TRP 126 CO 1.06 0.74 -0.34 -0.44 -0.00 0.00 0.00 178.44 179.46 3huq h ASP 127 N 0.60 0.98 -0.55 -3.49 5.19 -1.90 -1.32 116.42 115.92 3huq h ASP 127 Ca 0.14 -0.42 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 3huq h ASP 127 Cb 0.38 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3huq h ASP 127 CO 0.01 1.22 0.22 -0.33 -3.12 0.00 0.00 179.24 177.24 3huq h GLU 128 N 0.77 0.83 -0.59 3.56 5.08 -1.92 -1.39 114.58 120.91 3huq h GLU 128 Ca 0.07 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3huq h GLU 128 Cb 0.92 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3huq h GLU 128 CO 0.09 0.72 0.37 0.00 -1.00 0.00 0.00 179.01 179.18 3huq h ALA 129 N 1.07 0.75 -0.72 3.43 0.00 -0.79 -1.15 119.26 121.86 3huq h ALA 129 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3huq h ALA 129 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3huq h ALA 129 CO -0.02 0.22 0.35 0.00 0.00 0.00 0.00 179.25 179.80 3huq h ALA 130 N 1.19 0.93 -0.40 0.00 0.00 -0.95 0.13 119.26 120.16 3huq h ALA 130 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3huq h ALA 130 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3huq h ALA 130 CO -0.04 0.49 0.22 0.28 0.00 0.00 0.00 179.25 180.19 3huq h VAL 131 N 1.00 1.15 -0.61 0.00 2.07 -0.91 -2.88 116.25 116.08 3huq h VAL 131 Ca 0.25 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3huq h VAL 131 Cb 0.12 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3huq h VAL 131 CO -0.03 0.16 0.01 -1.13 0.02 0.00 0.00 177.57 176.60 3huq h ASN 132 N 0.52 1.03 -0.54 0.57 -0.73 -0.73 -2.94 115.58 112.76 3huq h ASN 132 Ca 0.14 -0.28 0.02 0.00 1.87 0.00 0.00 56.30 58.05 3huq h ASN 132 Cb 0.06 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 3huq h ASN 132 CO -0.02 1.07 0.35 -0.07 -0.37 0.00 0.00 177.43 178.40 3huq h LEU 133 N 0.97 0.57 -0.38 0.34 3.38 -0.62 -2.20 115.31 117.38 3huq h LEU 133 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3huq h LEU 133 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3huq h LEU 133 CO 0.03 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3huq h ALA 134 N 1.68 1.00 -0.53 1.53 0.00 -1.32 -3.36 119.26 118.26 3huq h ALA 134 Ca 0.21 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.38 3huq h ALA 134 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3huq h ALA 134 CO -0.05 0.00 2.53 1.63 0.00 0.00 0.00 179.25 183.36 3huq n LYS 135 N -2.40 3.42 -3.63 0.00 5.02 -0.83 -4.66 118.16 115.08 3huq n LYS 135 Ca 0.04 -3.13 -0.14 0.00 -2.02 0.00 0.00 58.31 53.05 3huq n LYS 135 Cb 0.36 -3.03 -0.06 0.00 -0.02 0.00 0.00 35.03 32.28 3huq n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3huq s SER 136 N 1.69 -0.39 0.24 4.39 1.04 -1.26 -5.01 113.70 114.40 3huq s SER 136 Ca 0.45 0.23 -0.05 0.00 0.48 0.00 0.00 55.95 57.06 3huq s SER 136 Cb 0.12 0.44 0.39 0.00 0.10 0.00 0.00 66.02 67.08 3huq s SER 136 CO -0.04 -0.62 1.80 -0.09 0.98 0.00 0.00 173.24 175.27 3huq h ARG 137 N 3.13 0.72 -0.33 4.02 2.43 -1.93 -2.03 114.38 120.39 3huq h ARG 137 Ca -0.30 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.90 3huq h ARG 137 Cb 1.19 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.49 3huq h ARG 137 CO 0.41 0.48 -0.35 2.35 -1.51 0.00 0.00 179.97 181.34 3huq h TRP 138 N 0.74 -0.99 -0.58 2.20 7.01 -1.95 0.74 115.95 123.12 3huq h TRP 138 Ca 0.39 0.06 -0.11 0.00 2.11 0.00 0.00 58.89 61.34 3huq h TRP 138 Cb 0.38 0.48 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 3huq h TRP 138 CO -0.07 -0.41 -0.06 -0.92 -2.79 0.00 0.00 178.44 174.19 3huq h TYR 139 N -0.32 1.18 -0.28 2.65 3.20 -1.75 -1.17 116.97 120.49 3huq h TYR 139 Ca 0.14 -0.23 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 3huq h TYR 139 Cb 0.56 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3huq h TYR 139 CO -0.52 1.06 -0.11 -0.91 -1.64 0.00 0.00 178.16 176.03 3huq h ASN 140 N 0.96 0.44 0.49 -2.11 2.35 -0.64 -0.95 115.58 116.11 3huq h ASN 140 Ca 0.16 -0.11 -0.30 0.00 -0.55 0.00 0.00 56.30 55.50 3huq h ASN 140 Cb 0.63 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3huq h ASN 140 CO 0.04 0.59 -1.50 1.56 -1.65 0.00 0.00 177.43 176.48 3huq h GLN 141 N 0.43 0.23 -2.11 0.81 1.08 -0.74 -3.39 115.11 111.44 3huq h GLN 141 Ca 0.08 -0.40 -0.58 0.00 -1.45 0.00 0.00 58.65 56.30 3huq h GLN 141 Cb 0.46 0.15 -0.41 0.00 -0.05 0.00 0.00 27.48 27.63 3huq h GLN 141 CO 0.03 1.10 -0.83 0.25 -0.95 0.00 0.00 178.83 178.42 3huq n THR 142 N -3.44 1.02 -0.06 -0.54 -2.24 -0.45 -4.98 114.28 103.59 3huq n THR 142 Ca -0.15 -4.71 -0.06 0.00 -2.27 0.00 0.00 64.05 56.85 3huq n THR 142 Cb 1.04 -1.95 0.12 0.00 -2.10 0.00 0.00 70.33 67.44 3huq n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3huq h PRO 143 N 4.01 0.69 -0.32 -0.78 0.13 -1.37 0.00 132.00 134.36 3huq h PRO 143 Ca 0.14 -0.27 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 3huq h PRO 143 Cb 0.76 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3huq h PRO 143 CO 0.67 0.86 -0.41 -0.44 -0.23 0.00 0.00 178.00 178.45 3huq h ASP 144 N 0.61 0.91 -0.20 1.44 3.32 -1.94 0.33 116.42 120.89 3huq h ASP 144 Ca 0.09 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 3huq h ASP 144 Cb 0.71 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3huq h ASP 144 CO 0.05 1.22 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.63 3huq h ARG 145 N 0.63 0.40 -0.94 3.56 2.43 -1.95 -2.76 114.38 115.76 3huq h ARG 145 Ca 0.04 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3huq h ARG 145 Cb 1.00 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 3huq h ARG 145 CO 0.10 0.68 0.61 0.00 -1.51 0.00 0.00 179.97 179.85 3huq h ALA 146 N 0.71 1.32 -0.85 2.80 0.00 -0.92 -1.33 119.26 120.99 3huq h ALA 146 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3huq h ALA 146 Cb 0.55 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3huq h ALA 146 CO 0.03 0.63 0.55 -0.22 0.00 0.00 0.00 179.25 180.23 3huq h LYS 147 N 1.27 1.03 -0.35 0.00 3.64 -0.86 0.30 116.57 121.60 3huq h LYS 147 Ca 0.34 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3huq h LYS 147 Cb -0.13 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.44 3huq h LYS 147 CO -0.07 0.68 0.13 0.00 -2.27 0.00 0.00 179.45 177.92 3huq h ARG 148 N 1.06 0.53 -0.39 1.90 3.08 -1.03 0.02 114.38 119.54 3huq h ARG 148 Ca 0.34 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 3huq h ARG 148 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3huq h ARG 148 CO -0.12 0.53 -0.05 0.28 -1.07 0.00 0.00 179.97 179.54 3huq h VAL 149 N 0.42 1.27 -0.72 2.04 2.07 -0.81 -1.88 116.25 118.65 3huq h VAL 149 Ca 0.12 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3huq h VAL 149 Cb 0.20 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3huq h VAL 149 CO -0.01 0.37 0.32 0.40 0.02 0.00 0.00 177.57 178.67 3huq h ILE 150 N 0.54 1.24 -0.83 4.57 2.04 -0.33 -0.78 117.51 123.97 3huq h ILE 150 Ca 0.10 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3huq h ILE 150 Cb 0.55 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3huq h ILE 150 CO 0.03 0.29 0.55 0.74 0.00 0.00 0.00 178.15 179.76 3huq h THR 151 N 1.01 1.16 -0.45 -0.27 2.02 -0.77 0.25 112.91 115.86 3huq h THR 151 Ca 0.24 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3huq h THR 151 Cb 0.15 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3huq h THR 151 CO -0.03 0.19 0.14 0.74 0.37 0.00 0.00 175.52 176.94 3huq h THR 152 N 1.07 1.22 -0.41 3.16 2.02 -0.67 -0.41 112.91 118.89 3huq h THR 152 Ca 0.32 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 3huq h THR 152 Cb -0.03 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3huq h THR 152 CO -0.09 0.27 -0.05 -0.26 0.37 0.00 0.00 175.52 175.76 3huq h PHE 153 N 0.59 0.74 -0.25 3.16 0.05 -0.43 -0.02 116.94 120.78 3huq h PHE 153 Ca 0.15 -0.11 -0.19 0.00 3.82 0.00 0.00 57.97 61.64 3huq h PHE 153 Cb 0.27 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 38.02 3huq h PHE 153 CO 0.01 0.72 -0.59 -0.09 -0.18 0.00 0.00 178.31 178.18 3huq h ARG 154 N 0.64 0.85 0.00 1.51 2.43 -0.14 -3.38 114.38 116.29 3huq h ARG 154 Ca 0.12 -0.58 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3huq h ARG 154 Cb 0.47 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3huq h ARG 154 CO 0.02 1.20 -1.85 0.25 -1.51 0.00 0.00 179.97 178.09 3huq n THR 155 N -4.01 0.39 -1.90 0.20 -2.24 -0.20 -4.75 114.28 101.78 3huq n THR 155 Ca -0.05 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 3huq n THR 155 Cb 0.65 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 3huq n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huq n GLY 156 N 1.77 0.70 3.52 3.38 0.00 -0.02 -5.00 105.19 109.55 3huq n GLY 156 Ca -0.11 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3huq n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3huq s THR 157 N -2.74 1.58 -0.37 2.61 -4.23 -1.26 -4.78 115.64 106.45 3huq s THR 157 Ca 0.00 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.60 3huq s THR 157 Cb 0.00 -2.85 0.67 0.00 1.34 0.00 0.00 72.50 71.65 3huq s THR 157 CO 0.00 -0.03 1.56 0.79 -0.54 0.00 0.00 174.62 176.41 3huq n TRP 158 N -0.80 1.83 -0.18 3.99 7.02 -1.26 -4.50 117.44 123.54 3huq n TRP 158 Ca -0.04 -0.72 0.14 0.00 -1.02 0.00 0.00 57.50 55.86 3huq n TRP 158 Cb 0.66 -0.49 0.47 0.00 -2.42 0.00 0.00 31.31 29.53 3huq n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3huq h ASP 159 N 3.00 0.46 0.86 -0.99 5.19 -1.94 -0.26 116.42 122.75 3huq h ASP 159 Ca 0.06 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3huq h ASP 159 Cb 1.83 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.27 3huq h ASP 159 CO 0.47 0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.84 3huq n ALA 160 N -2.50 2.08 0.35 3.45 0.00 -1.26 -2.96 120.51 119.68 3huq n ALA 160 Ca 0.14 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.55 3huq n ALA 160 Cb 0.48 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.57 3huq n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3huq n TYR 161 N -1.59 0.00 -0.76 0.00 4.02 -0.15 -4.94 117.16 113.75 3huq n TYR 161 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3huq n TYR 161 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3huq n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48