#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqo s ASN 2 N 0.00 -0.14 0.32 6.12 2.20 -1.26 -5.02 114.94 117.16 1pqo s ASN 2 Ca 0.00 -0.80 0.05 0.00 -0.94 0.00 0.00 52.86 51.16 1pqo s ASN 2 Cb 0.00 0.73 0.68 0.00 -2.00 0.00 0.00 41.25 40.66 1pqo s ASN 2 CO 0.00 -1.39 1.86 -0.29 -2.94 0.00 0.00 177.10 174.34 1pqo h ILE 3 N 2.04 0.90 -0.14 0.54 6.09 -1.96 0.12 117.51 125.11 1pqo h ILE 3 Ca -0.23 -0.29 -0.05 0.00 -1.37 0.00 0.00 64.86 62.91 1pqo h ILE 3 Cb 1.25 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 1pqo h ILE 3 CO 0.29 0.16 -0.13 -0.26 -3.07 0.00 0.00 178.15 175.14 1pqo h PHE 4 N 0.86 0.40 0.00 2.19 -1.00 -1.98 -0.24 116.94 117.15 1pqo h PHE 4 Ca 0.46 -0.12 -0.08 0.00 2.81 0.00 0.00 57.97 61.04 1pqo h PHE 4 Cb 0.55 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1pqo h PHE 4 CO -0.00 0.72 -0.37 0.93 -1.61 0.00 0.00 178.31 177.97 1pqo h GLU 5 N -0.04 0.00 0.16 1.51 5.08 -1.83 0.17 114.58 119.63 1pqo h GLU 5 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1pqo h GLU 5 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1pqo h GLU 5 CO 0.03 0.37 -0.08 1.98 -1.00 0.00 0.00 179.01 180.32 1pqo h MET 6 N 0.00 -0.21 -0.36 2.33 4.05 -0.60 -1.93 114.93 118.22 1pqo h MET 6 Ca -0.00 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 1pqo h MET 6 Cb 0.68 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1pqo h MET 6 CO 0.05 0.12 -0.03 -0.07 0.23 0.00 0.00 176.91 177.22 1pqo h LEU 7 N -0.56 0.54 -1.47 3.39 3.38 -0.90 -1.34 115.31 118.35 1pqo h LEU 7 Ca -0.02 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1pqo h LEU 7 Cb 0.43 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1pqo h LEU 7 CO 0.04 0.63 0.37 -0.09 0.09 0.00 0.00 178.44 179.48 1pqo h ARG 8 N 0.54 0.70 -0.09 1.13 9.65 -0.55 0.27 114.38 126.03 1pqo h ARG 8 Ca 0.11 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.82 1pqo h ARG 8 Cb 0.39 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1pqo h ARG 8 CO 0.02 0.46 -0.47 0.82 2.80 0.00 0.00 179.97 183.60 1pqo h ILE 9 N 0.72 1.38 0.00 1.20 2.04 -0.47 -1.92 117.51 120.47 1pqo h ILE 9 Ca 0.21 -1.82 -0.09 0.00 1.00 0.00 0.00 64.86 64.17 1pqo h ILE 9 Cb -0.02 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1pqo h ILE 9 CO -0.05 0.54 -0.41 0.44 0.00 0.00 0.00 178.15 178.67 1pqo h ASP 10 N 0.04 0.00 0.00 1.72 3.32 -0.62 -3.32 116.42 117.56 1pqo h ASP 10 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1pqo h ASP 10 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1pqo h ASP 10 CO 0.10 0.41 -1.40 -0.62 -1.72 0.00 0.00 179.24 176.00 1pqo n GLU 11 N -3.68 0.95 -0.26 3.56 -0.58 0.89 -5.08 120.64 116.42 1pqo n GLU 11 Ca -0.01 -0.10 0.04 0.00 -0.42 0.00 0.00 57.16 56.67 1pqo n GLU 11 Cb 0.50 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 30.03 1pqo n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqo n GLY 12 N 1.53 -1.81 2.72 0.62 0.00 -0.72 -4.27 105.19 103.26 1pqo n GLY 12 Ca -0.01 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 1pqo n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pqo s LEU 13 N 0.00 0.25 -0.02 0.99 2.96 -1.26 -4.15 118.68 117.45 1pqo s LEU 13 Ca 0.00 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 1pqo s LEU 13 Cb 0.00 -0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.65 1pqo s LEU 13 CO 0.00 -0.23 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.65 1pqo s ARG 14 N 2.01 0.33 0.00 1.98 0.52 -0.33 -4.99 118.95 118.46 1pqo s ARG 14 Ca 0.02 -0.01 0.24 0.00 -0.52 0.00 0.00 55.73 55.46 1pqo s ARG 14 Cb -0.12 -0.42 0.47 0.00 0.52 0.00 0.00 34.95 35.41 1pqo s ARG 14 CO -0.03 -0.05 1.42 1.28 0.02 0.00 0.00 175.30 177.94 1pqo n LEU 15 N 3.68 2.64 -4.33 2.53 4.77 -1.26 0.55 117.00 125.57 1pqo n LEU 15 Ca -0.21 -0.95 -0.28 0.00 -0.03 0.00 0.00 56.01 54.53 1pqo n LEU 15 Cb 0.54 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1pqo n LEU 15 CO 0.24 0.48 -0.55 -0.54 -1.33 0.00 0.00 177.39 175.68 1pqo s LYS 16 N -1.89 1.49 0.26 3.23 3.01 -1.26 -1.15 119.74 123.43 1pqo s LYS 16 Ca 0.33 -1.16 -0.31 0.00 -1.01 0.00 0.00 55.97 53.82 1pqo s LYS 16 Cb 0.21 -1.77 -0.13 0.00 -1.01 0.00 0.00 37.83 35.12 1pqo s LYS 16 CO 0.31 0.44 1.39 -0.89 0.51 0.00 0.00 175.35 177.11 1pqo n ILE 17 N 1.41 1.12 -4.09 2.17 5.41 -0.83 -4.70 119.36 119.85 1pqo n ILE 17 Ca -0.18 -0.28 -0.11 0.00 1.00 0.00 0.00 62.75 63.18 1pqo n ILE 17 Cb 0.53 -1.51 -0.07 0.00 -0.71 0.00 0.00 39.64 37.88 1pqo n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1pqo s TYR 18 N -0.22 0.75 -0.12 1.39 -0.85 0.13 -4.94 117.35 113.49 1pqo s TYR 18 Ca 0.66 -1.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.07 1pqo s TYR 18 Cb -0.63 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 41.53 1pqo s TYR 18 CO 0.52 -0.87 0.20 0.15 -1.52 0.00 0.00 175.55 174.02 1pqo s LYS 19 N -3.97 3.75 0.06 -3.49 1.02 -1.26 0.15 119.74 116.00 1pqo s LYS 19 Ca 0.30 -0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.25 1pqo s LYS 19 Cb 0.02 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1pqo s LYS 19 CO 0.12 0.61 0.08 -0.40 -0.92 0.00 0.00 175.35 174.84 1pqo n ASP 20 N 2.42 -0.25 0.30 2.83 3.85 0.26 -4.77 116.55 121.20 1pqo n ASP 20 Ca -0.17 -0.91 0.18 0.00 -0.71 0.00 0.00 54.79 53.17 1pqo n ASP 20 Cb 0.54 -0.06 0.91 0.00 -1.35 0.00 0.00 41.12 41.16 1pqo n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1pqo h THR 21 N -1.17 0.23 -0.04 2.12 1.35 -1.98 0.28 112.91 113.69 1pqo h THR 21 Ca -0.03 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1pqo h THR 21 Cb 0.07 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1pqo h THR 21 CO 0.02 0.04 0.00 -0.62 -0.25 0.00 0.00 175.52 174.71 1pqo n GLU 22 N -3.32 1.86 -0.62 4.72 -0.58 -1.26 -4.93 120.64 116.51 1pqo n GLU 22 Ca -0.02 -1.26 0.00 0.00 -0.42 0.00 0.00 57.16 55.46 1pqo n GLU 22 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1pqo n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqo n GLY 23 N 1.23 0.64 3.78 0.62 0.00 0.09 -5.07 105.19 106.48 1pqo n GLY 23 Ca 0.18 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1pqo n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqo s TYR 24 N -2.00 3.33 -0.02 1.61 4.12 -1.26 -4.64 117.35 118.49 1pqo s TYR 24 Ca 0.00 0.27 -0.34 0.00 0.02 0.00 0.00 57.07 57.02 1pqo s TYR 24 Cb 0.00 -1.80 -0.13 0.00 -1.52 0.00 0.00 41.96 38.52 1pqo s TYR 24 CO 0.00 0.57 1.77 0.66 0.02 0.00 0.00 175.55 178.58 1pqo n TYR 25 N 1.59 2.28 -3.93 2.71 0.53 -1.24 0.92 117.16 120.02 1pqo n TYR 25 Ca -0.16 0.11 -0.09 0.00 -1.02 0.00 0.00 57.90 56.74 1pqo n TYR 25 Cb 0.53 -2.61 -0.07 0.00 -1.03 0.00 0.00 39.34 36.16 1pqo n TYR 25 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1pqo s THR 26 N 3.05 0.11 0.17 -0.72 2.01 0.40 0.01 115.64 120.67 1pqo s THR 26 Ca 0.89 -1.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 1pqo s THR 26 Cb -0.71 -1.62 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 1pqo s THR 26 CO 0.48 -0.49 0.32 -0.51 -0.69 0.00 0.00 174.62 173.73 1pqo s ILE 27 N -3.92 0.06 0.00 1.82 2.07 -0.75 0.21 121.20 120.69 1pqo s ILE 27 Ca 0.12 -1.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.05 1pqo s ILE 27 Cb 0.04 -1.82 0.00 0.00 0.13 0.00 0.00 42.46 40.82 1pqo s ILE 27 CO -0.05 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.32 1pqo n GLY 28 N -0.24 2.16 2.95 1.50 0.00 0.19 -1.25 105.19 110.50 1pqo n GLY 28 Ca -0.08 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1pqo n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pqo n ILE 29 N 0.00 3.90 -3.00 -0.61 5.41 -1.26 -1.19 119.36 122.61 1pqo n ILE 29 Ca 0.00 -5.47 -0.22 0.00 1.00 0.00 0.00 62.75 58.07 1pqo n ILE 29 Cb 0.00 -2.24 0.04 0.00 -0.71 0.00 0.00 39.64 36.73 1pqo n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pqo n GLY 30 N 1.67 -0.47 3.48 7.39 0.00 -1.25 -4.86 105.19 111.16 1pqo n GLY 30 Ca 0.25 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1pqo n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqo s HIS 31 N -3.16 2.56 0.16 1.61 5.04 -0.38 -4.93 115.29 116.19 1pqo s HIS 31 Ca 0.30 -0.38 -0.31 0.00 -1.54 0.00 0.00 55.06 53.12 1pqo s HIS 31 Cb -0.13 -4.39 -0.11 0.00 0.04 0.00 0.00 32.58 27.99 1pqo s HIS 31 CO 0.37 -1.77 1.73 -1.17 -2.34 0.00 0.00 174.74 171.56 1pqo s LEU 32 N 4.56 4.38 -0.20 8.88 2.96 -1.26 -1.81 118.68 136.19 1pqo s LEU 32 Ca 0.26 2.76 -0.08 0.00 -0.22 0.00 0.00 54.13 56.85 1pqo s LEU 32 Cb -0.14 -3.58 -0.20 0.00 0.50 0.00 0.00 46.19 42.76 1pqo s LEU 32 CO 0.12 -0.95 0.06 0.18 -1.32 0.00 0.00 176.35 174.44 1pqo n LEU 33 N 4.67 2.47 -3.55 -0.68 4.77 0.10 -4.95 117.00 119.83 1pqo n LEU 33 Ca 0.16 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.25 1pqo n LEU 33 Cb 0.37 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 1pqo n LEU 33 CO 0.64 0.72 0.83 0.28 -1.33 0.00 0.00 177.39 178.53 1pqo s THR 34 N -2.50 0.00 -2.47 -5.08 -1.32 -1.20 -4.91 115.64 98.15 1pqo s THR 34 Ca -0.30 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.46 1pqo s THR 34 Cb 0.08 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.61 1pqo s THR 34 CO 0.65 0.00 1.72 0.29 -2.21 0.00 0.00 174.62 175.07 1pqo n LYS 35 N 0.02 1.67 -2.20 7.08 5.02 -1.26 -3.62 118.16 124.87 1pqo n LYS 35 Ca -0.06 -0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 54.84 1pqo n LYS 35 Cb 0.60 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1pqo n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pqo s SER 36 N -1.95 6.88 0.00 4.39 0.15 -1.26 -4.91 113.70 116.99 1pqo s SER 36 Ca 0.37 2.48 0.28 0.00 0.70 0.00 0.00 55.95 59.79 1pqo s SER 36 Cb 0.21 -2.62 1.61 0.00 -1.71 0.00 0.00 66.02 63.51 1pqo s SER 36 CO 0.33 -0.51 2.02 -0.81 1.20 0.00 0.00 173.24 175.46 1pqo n PRO 37 N 2.06 0.74 -3.23 5.44 -0.04 -1.26 -4.63 135.00 134.08 1pqo n PRO 37 Ca 0.04 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1pqo n PRO 37 Cb 0.42 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1pqo n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pqo s SER 38 N -2.17 6.33 0.31 3.54 0.15 -1.26 -4.94 113.70 115.65 1pqo s SER 38 Ca 0.38 -0.00 -0.00 0.00 0.70 0.00 0.00 55.95 57.03 1pqo s SER 38 Cb 0.19 -2.27 0.49 0.00 -1.71 0.00 0.00 66.02 62.72 1pqo s SER 38 CO 0.36 -0.48 1.90 0.25 1.20 0.00 0.00 173.24 176.46 1pqo h LEU 39 N 9.10 0.77 -0.98 3.45 5.85 -1.99 -0.52 115.31 130.99 1pqo h LEU 39 Ca -0.28 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1pqo h LEU 39 Cb 1.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1pqo h LEU 39 CO 0.78 0.67 0.24 0.78 -0.34 0.00 0.00 178.44 180.57 1pqo h ASN 40 N 0.84 0.90 -0.65 1.25 4.21 -1.97 0.12 115.58 120.27 1pqo h ASN 40 Ca 0.20 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.59 1pqo h ASN 40 Cb 0.13 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.06 1pqo h ASN 40 CO -0.02 0.82 0.43 0.00 -1.29 0.00 0.00 177.43 177.37 1pqo h ALA 41 N 1.31 0.83 -0.52 -0.83 0.00 -1.52 0.92 119.26 119.45 1pqo h ALA 41 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1pqo h ALA 41 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1pqo h ALA 41 CO -0.02 0.25 0.04 0.00 0.00 0.00 0.00 179.25 179.53 1pqo h ALA 42 N 1.24 1.11 -0.37 0.00 0.00 -0.55 -0.92 119.26 119.77 1pqo h ALA 42 Ca 0.24 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1pqo h ALA 42 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1pqo h ALA 42 CO -0.06 0.58 -0.19 0.87 0.00 0.00 0.00 179.25 180.45 1pqo h LYS 43 N 0.79 0.71 -0.54 0.00 1.57 -0.02 0.21 116.57 119.29 1pqo h LYS 43 Ca 0.16 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1pqo h LYS 43 Cb 0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1pqo h LYS 43 CO 0.01 0.85 -0.04 1.03 -0.57 0.00 0.00 179.45 180.73 1pqo h SER 44 N 0.63 0.97 -0.60 0.86 0.87 0.08 -2.15 113.55 114.20 1pqo h SER 44 Ca 0.10 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 1pqo h SER 44 Cb 0.67 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1pqo h SER 44 CO 0.05 1.06 0.15 -0.33 -0.53 0.00 0.00 176.83 177.23 1pqo h GLU 45 N 0.85 0.99 -0.15 2.24 4.39 -0.84 -2.49 114.58 119.57 1pqo h GLU 45 Ca 0.15 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1pqo h GLU 45 Cb 0.59 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1pqo h GLU 45 CO 0.04 0.88 0.07 1.25 -1.16 0.00 0.00 179.01 180.09 1pqo h LEU 46 N 0.94 0.20 -0.78 1.33 5.85 -0.61 -0.04 115.31 122.21 1pqo h LEU 46 Ca 0.20 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1pqo h LEU 46 Cb 0.33 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1pqo h LEU 46 CO -0.00 0.26 0.51 0.44 -0.34 0.00 0.00 178.44 179.31 1pqo h ASP 47 N 0.12 0.87 -0.43 1.25 3.32 -1.33 -0.16 116.42 120.06 1pqo h ASP 47 Ca 0.05 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1pqo h ASP 47 Cb 0.11 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1pqo h ASP 47 CO -0.01 0.62 0.20 0.50 -1.72 0.00 0.00 179.24 178.83 1pqo h LYS 48 N 1.03 0.63 -0.70 3.56 3.64 -1.32 0.56 116.57 123.98 1pqo h LYS 48 Ca 0.29 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1pqo h LYS 48 Cb -0.09 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1pqo h LYS 48 CO -0.08 0.56 0.36 0.00 -2.27 0.00 0.00 179.45 178.03 1pqo h ALA 49 N 1.04 0.89 0.01 5.00 0.00 -0.48 -3.25 119.26 122.48 1pqo h ALA 49 Ca 0.15 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1pqo h ALA 49 Cb 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1pqo h ALA 49 CO -0.02 0.43 -1.48 0.82 0.00 0.00 0.00 179.25 179.01 1pqo h ILE 50 N 0.96 1.14 0.00 0.00 1.08 -0.90 -3.49 117.51 116.30 1pqo h ILE 50 Ca 0.24 -2.93 0.00 0.00 -0.39 0.00 0.00 64.86 61.78 1pqo h ILE 50 Cb 0.07 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1pqo h ILE 50 CO -0.04 0.68 0.00 0.61 -0.69 0.00 0.00 178.15 178.72 1pqo n GLY 51 N 1.51 0.82 3.74 5.37 0.00 0.19 -5.06 105.19 111.76 1pqo n GLY 51 Ca -0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 1pqo n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pqo s ARG 52 N -0.59 1.65 -0.76 1.61 1.70 -0.95 -5.03 118.95 116.58 1pqo s ARG 52 Ca 0.00 -0.91 -0.24 0.00 -0.47 0.00 0.00 55.73 54.11 1pqo s ARG 52 Cb 0.00 0.59 0.06 0.00 -0.57 0.00 0.00 34.95 35.03 1pqo s ARG 52 CO 0.00 -0.75 1.17 1.21 -1.08 0.00 0.00 175.30 175.85 1pqo s ASN 53 N -2.90 6.25 0.06 -2.89 3.04 -1.26 -4.22 114.94 113.01 1pqo s ASN 53 Ca 0.10 -0.91 0.15 0.00 0.04 0.00 0.00 52.86 52.24 1pqo s ASN 53 Cb -0.04 -2.49 -0.14 0.00 -1.54 0.00 0.00 41.25 37.03 1pqo s ASN 53 CO 0.03 -1.58 0.85 0.71 -3.04 0.00 0.00 177.10 174.06 1pqo h THR 54 N 6.09 0.63 -4.15 -5.21 1.35 -1.91 -3.49 112.91 106.22 1pqo h THR 54 Ca -0.19 -2.20 -0.33 0.00 -0.55 0.00 0.00 66.41 63.14 1pqo h THR 54 Cb 1.05 2.16 0.07 0.00 -1.73 0.00 0.00 68.15 69.71 1pqo h THR 54 CO 1.25 0.36 -0.51 -3.20 -0.25 0.00 0.00 175.52 173.16 1pqo n ASN 55 N -2.96 -5.38 -1.22 5.36 5.15 -1.26 -3.38 115.26 111.57 1pqo n ASN 55 Ca -0.10 -0.31 -0.16 0.00 -0.60 0.00 0.00 54.58 53.41 1pqo n ASN 55 Cb 0.88 -4.13 -0.07 0.00 -0.53 0.00 0.00 39.78 35.93 1pqo n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pqo n GLY 56 N -1.51 1.54 2.90 8.20 0.00 -1.26 -5.01 105.19 110.05 1pqo n GLY 56 Ca -0.05 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1pqo n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pqo s VAL 57 N -2.59 0.45 0.28 1.61 1.01 -1.22 -1.96 120.40 117.98 1pqo s VAL 57 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1pqo s VAL 57 Cb 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 1pqo s VAL 57 CO 0.00 0.18 0.04 0.27 0.00 0.00 0.00 175.10 175.59 1pqo s ILE 58 N 0.65 1.05 0.63 2.22 -4.36 -0.30 -4.84 121.20 116.24 1pqo s ILE 58 Ca -0.08 -2.02 -0.04 0.00 -0.26 0.00 0.00 60.65 58.25 1pqo s ILE 58 Cb -0.11 -2.59 0.04 0.00 1.25 0.00 0.00 42.46 41.04 1pqo s ILE 58 CO -0.00 -0.13 0.91 0.42 0.24 0.00 0.00 174.94 176.38 1pqo s THR 59 N -3.41 2.76 0.21 8.37 -4.23 -1.26 -4.76 115.64 113.32 1pqo s THR 59 Ca 0.34 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.42 1pqo s THR 59 Cb 0.07 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.94 1pqo s THR 59 CO 0.13 -0.12 1.86 0.50 -0.54 0.00 0.00 174.62 176.45 1pqo h LYS 60 N -0.29 0.98 0.08 3.99 3.64 -1.99 0.56 116.57 123.55 1pqo h LYS 60 Ca -0.44 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1pqo h LYS 60 Cb 1.30 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1pqo h LYS 60 CO 0.58 0.67 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.82 1pqo h ASP 61 N 1.00 -0.47 -0.80 4.20 3.45 -1.99 0.39 116.42 122.19 1pqo h ASP 61 Ca 0.27 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.83 1pqo h ASP 61 Cb -0.08 0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 1pqo h ASP 61 CO -0.05 -0.24 0.50 -0.33 -1.57 0.00 0.00 179.24 177.54 1pqo h GLU 62 N -0.32 0.91 -0.87 3.56 5.08 -1.78 -0.57 114.58 120.60 1pqo h GLU 62 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pqo h GLU 62 Cb 0.35 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1pqo h GLU 62 CO -0.10 0.60 0.54 0.00 -1.00 0.00 0.00 179.01 179.05 1pqo h ALA 63 N 1.36 1.10 -0.09 3.43 0.00 -0.21 -1.37 119.26 123.48 1pqo h ALA 63 Ca 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1pqo h ALA 63 Cb 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1pqo h ALA 63 CO -0.15 0.54 -0.22 0.93 0.00 0.00 0.00 179.25 180.35 1pqo h GLU 64 N 1.18 0.15 -0.04 0.00 5.08 -0.11 -0.69 114.58 120.15 1pqo h GLU 64 Ca 0.31 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1pqo h GLU 64 Cb -0.08 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1pqo h GLU 64 CO -0.06 0.37 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.09 1pqo h LYS 65 N 0.14 0.07 -0.23 2.33 3.64 -0.04 0.48 116.57 122.95 1pqo h LYS 65 Ca 0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pqo h LYS 65 Cb 0.48 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1pqo h LYS 65 CO 0.03 0.38 0.07 -0.07 -2.27 0.00 0.00 179.45 177.59 1pqo h LEU 66 N -0.24 0.29 -0.12 5.20 3.38 -1.13 -2.08 115.31 120.61 1pqo h LEU 66 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pqo h LEU 66 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1pqo h LEU 66 CO 0.00 0.29 0.06 0.15 0.09 0.00 0.00 178.44 179.04 1pqo h PHE 67 N 0.32 0.16 -0.78 1.13 -0.00 -0.65 0.42 116.94 117.54 1pqo h PHE 67 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.05 1pqo h PHE 67 Cb 0.11 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.95 35.97 1pqo h PHE 67 CO 0.00 0.19 0.50 -0.97 -0.00 0.00 0.00 178.31 178.03 1pqo h ASN 68 N 0.09 0.92 -0.73 0.41 -0.73 -0.58 -0.54 115.58 114.42 1pqo h ASN 68 Ca 0.04 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 1pqo h ASN 68 Cb 0.08 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.41 1pqo h ASN 68 CO -0.01 0.69 0.32 1.56 -0.37 0.00 0.00 177.43 179.62 1pqo h GLN 69 N 1.07 1.07 -0.50 6.67 4.20 -0.96 -1.30 115.11 125.35 1pqo h GLN 69 Ca 0.28 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1pqo h GLN 69 Cb -0.09 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1pqo h GLN 69 CO -0.06 0.86 0.11 -0.44 -0.67 0.00 0.00 178.83 178.63 1pqo h ASP 70 N 1.03 0.77 0.22 1.46 3.45 0.35 0.01 116.42 123.70 1pqo h ASP 70 Ca 0.25 -0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1pqo h ASP 70 Cb 0.16 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1pqo h ASP 70 CO -0.03 0.81 -0.10 0.58 -1.57 0.00 0.00 179.24 178.93 1pqo h VAL 71 N 0.69 0.84 -0.58 -1.35 2.07 -0.93 0.90 116.25 117.88 1pqo h VAL 71 Ca 0.15 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.47 1pqo h VAL 71 Cb 0.35 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 1pqo h VAL 71 CO 0.00 0.07 0.18 -0.78 0.02 0.00 0.00 177.57 177.06 1pqo h ASP 72 N -0.44 0.13 -0.10 0.57 -0.00 -1.18 0.13 116.42 115.53 1pqo h ASP 72 Ca -0.03 0.09 -0.06 0.00 -0.00 0.00 0.00 57.03 57.02 1pqo h ASP 72 Cb 0.34 0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.74 1pqo h ASP 72 CO 0.05 0.08 -0.12 0.00 -0.00 0.00 0.00 179.24 179.25 1pqo h ALA 73 N 1.43 1.32 -0.22 -0.78 0.00 -0.82 0.44 119.26 120.62 1pqo h ALA 73 Ca 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pqo h ALA 73 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pqo h ALA 73 CO -0.33 0.46 0.01 0.00 0.00 0.00 0.00 179.25 179.38 1pqo h ALA 74 N 1.48 0.30 -0.71 0.00 0.00 0.15 -0.23 119.26 120.26 1pqo h ALA 74 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pqo h ALA 74 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1pqo h ALA 74 CO 0.03 0.02 0.40 0.28 0.00 0.00 0.00 179.25 179.98 1pqo h VAL 75 N 0.17 1.21 -0.42 0.00 2.07 -0.26 -2.07 116.25 116.94 1pqo h VAL 75 Ca 0.06 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1pqo h VAL 75 Cb 0.39 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1pqo h VAL 75 CO 0.01 0.23 0.21 0.03 0.02 0.00 0.00 177.57 178.07 1pqo h ARG 76 N 0.97 0.57 -0.33 1.57 3.08 0.10 -1.96 114.38 118.37 1pqo h ARG 76 Ca 0.25 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 1pqo h ARG 76 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1pqo h ARG 76 CO -0.04 0.44 -0.41 0.78 -1.07 0.00 0.00 179.97 179.66 1pqo h GLY 77 N 0.67 0.90 0.72 0.04 0.00 -0.40 -2.77 103.07 102.23 1pqo h GLY 77 Ca 0.15 -0.93 0.04 0.00 0.00 0.00 0.00 47.33 46.59 1pqo h GLY 77 CO -0.02 0.84 0.14 -2.22 0.00 0.00 0.00 176.54 175.27 1pqo h ILE 78 N 0.67 0.91 0.00 2.60 2.04 -0.85 0.63 117.51 123.51 1pqo h ILE 78 Ca 0.05 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1pqo h ILE 78 Cb 0.98 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1pqo h ILE 78 CO 0.09 0.05 -0.16 -0.07 0.00 0.00 0.00 178.15 178.07 1pqo h LEU 79 N 0.29 0.00 0.00 1.44 3.38 -1.25 -2.51 115.31 116.66 1pqo h LEU 79 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1pqo h LEU 79 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pqo h LEU 79 CO -0.15 0.16 -0.65 0.54 0.09 0.00 0.00 178.44 178.42 1pqo n ARG 80 N -3.79 0.03 -3.52 1.13 1.74 -0.81 -4.78 116.66 106.66 1pqo n ARG 80 Ca -0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 1pqo n ARG 80 Cb 0.26 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1pqo n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pqo s ASN 81 N -3.09 6.12 0.60 0.55 3.84 0.15 -4.96 114.94 118.14 1pqo s ASN 81 Ca 0.10 0.12 0.34 0.00 0.21 0.00 0.00 52.86 53.62 1pqo s ASN 81 Cb 0.17 -2.15 1.90 0.00 -0.55 0.00 0.00 41.25 40.62 1pqo s ASN 81 CO 0.75 -0.09 2.24 0.00 -2.79 0.00 0.00 177.10 177.20 1pqo h ALA 82 N 8.23 1.30 -0.00 1.71 0.00 -1.89 0.72 119.26 129.33 1pqo h ALA 82 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pqo h ALA 82 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pqo h ALA 82 CO 0.59 0.03 -0.27 1.63 0.00 0.00 0.00 179.25 181.23 1pqo n LYS 83 N -3.54 0.34 0.00 0.00 5.02 -1.26 -4.34 118.16 114.37 1pqo n LYS 83 Ca -0.03 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1pqo n LYS 83 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1pqo n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pqo n LEU 84 N -1.19 0.00 -0.17 -0.35 4.77 -0.19 -4.72 117.00 115.16 1pqo n LEU 84 Ca 0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1pqo n LEU 84 Cb 0.32 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1pqo n LEU 84 CO 0.29 0.00 0.93 0.50 -1.33 0.00 0.00 177.39 177.78 1pqo h LYS 85 N 0.00 0.26 -0.58 3.23 3.64 -0.71 -1.34 116.57 121.08 1pqo h LYS 85 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1pqo h LYS 85 Cb 0.85 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1pqo h LYS 85 CO 0.00 0.17 0.38 -1.35 -2.27 0.00 0.00 179.45 176.38 1pqo h PRO 86 N 0.27 0.75 -0.60 1.90 0.11 -1.84 0.14 132.00 132.73 1pqo h PRO 86 Ca 0.27 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 1pqo h PRO 86 Cb 0.35 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1pqo h PRO 86 CO -0.33 0.50 0.04 -0.24 -0.21 0.00 0.00 178.00 177.76 1pqo h VAL 87 N 0.78 1.26 -0.22 3.15 3.04 -1.78 -1.02 116.25 121.47 1pqo h VAL 87 Ca 0.21 -1.09 0.03 0.00 -1.01 0.00 0.00 66.70 64.84 1pqo h VAL 87 Cb -0.08 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 1pqo h VAL 87 CO -0.05 0.40 0.05 0.22 -1.01 0.00 0.00 177.57 177.18 1pqo h TYR 88 N 0.93 0.08 -0.56 3.17 5.03 -0.77 -1.99 116.97 122.87 1pqo h TYR 88 Ca 0.17 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1pqo h TYR 88 Cb 0.51 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1pqo h TYR 88 CO 0.04 0.03 0.25 -0.44 -1.32 0.00 0.00 178.16 176.72 1pqo h ASP 89 N 0.14 0.71 0.85 -2.11 3.45 -0.55 -1.95 116.42 116.96 1pqo h ASP 89 Ca 0.10 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1pqo h ASP 89 Cb 0.09 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1pqo h ASP 89 CO -0.13 0.62 0.00 0.77 -1.57 0.00 0.00 179.24 178.93 1pqo h SER 90 N 0.78 0.00 -3.62 6.45 4.64 -0.46 -3.46 113.55 117.89 1pqo h SER 90 Ca 0.19 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.02 1pqo h SER 90 Cb 0.11 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1pqo h SER 90 CO -0.02 0.00 0.10 -0.76 -0.87 0.00 0.00 176.83 175.28 1pqo s LEU 91 N -5.41 3.76 0.84 5.97 1.43 -0.74 -5.09 118.68 119.45 1pqo s LEU 91 Ca 0.02 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1pqo s LEU 91 Cb 0.09 -3.93 0.09 0.00 0.03 0.00 0.00 46.19 42.47 1pqo s LEU 91 CO 0.47 -0.46 1.14 1.51 0.23 0.00 0.00 176.35 179.24 1pqo s ASP 92 N -3.53 4.23 0.21 2.29 1.47 -1.26 -4.80 116.67 115.27 1pqo s ASP 92 Ca 0.49 0.96 -0.10 0.00 1.18 0.00 0.00 52.55 55.08 1pqo s ASP 92 Cb -0.10 -1.55 0.27 0.00 -0.34 0.00 0.00 42.92 41.20 1pqo s ASP 92 CO 0.37 -2.10 1.74 0.00 0.68 0.00 0.00 175.17 175.86 1pqo h ALA 93 N -1.19 0.76 0.19 2.11 0.00 -1.98 -0.92 119.26 118.24 1pqo h ALA 93 Ca -0.48 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1pqo h ALA 93 Cb 1.31 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1pqo h ALA 93 CO 0.63 -0.20 -0.09 0.28 0.00 0.00 0.00 179.25 179.88 1pqo h VAL 94 N 0.40 0.87 -0.33 0.00 2.07 -1.94 -1.76 116.25 115.54 1pqo h VAL 94 Ca 0.30 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1pqo h VAL 94 Cb 0.37 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1pqo h VAL 94 CO -0.31 0.05 0.02 0.03 0.02 0.00 0.00 177.57 177.39 1pqo h ARG 95 N -0.36 0.51 -1.00 1.57 3.08 -1.80 -0.64 114.38 115.73 1pqo h ARG 95 Ca -0.03 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1pqo h ARG 95 Cb 0.28 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1pqo h ARG 95 CO 0.04 0.52 0.65 0.00 -1.07 0.00 0.00 179.97 180.11 1pqo h ARG 96 N 0.49 1.14 -0.22 0.04 3.08 -0.87 -1.19 114.38 116.85 1pqo h ARG 96 Ca 0.11 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1pqo h ARG 96 Cb 0.29 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1pqo h ARG 96 CO 0.01 0.76 0.14 0.00 -1.07 0.00 0.00 179.97 179.80 1pqo h ALA 97 N 1.46 0.28 -0.49 0.04 0.00 -0.24 -0.49 119.26 119.82 1pqo h ALA 97 Ca 0.43 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.35 1pqo h ALA 97 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1pqo h ALA 97 CO -0.17 -0.22 0.33 0.00 0.00 0.00 0.00 179.25 179.19 1pqo h ALA 98 N 1.05 1.84 -0.38 0.00 0.00 -0.63 -0.66 119.26 120.48 1pqo h ALA 98 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1pqo h ALA 98 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pqo h ALA 98 CO -0.02 0.09 -0.27 1.25 0.00 0.00 0.00 179.25 180.30 1pqo h LEU 99 N 0.49 0.90 -0.56 0.00 5.85 -0.38 -2.07 115.31 119.54 1pqo h LEU 99 Ca 0.20 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1pqo h LEU 99 Cb 0.19 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1pqo h LEU 99 CO -0.05 1.15 0.34 0.40 -0.34 0.00 0.00 178.44 179.93 1pqo h ILE 100 N 0.66 1.06 -0.27 4.05 2.04 -0.15 -0.96 117.51 123.94 1pqo h ILE 100 Ca 0.07 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.77 1pqo h ILE 100 Cb 0.85 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 1pqo h ILE 100 CO 0.07 0.12 -0.32 -1.13 0.00 0.00 0.00 178.15 176.90 1pqo h ASN 101 N 0.67 -1.03 0.12 1.72 -0.73 -0.99 0.17 115.58 115.51 1pqo h ASN 101 Ca 0.23 0.17 0.01 0.00 1.87 0.00 0.00 56.30 58.58 1pqo h ASN 101 Cb 0.02 0.46 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1pqo h ASN 101 CO -0.10 -0.33 -0.22 0.24 -0.37 0.00 0.00 177.43 176.65 1pqo h MET 102 N -0.32 -0.40 -0.15 6.67 2.86 -0.94 -1.60 114.93 121.05 1pqo h MET 102 Ca 0.14 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1pqo h MET 102 Cb 0.54 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1pqo h MET 102 CO -0.45 -0.27 0.08 0.28 1.06 0.00 0.00 176.91 177.61 1pqo h VAL 103 N -0.42 1.06 -0.54 -2.22 2.07 -0.45 0.26 116.25 116.01 1pqo h VAL 103 Ca 0.03 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1pqo h VAL 103 Cb 0.44 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1pqo h VAL 103 CO -0.12 0.06 -0.12 0.15 0.02 0.00 0.00 177.57 177.57 1pqo h PHE 104 N 0.21 1.15 0.00 1.57 3.04 -0.30 -0.56 116.94 122.06 1pqo h PHE 104 Ca 0.06 -0.24 -0.00 0.00 3.98 0.00 0.00 57.97 61.76 1pqo h PHE 104 Cb 0.02 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.25 1pqo h PHE 104 CO 0.00 1.07 -0.00 0.37 -2.02 0.00 0.00 178.31 177.73 1pqo h GLN 105 N 0.90 -0.00 -0.19 1.11 4.15 -0.30 -3.39 115.11 117.39 1pqo h GLN 105 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1pqo h GLN 105 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1pqo h GLN 105 CO 0.05 0.58 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 1pqo n MET 106 N -4.81 2.70 -0.20 1.69 0.00 0.80 -5.10 117.12 112.19 1pqo n MET 106 Ca -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 57.70 55.86 1pqo n MET 106 Cb 0.29 -1.16 -0.00 0.00 0.00 0.00 0.00 33.22 32.36 1pqo n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pqo n GLY 107 N 0.12 -2.96 0.24 3.17 0.00 -0.22 -3.79 105.19 101.76 1pqo n GLY 107 Ca 0.07 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.87 1pqo n GLY 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pqo h GLU 108 N 0.02 0.22 -0.17 1.61 4.11 -1.92 -1.51 114.58 116.94 1pqo h GLU 108 Ca -0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.42 1pqo h GLU 108 Cb 0.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1pqo h GLU 108 CO 0.00 0.14 0.10 1.15 0.07 0.00 0.00 179.01 180.47 1pqo h THR 109 N 0.22 1.02 -0.67 -1.06 2.02 -1.96 0.42 112.91 112.91 1pqo h THR 109 Ca 0.35 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.51 1pqo h THR 109 Cb 0.56 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1pqo h THR 109 CO -0.47 0.04 0.39 1.23 0.37 0.00 0.00 175.52 177.08 1pqo h GLY 110 N 0.20 0.98 1.05 2.16 0.00 -1.41 -2.17 103.07 103.89 1pqo h GLY 110 Ca 0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1pqo h GLY 110 CO -0.03 0.20 0.26 -2.08 0.00 0.00 0.00 176.54 174.90 1pqo h VAL 111 N 0.75 1.26 -0.10 4.60 2.07 -0.76 -2.86 116.25 121.21 1pqo h VAL 111 Ca 0.29 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1pqo h VAL 111 Cb 0.12 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1pqo h VAL 111 CO -0.15 0.35 0.09 0.00 0.02 0.00 0.00 177.57 177.88 1pqo h ALA 112 N 1.14 1.82 0.00 1.67 0.00 -0.27 -1.43 119.26 122.19 1pqo h ALA 112 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1pqo h ALA 112 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pqo h ALA 112 CO -0.01 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1pqo n GLY 113 N -1.43 -0.83 2.25 0.00 0.00 -1.08 -3.68 105.19 100.41 1pqo n GLY 113 Ca -0.01 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1pqo n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pqo n PHE 114 N -1.08 1.16 -0.27 1.61 3.72 -0.54 -4.68 117.46 117.38 1pqo n PHE 114 Ca 0.16 -1.81 0.01 0.00 -0.05 0.00 0.00 57.45 55.76 1pqo n PHE 114 Cb 0.11 -1.33 0.08 0.00 -0.94 0.00 0.00 39.48 37.40 1pqo n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1pqo h THR 115 N 1.80 0.18 -0.25 4.37 2.02 -1.82 0.10 112.91 119.32 1pqo h THR 115 Ca 0.32 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.37 1pqo h THR 115 Cb 0.94 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1pqo h THR 115 CO 0.68 0.00 -0.34 0.78 0.37 0.00 0.00 175.52 177.00 1pqo h ASN 116 N -0.03 0.73 -0.49 4.18 2.35 -1.94 -2.04 115.58 118.34 1pqo h ASN 116 Ca 0.35 -0.51 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1pqo h ASN 116 Cb 0.58 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1pqo h ASN 116 CO -0.81 1.09 0.19 0.28 -1.65 0.00 0.00 177.43 176.53 1pqo h SER 117 N 0.38 0.68 -0.53 5.81 0.02 -1.76 -1.22 113.55 116.93 1pqo h SER 117 Ca 0.03 -0.17 0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1pqo h SER 117 Cb 0.93 -0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 1pqo h SER 117 CO 0.08 0.67 -0.00 0.40 -1.14 0.00 0.00 176.83 176.84 1pqo h ILE 118 N 0.66 0.57 -0.44 3.27 1.08 -0.77 0.37 117.51 122.24 1pqo h ILE 118 Ca 0.16 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1pqo h ILE 118 Cb 0.21 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 1pqo h ILE 118 CO -0.01 0.02 0.27 -0.09 -0.69 0.00 0.00 178.15 177.65 1pqo h ARG 119 N 0.11 0.60 -0.85 2.37 2.43 -1.06 -0.75 114.38 117.24 1pqo h ARG 119 Ca 0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1pqo h ARG 119 Cb 0.42 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1pqo h ARG 119 CO -0.45 0.44 0.42 0.52 -1.51 0.00 0.00 179.97 179.38 1pqo h MET 120 N 0.59 1.22 -0.48 0.20 2.86 0.07 -1.33 114.93 118.06 1pqo h MET 120 Ca 0.16 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1pqo h MET 120 Cb -0.01 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1pqo h MET 120 CO -0.03 0.93 0.25 -0.07 1.06 0.00 0.00 176.91 179.05 1pqo h LEU 121 N 1.21 0.61 -1.61 1.22 3.38 0.09 -0.70 115.31 119.51 1pqo h LEU 121 Ca 0.29 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pqo h LEU 121 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pqo h LEU 121 CO -0.04 0.53 0.19 -0.61 0.09 0.00 0.00 178.44 178.60 1pqo h GLN 122 N 0.63 0.45 -0.00 1.13 5.75 -0.70 -0.91 115.11 121.46 1pqo h GLN 122 Ca 0.17 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1pqo h GLN 122 Cb 0.07 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.52 1pqo h GLN 122 CO -0.03 0.33 -0.15 1.04 -2.65 0.00 0.00 178.83 177.38 1pqo n GLN 123 N -4.45 0.35 -3.11 1.69 6.02 -0.54 -4.92 117.38 112.41 1pqo n GLN 123 Ca 0.02 -0.11 -0.16 0.00 -0.01 0.00 0.00 57.00 56.74 1pqo n GLN 123 Cb 0.09 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.90 1pqo n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pqo n LYS 124 N -1.23 -4.90 -3.25 -1.09 5.02 -0.35 -4.94 118.16 107.43 1pqo n LYS 124 Ca 0.11 0.60 -0.43 0.00 -2.02 0.00 0.00 58.31 56.57 1pqo n LYS 124 Cb 0.30 -4.88 -0.01 0.00 -0.02 0.00 0.00 35.03 30.42 1pqo n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqo n ARG 125 N -3.46 3.77 -0.19 1.97 1.74 -0.40 -4.90 116.66 115.20 1pqo n ARG 125 Ca -0.02 -4.51 -0.01 0.00 -0.77 0.00 0.00 57.85 52.54 1pqo n ARG 125 Cb 0.56 -2.51 0.07 0.00 -1.02 0.00 0.00 32.46 29.56 1pqo n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1pqo h TRP 126 N 6.02 -0.14 -0.39 -1.55 -0.00 -1.88 0.24 115.95 118.25 1pqo h TRP 126 Ca 0.19 0.05 -0.08 0.00 -0.00 0.00 0.00 58.89 59.04 1pqo h TRP 126 Cb 0.76 0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 30.06 1pqo h TRP 126 CO 0.85 -0.19 -0.06 -0.44 -0.00 0.00 0.00 178.44 178.60 1pqo h ASP 127 N 0.07 0.73 -0.54 -3.49 5.19 -1.90 -1.63 116.42 114.85 1pqo h ASP 127 Ca 0.29 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1pqo h ASP 127 Cb 0.45 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1pqo h ASP 127 CO -0.52 0.90 0.23 -0.33 -3.12 0.00 0.00 179.24 176.40 1pqo h GLU 128 N 0.55 0.80 -0.05 3.56 5.08 -1.89 -1.70 114.58 120.92 1pqo h GLU 128 Ca 0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pqo h GLU 128 Cb 0.56 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pqo h GLU 128 CO 0.03 0.69 0.03 0.00 -1.00 0.00 0.00 179.01 178.76 1pqo h ALA 129 N 1.07 0.07 -0.93 3.43 0.00 -0.40 -1.39 119.26 121.12 1pqo h ALA 129 Ca 0.18 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1pqo h ALA 129 Cb 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1pqo h ALA 129 CO -0.02 -0.43 0.57 0.00 0.00 0.00 0.00 179.25 179.37 1pqo h ALA 130 N 1.00 1.37 -0.41 0.00 0.00 -1.02 0.35 119.26 120.55 1pqo h ALA 130 Ca 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1pqo h ALA 130 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pqo h ALA 130 CO -0.00 0.18 -0.31 0.28 0.00 0.00 0.00 179.25 179.40 1pqo h VAL 131 N 0.92 1.27 -0.29 0.00 2.07 -0.98 -2.97 116.25 116.27 1pqo h VAL 131 Ca 0.46 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 1pqo h VAL 131 Cb 0.43 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1pqo h VAL 131 CO -0.26 0.50 -0.28 -1.13 0.02 0.00 0.00 177.57 176.42 1pqo h ASN 132 N 0.77 0.60 -0.25 0.57 -0.73 -0.13 -2.81 115.58 113.60 1pqo h ASN 132 Ca 0.08 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.00 1pqo h ASN 132 Cb 0.88 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.29 1pqo h ASN 132 CO 0.08 0.86 0.09 -0.07 -0.37 0.00 0.00 177.43 178.02 1pqo h LEU 133 N 0.51 0.42 -0.62 0.34 3.38 -0.22 -2.42 115.31 116.70 1pqo h LEU 133 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pqo h LEU 133 Cb 0.75 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1pqo h LEU 133 CO 0.06 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1pqo h ALA 134 N 1.65 1.00 -0.91 1.53 0.00 -1.36 -3.34 119.26 117.83 1pqo h ALA 134 Ca 0.11 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.26 1pqo h ALA 134 Cb 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 1pqo h ALA 134 CO -0.01 0.00 2.04 1.63 0.00 0.00 0.00 179.25 182.91 1pqo n LYS 135 N -2.33 3.78 -3.59 0.00 5.02 -0.91 -4.68 118.16 115.44 1pqo n LYS 135 Ca 0.03 -3.55 -0.11 0.00 -2.02 0.00 0.00 58.31 52.66 1pqo n LYS 135 Cb 0.28 -2.87 -0.04 0.00 -0.02 0.00 0.00 35.03 32.38 1pqo n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pqo s SER 136 N 0.68 -0.30 0.21 4.39 1.04 -1.25 -5.01 113.70 113.45 1pqo s SER 136 Ca 0.41 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 1pqo s SER 136 Cb 0.11 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.88 1pqo s SER 136 CO -0.00 -0.87 1.83 -0.09 0.98 0.00 0.00 173.24 175.09 1pqo h ARG 137 N 2.30 1.07 -0.51 4.02 2.43 -1.92 -1.67 114.38 120.10 1pqo h ARG 137 Ca -0.34 -0.12 0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1pqo h ARG 137 Cb 1.27 -0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 30.50 1pqo h ARG 137 CO 0.45 0.78 -0.37 2.35 -1.51 0.00 0.00 179.97 181.67 1pqo h TRP 138 N 1.06 -1.05 -0.15 2.20 7.01 -1.95 0.37 115.95 123.44 1pqo h TRP 138 Ca 0.27 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.34 1pqo h TRP 138 Cb 0.02 0.53 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1pqo h TRP 138 CO -0.00 -0.40 0.09 -0.92 -2.79 0.00 0.00 178.44 174.41 1pqo h TYR 139 N -0.23 0.20 -0.53 2.65 5.03 -1.74 -0.06 116.97 122.30 1pqo h TYR 139 Ca 0.19 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.51 1pqo h TYR 139 Cb 0.56 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.74 1pqo h TYR 139 CO -0.63 0.19 0.34 -0.91 -1.32 0.00 0.00 178.16 175.83 1pqo h ASN 140 N 0.16 0.59 0.61 -2.11 2.35 -0.44 0.91 115.58 117.65 1pqo h ASN 140 Ca 0.05 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.60 1pqo h ASN 140 Cb 0.05 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1pqo h ASN 140 CO -0.01 0.42 -0.86 1.56 -1.65 0.00 0.00 177.43 176.90 1pqo h GLN 141 N 0.70 0.17 -2.05 0.81 1.08 -0.20 -3.37 115.11 112.24 1pqo h GLN 141 Ca 0.20 -0.18 -0.57 0.00 -1.45 0.00 0.00 58.65 56.65 1pqo h GLN 141 Cb -0.06 0.05 -0.39 0.00 -0.05 0.00 0.00 27.48 27.03 1pqo h GLN 141 CO -0.05 0.92 -1.05 0.25 -0.95 0.00 0.00 178.83 177.95 1pqo n THR 142 N -3.65 -0.40 -0.26 -0.54 -2.24 -0.05 -4.98 114.28 102.16 1pqo n THR 142 Ca -0.03 -4.10 -0.05 0.00 -2.27 0.00 0.00 64.05 57.59 1pqo n THR 142 Cb 0.79 -1.96 0.10 0.00 -2.10 0.00 0.00 70.33 67.16 1pqo n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pqo h PRO 143 N 4.12 1.12 -0.28 -0.78 0.13 -1.00 -0.82 132.00 134.50 1pqo h PRO 143 Ca 0.10 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1pqo h PRO 143 Cb 0.86 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1pqo h PRO 143 CO 0.49 0.92 -0.05 -0.91 -0.23 0.00 0.00 178.00 178.22 1pqo h ASN 144 N 1.09 0.53 -0.29 1.44 2.35 -1.94 0.15 115.58 118.92 1pqo h ASN 144 Ca 0.25 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1pqo h ASN 144 Cb 0.23 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1pqo h ASN 144 CO -0.02 0.76 0.05 -0.09 -1.65 0.00 0.00 177.43 176.48 1pqo h ARG 145 N 0.30 0.47 -0.65 0.81 2.43 -1.95 -2.21 114.38 113.57 1pqo h ARG 145 Ca 0.07 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1pqo h ARG 145 Cb 0.52 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1pqo h ARG 145 CO 0.02 0.57 0.33 0.00 -1.51 0.00 0.00 179.97 179.39 1pqo h ALA 146 N 0.88 0.88 -0.35 2.80 0.00 -1.06 0.21 119.26 122.61 1pqo h ALA 146 Ca 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pqo h ALA 146 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1pqo h ALA 146 CO 0.00 -0.04 0.21 0.87 0.00 0.00 0.00 179.25 180.30 1pqo h LYS 147 N 0.59 0.47 -0.22 0.00 1.57 -0.51 0.28 116.57 118.75 1pqo h LYS 147 Ca 0.31 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1pqo h LYS 147 Cb 0.28 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1pqo h LYS 147 CO -0.23 0.33 -0.06 0.00 -0.57 0.00 0.00 179.45 178.92 1pqo h ARG 148 N 0.48 0.43 -0.42 3.15 3.08 -0.37 0.23 114.38 120.95 1pqo h ARG 148 Ca 0.13 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1pqo h ARG 148 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1pqo h ARG 148 CO -0.02 0.67 0.07 0.28 -1.07 0.00 0.00 179.97 179.90 1pqo h VAL 149 N 0.15 1.24 -0.89 2.04 2.07 -0.58 -1.58 116.25 118.70 1pqo h VAL 149 Ca 0.05 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1pqo h VAL 149 Cb 0.52 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1pqo h VAL 149 CO 0.02 0.30 0.55 0.40 0.02 0.00 0.00 177.57 178.87 1pqo h ILE 150 N 0.56 1.24 -0.75 4.57 2.04 -0.41 -0.75 117.51 124.01 1pqo h ILE 150 Ca 0.13 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1pqo h ILE 150 Cb 0.37 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1pqo h ILE 150 CO 0.01 0.25 0.45 0.74 0.00 0.00 0.00 178.15 179.60 1pqo h THR 151 N 1.22 1.21 -0.56 -0.27 2.02 -0.64 0.64 112.91 116.53 1pqo h THR 151 Ca 0.32 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1pqo h THR 151 Cb -0.08 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.45 1pqo h THR 151 CO -0.06 0.22 0.28 0.74 0.37 0.00 0.00 175.52 177.07 1pqo h THR 152 N 1.02 0.94 -0.41 3.16 2.02 -0.35 0.01 112.91 119.30 1pqo h THR 152 Ca 0.27 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 1pqo h THR 152 Cb -0.04 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1pqo h THR 152 CO -0.05 0.10 -0.29 -0.26 0.37 0.00 0.00 175.52 175.38 1pqo h PHE 153 N 0.54 1.08 -0.56 3.16 0.05 -0.46 0.84 116.94 121.59 1pqo h PHE 153 Ca 0.25 -0.30 -0.03 0.00 3.82 0.00 0.00 57.97 61.71 1pqo h PHE 153 Cb 0.18 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 1pqo h PHE 153 CO -0.10 1.11 0.22 -0.09 -0.18 0.00 0.00 178.31 179.27 1pqo h ARG 154 N 0.74 0.84 0.00 1.51 2.43 -0.40 -3.33 114.38 116.17 1pqo h ARG 154 Ca 0.08 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1pqo h ARG 154 Cb 0.88 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1pqo h ARG 154 CO 0.08 0.73 -1.89 0.25 -1.51 0.00 0.00 179.97 177.63 1pqo n THR 155 N -4.50 0.38 -1.44 0.20 -2.24 -0.05 -4.75 114.28 101.88 1pqo n THR 155 Ca 0.03 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 1pqo n THR 155 Cb 0.16 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1pqo n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqo n GLY 156 N 1.33 1.19 3.52 3.38 0.00 0.29 -5.00 105.19 109.90 1pqo n GLY 156 Ca -0.08 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1pqo n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pqo s THR 157 N -2.47 1.73 -0.57 2.61 -4.23 -1.25 -4.81 115.64 106.65 1pqo s THR 157 Ca 0.00 -2.06 0.15 0.00 -1.18 0.00 0.00 61.69 58.60 1pqo s THR 157 Cb 0.00 -2.76 0.76 0.00 1.34 0.00 0.00 72.50 71.83 1pqo s THR 157 CO 0.00 -0.10 1.66 0.79 -0.54 0.00 0.00 174.62 176.43 1pqo n TRP 158 N -0.78 1.82 -0.30 3.99 7.02 -1.26 -4.54 117.44 123.40 1pqo n TRP 158 Ca -0.04 -0.65 0.13 0.00 -1.02 0.00 0.00 57.50 55.91 1pqo n TRP 158 Cb 0.66 -0.41 0.29 0.00 -2.42 0.00 0.00 31.31 29.42 1pqo n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1pqo h ASP 159 N 3.86 0.21 0.31 -0.99 3.32 -1.96 0.51 116.42 121.68 1pqo h ASP 159 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1pqo h ASP 159 Cb 1.75 0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.48 1pqo h ASP 159 CO 0.39 -0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 1pqo h ALA 160 N 1.72 1.00 -0.13 3.45 0.00 -1.88 -0.98 119.26 122.44 1pqo h ALA 160 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1pqo h ALA 160 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pqo h ALA 160 CO -0.56 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.35 1pqo n TYR 161 N -2.78 0.16 -0.32 0.00 4.01 0.09 -4.71 117.16 113.61 1pqo n TYR 161 Ca -0.01 -0.17 0.22 0.00 -0.16 0.00 0.00 57.90 57.78 1pqo n TYR 161 Cb 0.13 -0.01 0.50 0.00 -0.31 0.00 0.00 39.34 39.65 1pqo n TYR 161 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1pqo h LYS 162 N 2.24 0.40 0.00 -0.72 1.57 -0.27 -3.17 116.57 116.62 1pqo h LYS 162 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pqo h LYS 162 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1pqo h LYS 162 CO 0.00 0.27 -0.08 0.09 -0.57 0.00 0.00 179.45 179.16 1pqo n ASN 163 N -4.65 1.23 0.00 0.86 3.02 -1.26 -5.10 115.26 109.36 1pqo n ASN 163 Ca 0.25 -1.96 0.11 0.00 -0.03 0.00 0.00 54.58 52.96 1pqo n ASN 163 Cb 0.86 -0.12 0.64 0.00 -0.61 0.00 0.00 39.78 40.56 1pqo n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82