#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqk s ASN 2 N 0.00 -0.15 0.40 6.12 2.20 -1.26 -5.02 114.94 117.22 1pqk s ASN 2 Ca 0.00 -0.81 0.13 0.00 -0.94 0.00 0.00 52.86 51.24 1pqk s ASN 2 Cb 0.00 0.77 0.96 0.00 -2.00 0.00 0.00 41.25 40.97 1pqk s ASN 2 CO 0.00 -1.46 1.89 -0.29 -2.94 0.00 0.00 177.10 174.30 1pqk h ILE 3 N 2.00 0.80 -0.21 0.54 6.09 -1.97 -0.01 117.51 124.74 1pqk h ILE 3 Ca -0.24 -0.18 -0.20 0.00 -1.37 0.00 0.00 64.86 62.87 1pqk h ILE 3 Cb 1.25 0.22 0.01 0.00 0.47 0.00 0.00 36.82 38.76 1pqk h ILE 3 CO 0.30 0.10 -0.64 -0.26 -3.07 0.00 0.00 178.15 174.58 1pqk h PHE 4 N 0.53 1.05 0.00 2.19 -1.00 -1.99 -1.37 116.94 116.36 1pqk h PHE 4 Ca 0.41 -0.42 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1pqk h PHE 4 Cb 0.83 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1pqk h PHE 4 CO -0.00 1.25 -0.48 0.93 -1.61 0.00 0.00 178.31 178.40 1pqk h GLU 5 N 0.56 0.00 0.24 1.51 5.08 -1.79 -1.13 114.58 119.06 1pqk h GLU 5 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1pqk h GLU 5 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pqk h GLU 5 CO 0.14 0.48 -0.11 1.98 -1.00 0.00 0.00 179.01 180.49 1pqk h MET 6 N 0.00 -0.31 -0.14 2.33 4.05 -0.89 -1.73 114.93 118.25 1pqk h MET 6 Ca -0.00 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1pqk h MET 6 Cb 1.07 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1pqk h MET 6 CO 0.06 0.01 -0.01 -0.07 0.23 0.00 0.00 176.91 177.13 1pqk h LEU 7 N -0.65 0.18 -0.83 3.39 3.38 -1.22 -0.31 115.31 119.23 1pqk h LEU 7 Ca -0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1pqk h LEU 7 Cb 0.46 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1pqk h LEU 7 CO 0.05 0.23 0.38 -0.09 0.09 0.00 0.00 178.44 179.10 1pqk h ARG 8 N 0.20 1.21 -0.43 1.13 9.65 -1.05 0.97 114.38 126.06 1pqk h ARG 8 Ca 0.05 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.66 1pqk h ARG 8 Cb 0.16 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1pqk h ARG 8 CO 0.00 0.94 -0.03 0.82 2.80 0.00 0.00 179.97 184.51 1pqk h ILE 9 N 1.19 1.27 -0.00 1.20 2.04 -0.18 -0.49 117.51 122.54 1pqk h ILE 9 Ca 0.28 -1.08 -0.26 0.00 1.00 0.00 0.00 64.86 64.80 1pqk h ILE 9 Cb 0.15 1.10 0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1pqk h ILE 9 CO -0.03 0.37 -1.02 0.44 0.00 0.00 0.00 178.15 177.90 1pqk h ASP 10 N 0.62 0.85 0.73 1.72 3.32 -0.48 -3.33 116.42 119.85 1pqk h ASP 10 Ca 0.12 -0.68 -0.25 0.00 0.02 0.00 0.00 57.03 56.23 1pqk h ASP 10 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1pqk h ASP 10 CO 0.03 1.48 -1.33 -0.33 -1.72 0.00 0.00 179.24 177.36 1pqk h GLU 11 N 0.37 0.04 0.00 3.56 4.39 0.92 -3.50 114.58 120.37 1pqk h GLU 11 Ca -0.12 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1pqk h GLU 11 Cb 1.67 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1pqk h GLU 11 CO 0.20 0.84 0.00 0.41 -1.16 0.00 0.00 179.01 179.30 1pqk n GLY 12 N 1.47 -2.40 2.79 -3.84 0.00 -0.19 -4.36 105.19 98.66 1pqk n GLY 12 Ca -0.09 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.13 1pqk n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pqk s LEU 13 N 0.00 0.70 -0.05 0.99 2.96 -1.26 -4.29 118.68 117.73 1pqk s LEU 13 Ca 0.00 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1pqk s LEU 13 Cb 0.00 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.24 1pqk s LEU 13 CO 0.00 -0.18 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.64 1pqk s ARG 14 N 1.85 1.24 0.00 1.98 1.81 -0.12 -4.99 118.95 120.72 1pqk s ARG 14 Ca 0.03 -0.27 0.25 0.00 -1.72 0.00 0.00 55.73 54.02 1pqk s ARG 14 Cb -0.12 -1.10 0.39 0.00 -0.45 0.00 0.00 34.95 33.67 1pqk s ARG 14 CO -0.05 -0.00 1.34 1.28 -0.68 0.00 0.00 175.30 177.19 1pqk n LEU 15 N 3.82 1.69 -4.26 2.53 4.77 -1.26 0.23 117.00 124.53 1pqk n LEU 15 Ca -0.23 -0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 54.93 1pqk n LEU 15 Cb 0.52 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1pqk n LEU 15 CO 0.25 0.31 -0.52 -0.54 -1.33 0.00 0.00 177.39 175.55 1pqk s LYS 16 N -2.40 1.31 0.19 3.23 1.02 -1.26 -0.71 119.74 121.12 1pqk s LYS 16 Ca 0.23 -1.00 -0.33 0.00 0.02 0.00 0.00 55.97 54.90 1pqk s LYS 16 Cb 0.19 -1.47 -0.14 0.00 -0.52 0.00 0.00 37.83 35.89 1pqk s LYS 16 CO 0.51 0.37 1.46 -0.89 -0.92 0.00 0.00 175.35 175.88 1pqk n ILE 17 N 1.65 0.48 -4.13 2.17 5.41 -1.08 -4.77 119.36 119.09 1pqk n ILE 17 Ca -0.18 -0.12 -0.11 0.00 1.00 0.00 0.00 62.75 63.34 1pqk n ILE 17 Cb 0.53 -1.42 -0.08 0.00 -0.71 0.00 0.00 39.64 37.96 1pqk n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1pqk s TYR 18 N 0.38 0.90 -0.23 1.39 -0.85 -0.58 -4.98 117.35 113.38 1pqk s TYR 18 Ca 0.74 -1.16 -0.09 0.00 -0.52 0.00 0.00 57.07 56.05 1pqk s TYR 18 Cb -0.69 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 41.32 1pqk s TYR 18 CO 0.45 -0.79 0.11 0.15 -1.52 0.00 0.00 175.55 173.95 1pqk s LYS 19 N -4.05 3.92 0.31 -3.49 1.02 -1.26 -1.13 119.74 115.06 1pqk s LYS 19 Ca 0.33 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.92 1pqk s LYS 19 Cb 0.04 -3.39 0.08 0.00 -0.52 0.00 0.00 37.83 34.04 1pqk s LYS 19 CO 0.12 0.05 0.32 -0.40 -0.92 0.00 0.00 175.35 174.51 1pqk n ASP 20 N 4.27 -0.85 0.17 2.83 3.85 0.69 -4.73 116.55 122.79 1pqk n ASP 20 Ca -0.16 -0.83 0.06 0.00 -0.71 0.00 0.00 54.79 53.16 1pqk n ASP 20 Cb 0.52 -0.27 0.56 0.00 -1.35 0.00 0.00 41.12 40.57 1pqk n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1pqk h THR 21 N -1.62 1.05 -0.44 2.12 1.35 -1.95 0.18 112.91 113.59 1pqk h THR 21 Ca -0.11 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1pqk h THR 21 Cb 0.33 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1pqk h THR 21 CO 0.08 0.05 0.00 -0.62 -0.25 0.00 0.00 175.52 174.78 1pqk n GLU 22 N -4.49 2.05 -1.11 4.72 1.02 -1.26 -4.91 120.64 116.66 1pqk n GLU 22 Ca -0.01 -1.64 -0.04 0.00 -0.02 0.00 0.00 57.16 55.46 1pqk n GLU 22 Cb 0.10 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1pqk n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pqk n GLY 23 N 1.23 0.65 3.85 0.62 0.00 0.63 -5.02 105.19 107.17 1pqk n GLY 23 Ca 0.16 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1pqk n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqk s TYR 24 N -2.02 3.50 0.01 1.61 4.12 -1.26 -4.61 117.35 118.71 1pqk s TYR 24 Ca 0.00 1.06 -0.30 0.00 0.02 0.00 0.00 57.07 57.85 1pqk s TYR 24 Cb 0.00 -2.39 -0.05 0.00 -1.52 0.00 0.00 41.96 38.00 1pqk s TYR 24 CO 0.00 0.30 1.29 0.71 0.02 0.00 0.00 175.55 177.87 1pqk s TYR 25 N -1.69 3.15 0.12 2.71 4.12 0.25 -0.22 117.35 125.79 1pqk s TYR 25 Ca 0.45 1.08 -0.03 0.00 0.02 0.00 0.00 57.07 58.58 1pqk s TYR 25 Cb -0.13 -3.53 -0.03 0.00 -1.52 0.00 0.00 41.96 36.75 1pqk s TYR 25 CO 0.20 -1.80 0.10 0.99 0.02 0.00 0.00 175.55 175.07 1pqk s THR 26 N 1.85 0.12 0.36 -0.71 2.01 -0.28 0.35 115.64 119.34 1pqk s THR 26 Ca 0.60 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 1pqk s THR 26 Cb -0.29 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.42 1pqk s THR 26 CO 0.26 -0.54 0.78 -0.51 -0.69 0.00 0.00 174.62 173.92 1pqk s ILE 27 N -3.99 0.00 0.00 1.82 2.07 -0.59 -1.53 121.20 118.97 1pqk s ILE 27 Ca 0.18 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 1pqk s ILE 27 Cb 0.06 -2.68 0.00 0.00 0.13 0.00 0.00 42.46 39.98 1pqk s ILE 27 CO -0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1pqk n GLY 28 N -0.52 2.28 3.13 1.50 0.00 0.14 -0.99 105.19 110.73 1pqk n GLY 28 Ca -0.07 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1pqk n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pqk n ILE 29 N 0.00 3.71 -2.04 -0.61 5.41 -1.26 -0.94 119.36 123.63 1pqk n ILE 29 Ca 0.00 -5.29 -0.12 0.00 1.00 0.00 0.00 62.75 58.33 1pqk n ILE 29 Cb 0.00 -2.40 -0.02 0.00 -0.71 0.00 0.00 39.64 36.52 1pqk n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pqk n GLY 30 N 2.22 0.19 3.53 7.39 0.00 -1.25 -4.83 105.19 112.44 1pqk n GLY 30 Ca 0.23 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1pqk n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqk s HIS 31 N -2.59 2.69 0.17 1.61 5.04 -0.16 -4.91 115.29 117.15 1pqk s HIS 31 Ca 0.00 -0.01 -0.31 0.00 -1.54 0.00 0.00 55.06 53.20 1pqk s HIS 31 Cb 0.00 -4.24 -0.10 0.00 0.04 0.00 0.00 32.58 28.28 1pqk s HIS 31 CO 0.00 -1.51 1.51 -1.17 -2.34 0.00 0.00 174.74 171.23 1pqk s LEU 32 N 4.33 4.37 -0.21 8.88 2.96 -1.26 -1.55 118.68 136.20 1pqk s LEU 32 Ca 0.32 2.58 -0.12 0.00 -0.22 0.00 0.00 54.13 56.69 1pqk s LEU 32 Cb -0.12 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 1pqk s LEU 32 CO 0.19 -0.77 -0.28 0.18 -1.32 0.00 0.00 176.35 174.34 1pqk n LEU 33 N 3.63 1.58 -3.60 -0.68 4.77 0.16 -4.95 117.00 117.91 1pqk n LEU 33 Ca 0.12 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1pqk n LEU 33 Cb 0.39 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1pqk n LEU 33 CO 0.61 0.36 0.51 0.28 -1.33 0.00 0.00 177.39 177.81 1pqk s THR 34 N -2.44 0.00 -0.36 -5.08 -1.32 -0.92 -4.82 115.64 100.71 1pqk s THR 34 Ca -0.30 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.39 1pqk s THR 34 Cb 0.11 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.35 1pqk s THR 34 CO 0.38 0.00 1.55 0.11 -2.21 0.00 0.00 174.62 174.46 1pqk h LYS 35 N 4.10 0.00 -6.99 7.08 1.57 -1.93 0.73 116.57 121.13 1pqk h LYS 35 Ca -0.27 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.02 1pqk h LYS 35 Cb 1.16 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.50 1pqk h LYS 35 CO 0.18 0.15 0.44 -1.12 -0.57 0.00 0.00 179.45 178.52 1pqk s SER 36 N -6.27 6.49 -1.56 0.86 0.01 -1.26 -4.75 113.70 107.22 1pqk s SER 36 Ca 0.06 2.14 -0.10 0.00 1.31 0.00 0.00 55.95 59.36 1pqk s SER 36 Cb 0.06 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1pqk s SER 36 CO 0.69 -0.68 2.95 -0.81 0.41 0.00 0.00 173.24 175.80 1pqk n PRO 37 N -0.30 3.72 -3.71 12.44 -0.04 -1.26 -4.65 135.00 141.19 1pqk n PRO 37 Ca 0.06 -2.25 -0.24 0.00 -0.04 0.00 0.00 63.50 61.03 1pqk n PRO 37 Cb 0.49 -2.76 -0.17 0.00 -0.04 0.00 0.00 33.50 31.02 1pqk n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pqk s SER 38 N 2.04 1.90 0.24 3.54 0.15 -1.26 -4.99 113.70 115.32 1pqk s SER 38 Ca 0.69 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 1pqk s SER 38 Cb 0.19 -0.36 0.29 0.00 -1.71 0.00 0.00 66.02 64.42 1pqk s SER 38 CO -0.06 -0.26 1.68 0.25 1.20 0.00 0.00 173.24 176.05 1pqk h LEU 39 N 8.35 0.66 -0.70 3.45 5.85 -2.00 -1.65 115.31 129.29 1pqk h LEU 39 Ca -0.16 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1pqk h LEU 39 Cb 1.13 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1pqk h LEU 39 CO 0.26 0.87 0.27 -1.13 -0.34 0.00 0.00 178.44 178.37 1pqk h ASN 40 N 0.58 0.97 -0.53 1.25 -1.24 -1.98 -0.25 115.58 114.38 1pqk h ASN 40 Ca 0.09 -0.18 -0.11 0.00 0.71 0.00 0.00 56.30 56.81 1pqk h ASN 40 Cb 0.68 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 1pqk h ASN 40 CO 0.05 0.88 -0.10 0.00 -1.29 0.00 0.00 177.43 176.98 1pqk h ALA 41 N 1.12 0.72 -0.31 1.57 0.00 -1.88 -1.41 119.26 119.08 1pqk h ALA 41 Ca 0.23 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1pqk h ALA 41 Cb 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1pqk h ALA 41 CO -0.02 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 1pqk h ALA 42 N 0.92 0.26 -0.64 0.00 0.00 -0.89 -1.09 119.26 117.82 1pqk h ALA 42 Ca 0.14 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1pqk h ALA 42 Cb 0.66 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1pqk h ALA 42 CO 0.05 -0.42 0.07 0.87 0.00 0.00 0.00 179.25 179.81 1pqk h LYS 43 N 0.06 1.07 -0.01 0.00 1.57 -0.97 0.62 116.57 118.92 1pqk h LYS 43 Ca 0.15 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1pqk h LYS 43 Cb 0.21 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1pqk h LYS 43 CO -0.27 1.00 -0.18 1.03 -0.57 0.00 0.00 179.45 180.47 1pqk h SER 44 N 1.00 -0.52 -0.87 0.86 0.87 -0.78 0.32 113.55 114.43 1pqk h SER 44 Ca 0.19 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1pqk h SER 44 Cb 0.48 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 1pqk h SER 44 CO 0.02 -0.24 0.47 -0.33 -0.53 0.00 0.00 176.83 176.22 1pqk h GLU 45 N -0.29 1.21 0.04 2.24 4.39 -1.08 -1.77 114.58 119.31 1pqk h GLU 45 Ca 0.06 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1pqk h GLU 45 Cb 0.36 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1pqk h GLU 45 CO -0.17 0.89 -0.02 1.25 -1.16 0.00 0.00 179.01 179.80 1pqk h LEU 46 N 1.21 -0.04 -1.34 1.33 5.85 0.10 -0.91 115.31 121.52 1pqk h LEU 46 Ca 0.30 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1pqk h LEU 46 Cb 0.03 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1pqk h LEU 46 CO -0.05 0.05 0.46 0.44 -0.34 0.00 0.00 178.44 179.00 1pqk h ASP 47 N -0.13 0.76 0.00 1.25 3.32 -0.36 0.10 116.42 121.36 1pqk h ASP 47 Ca -0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1pqk h ASP 47 Cb 0.11 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1pqk h ASP 47 CO 0.01 0.54 -0.00 0.07 -1.72 0.00 0.00 179.24 178.13 1pqk h LYS 48 N 0.89 -0.00 -0.34 3.56 2.10 -0.97 1.88 116.57 123.69 1pqk h LYS 48 Ca 0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.91 1pqk h LYS 48 Cb -0.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 1pqk h LYS 48 CO -0.07 0.33 0.17 0.00 -2.00 0.00 0.00 179.45 177.88 1pqk h ALA 49 N 0.66 1.66 0.15 0.07 0.00 -0.86 -3.04 119.26 117.90 1pqk h ALA 49 Ca -0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1pqk h ALA 49 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pqk h ALA 49 CO 0.00 0.28 -1.73 0.82 0.00 0.00 0.00 179.25 178.62 1pqk h ILE 50 N 0.47 0.94 -0.95 0.00 1.08 -0.61 -3.49 117.51 114.95 1pqk h ILE 50 Ca 0.12 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 1pqk h ILE 50 Cb 0.04 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1pqk h ILE 50 CO -0.02 0.84 0.00 0.61 -0.69 0.00 0.00 178.15 178.89 1pqk n GLY 51 N 1.81 0.94 3.61 5.37 0.00 0.64 -5.05 105.19 112.51 1pqk n GLY 51 Ca -0.23 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1pqk n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pqk s ARG 52 N -4.93 1.11 -0.87 1.61 1.70 -1.11 -5.06 118.95 111.40 1pqk s ARG 52 Ca 0.00 -0.52 -0.19 0.00 -0.47 0.00 0.00 55.73 54.56 1pqk s ARG 52 Cb 0.00 0.44 0.13 0.00 -0.57 0.00 0.00 34.95 34.95 1pqk s ARG 52 CO 0.00 -0.50 1.04 1.21 -1.08 0.00 0.00 175.30 175.97 1pqk s ASN 53 N -2.72 6.56 0.49 -2.89 3.04 -1.26 -4.32 114.94 113.84 1pqk s ASN 53 Ca 0.08 -1.96 0.28 0.00 0.04 0.00 0.00 52.86 51.29 1pqk s ASN 53 Cb -0.02 -2.37 0.93 0.00 -1.54 0.00 0.00 41.25 38.26 1pqk s ASN 53 CO -0.04 -1.05 1.82 0.71 -3.04 0.00 0.00 177.10 175.50 1pqk h THR 54 N 5.74 0.14 -2.25 -5.21 1.35 -1.93 -3.47 112.91 107.29 1pqk h THR 54 Ca 0.07 -0.84 -0.37 0.00 -0.55 0.00 0.00 66.41 64.72 1pqk h THR 54 Cb 1.04 1.74 -0.08 0.00 -1.73 0.00 0.00 68.15 69.12 1pqk h THR 54 CO 1.08 0.06 -0.40 -3.20 -0.25 0.00 0.00 175.52 172.80 1pqk n ASN 55 N -3.15 -5.04 0.00 5.36 5.15 -1.26 -1.27 115.26 115.05 1pqk n ASN 55 Ca 0.02 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1pqk n ASN 55 Cb 0.41 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 1pqk n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pqk n GLY 56 N -0.66 0.72 3.04 8.20 0.00 -1.26 -5.04 105.19 110.21 1pqk n GLY 56 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1pqk n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pqk s VAL 57 N -2.49 1.23 0.39 1.61 1.01 -0.39 -2.63 120.40 119.12 1pqk s VAL 57 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1pqk s VAL 57 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1pqk s VAL 57 CO 0.00 0.38 0.04 0.27 0.00 0.00 0.00 175.10 175.79 1pqk s ILE 58 N 0.63 1.46 0.50 2.22 -4.36 0.11 -4.71 121.20 117.06 1pqk s ILE 58 Ca -0.15 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1pqk s ILE 58 Cb -0.16 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.79 1pqk s ILE 58 CO 0.04 0.00 0.73 0.42 0.24 0.00 0.00 174.94 176.37 1pqk s THR 59 N -3.01 3.28 0.38 8.37 -4.23 -1.26 -4.78 115.64 114.39 1pqk s THR 59 Ca 0.32 -0.59 0.19 0.00 -1.18 0.00 0.00 61.69 60.43 1pqk s THR 59 Cb 0.08 -3.22 0.19 0.00 1.34 0.00 0.00 72.50 70.89 1pqk s THR 59 CO 0.15 -0.15 1.94 0.50 -0.54 0.00 0.00 174.62 176.51 1pqk h LYS 60 N 0.22 0.00 0.00 3.99 3.64 -1.98 -0.12 116.57 122.32 1pqk h LYS 60 Ca -0.44 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.78 1pqk h LYS 60 Cb 1.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1pqk h LYS 60 CO 0.54 0.24 -0.78 -0.44 -2.27 0.00 0.00 179.45 176.75 1pqk h ASP 61 N 0.00 0.00 -0.29 4.20 3.32 -1.99 -2.19 116.42 119.47 1pqk h ASP 61 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1pqk h ASP 61 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1pqk h ASP 61 CO 0.03 0.78 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.51 1pqk h GLU 62 N 0.00 0.87 -0.24 3.56 5.08 -1.70 -1.70 114.58 120.45 1pqk h GLU 62 Ca -0.01 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1pqk h GLU 62 Cb 1.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1pqk h GLU 62 CO 0.10 1.16 0.02 0.00 -1.00 0.00 0.00 179.01 179.28 1pqk h ALA 63 N 0.75 1.59 0.00 3.43 0.00 -0.93 -0.91 119.26 123.18 1pqk h ALA 63 Ca 0.03 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1pqk h ALA 63 Cb 1.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1pqk h ALA 63 CO 0.11 0.31 -0.65 0.93 0.00 0.00 0.00 179.25 179.95 1pqk h GLU 64 N 0.34 0.00 -0.26 0.00 5.08 -1.07 -1.11 114.58 117.57 1pqk h GLU 64 Ca 0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1pqk h GLU 64 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1pqk h GLU 64 CO 0.00 0.65 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.20 1pqk h LYS 65 N 0.00 0.62 -0.58 2.33 3.64 -0.64 0.20 116.57 122.15 1pqk h LYS 65 Ca -0.01 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1pqk h LYS 65 Cb 1.24 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1pqk h LYS 65 CO 0.08 0.92 0.15 -0.07 -2.27 0.00 0.00 179.45 178.27 1pqk h LEU 66 N 0.34 0.82 -0.45 5.20 3.38 -1.00 -2.05 115.31 121.55 1pqk h LEU 66 Ca 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1pqk h LEU 66 Cb 0.81 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1pqk h LEU 66 CO 0.06 0.80 0.15 0.15 0.09 0.00 0.00 178.44 179.69 1pqk h PHE 67 N 0.85 0.72 -0.47 1.13 -0.00 -0.95 -1.09 116.94 117.13 1pqk h PHE 67 Ca 0.19 -0.07 0.04 0.00 -0.00 0.00 0.00 57.97 58.12 1pqk h PHE 67 Cb 0.29 -0.21 -0.04 0.00 -0.00 0.00 0.00 35.95 35.99 1pqk h PHE 67 CO 0.02 0.64 0.25 -0.91 -0.00 0.00 0.00 178.31 178.31 1pqk h ASN 68 N 0.60 0.37 -0.70 0.41 2.35 -0.78 0.54 115.58 118.37 1pqk h ASN 68 Ca 0.15 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1pqk h ASN 68 Cb 0.25 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1pqk h ASN 68 CO -0.01 0.26 0.35 1.56 -1.65 0.00 0.00 177.43 177.95 1pqk h GLN 69 N 0.49 1.00 -0.46 0.81 4.20 -1.03 -2.54 115.11 117.59 1pqk h GLN 69 Ca 0.20 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1pqk h GLN 69 Cb 0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1pqk h GLN 69 CO -0.13 0.77 -0.24 -0.44 -0.67 0.00 0.00 178.83 178.12 1pqk h ASP 70 N 0.97 0.99 -0.01 1.46 3.32 -0.75 -0.30 116.42 122.11 1pqk h ASP 70 Ca 0.24 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1pqk h ASP 70 Cb 0.09 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1pqk h ASP 70 CO -0.03 1.18 -0.00 0.58 -1.72 0.00 0.00 179.24 179.24 1pqk h VAL 71 N 0.82 1.29 -0.92 -1.35 2.07 -0.89 -1.36 116.25 115.90 1pqk h VAL 71 Ca 0.10 -0.84 0.17 0.00 0.82 0.00 0.00 66.70 66.94 1pqk h VAL 71 Cb 0.82 1.85 -0.10 0.00 -1.52 0.00 0.00 31.29 32.33 1pqk h VAL 71 CO 0.07 0.22 0.51 -0.78 0.02 0.00 0.00 177.57 177.61 1pqk h ASP 72 N -0.34 0.64 -0.58 0.57 -0.00 -1.41 0.33 116.42 115.63 1pqk h ASP 72 Ca 0.00 0.10 -0.05 0.00 -0.00 0.00 0.00 57.03 57.07 1pqk h ASP 72 Cb 0.36 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.66 1pqk h ASP 72 CO 0.00 0.24 0.15 0.00 -0.00 0.00 0.00 179.24 179.64 1pqk h ALA 73 N 1.60 0.76 -0.23 -0.78 0.00 -0.87 -0.63 119.26 119.11 1pqk h ALA 73 Ca 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1pqk h ALA 73 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1pqk h ALA 73 CO -0.38 0.46 0.10 0.00 0.00 0.00 0.00 179.25 179.43 1pqk h ALA 74 N 1.03 0.30 -0.15 0.00 0.00 0.09 0.26 119.26 120.79 1pqk h ALA 74 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1pqk h ALA 74 Cb 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1pqk h ALA 74 CO -0.00 -0.13 -0.17 0.28 0.00 0.00 0.00 179.25 179.23 1pqk h VAL 75 N 0.23 0.55 -0.52 0.00 2.07 -0.24 -0.70 116.25 117.64 1pqk h VAL 75 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1pqk h VAL 75 Cb 0.15 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1pqk h VAL 75 CO -0.01 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.69 1pqk h ARG 76 N -0.21 0.82 -0.73 1.57 3.08 -1.00 -2.20 114.38 115.71 1pqk h ARG 76 Ca 0.10 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1pqk h ARG 76 Cb 0.36 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1pqk h ARG 76 CO -0.27 0.77 0.47 0.00 -1.07 0.00 0.00 179.97 179.86 1pqk h ALA 77 N 1.31 0.95 -0.19 0.04 0.00 0.29 -1.50 119.26 120.15 1pqk h ALA 77 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pqk h ALA 77 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pqk h ALA 77 CO 0.01 0.28 0.08 0.28 0.00 0.00 0.00 179.25 179.90 1pqk h VAL 78 N 0.93 1.15 0.00 0.00 2.07 -0.73 -0.98 116.25 118.68 1pqk h VAL 78 Ca 0.29 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1pqk h VAL 78 Cb -0.02 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1pqk h VAL 78 CO -0.10 0.14 -0.14 -0.07 0.02 0.00 0.00 177.57 177.42 1pqk h LEU 79 N 0.17 0.00 0.00 2.57 3.38 -1.17 -2.96 115.31 117.30 1pqk h LEU 79 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1pqk h LEU 79 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1pqk h LEU 79 CO -0.01 0.14 -1.60 -2.11 0.09 0.00 0.00 178.44 174.96 1pqk n ARG 80 N -3.34 0.64 -2.35 1.13 1.85 -0.59 -4.75 116.66 109.25 1pqk n ARG 80 Ca -0.00 0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.49 1pqk n ARG 80 Cb 0.36 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 30.04 1pqk n ARG 80 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1pqk s ASN 81 N -5.31 7.03 0.28 2.89 3.84 -0.38 -4.91 114.94 118.38 1pqk s ASN 81 Ca -0.05 2.19 -0.03 0.00 0.21 0.00 0.00 52.86 55.19 1pqk s ASN 81 Cb 0.10 -2.60 0.39 0.00 -0.55 0.00 0.00 41.25 38.59 1pqk s ASN 81 CO 0.83 -0.46 1.90 0.00 -2.79 0.00 0.00 177.10 176.58 1pqk h ALA 82 N 5.98 1.30 0.00 1.71 0.00 -1.90 0.25 119.26 126.59 1pqk h ALA 82 Ca -0.43 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.16 1pqk h ALA 82 Cb 1.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1pqk h ALA 82 CO 0.79 0.56 -1.16 0.87 0.00 0.00 0.00 179.25 180.30 1pqk h LYS 83 N 1.02 0.00 0.13 0.00 6.56 -1.94 -3.38 116.57 118.96 1pqk h LYS 83 Ca 0.26 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.52 1pqk h LYS 83 Cb 0.06 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1pqk h LYS 83 CO -0.04 0.60 -1.69 -0.07 -2.06 0.00 0.00 179.45 176.19 1pqk h LEU 84 N 0.00 0.43 -0.64 2.94 3.38 -1.75 -3.38 115.31 116.29 1pqk h LEU 84 Ca -0.11 -0.68 0.10 0.00 0.09 0.00 0.00 57.88 57.27 1pqk h LEU 84 Cb 1.70 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 1pqk h LEU 84 CO 0.08 1.58 0.27 0.50 0.09 0.00 0.00 178.44 180.96 1pqk h LYS 85 N 0.08 0.45 -0.25 1.13 3.64 -0.36 0.11 116.57 121.37 1pqk h LYS 85 Ca -0.31 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1pqk h LYS 85 Cb 2.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1pqk h LYS 85 CO 0.15 0.30 -0.00 -1.00 -2.27 0.00 0.00 179.45 176.62 1pqk h PRO 86 N 0.46 0.36 -0.04 1.90 0.13 -1.77 0.30 132.00 133.34 1pqk h PRO 86 Ca 0.32 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.38 1pqk h PRO 86 Cb 0.39 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 1pqk h PRO 86 CO -0.30 0.40 -0.01 0.28 -0.23 0.00 0.00 178.00 178.13 1pqk h VAL 87 N 0.36 1.31 -0.21 1.56 2.07 -1.36 -2.73 116.25 117.24 1pqk h VAL 87 Ca 0.08 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1pqk h VAL 87 Cb 0.25 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1pqk h VAL 87 CO 0.01 0.26 -0.06 0.22 0.02 0.00 0.00 177.57 178.01 1pqk h TYR 88 N -0.28 -0.13 -0.99 1.57 5.03 -0.37 -2.12 116.97 119.68 1pqk h TYR 88 Ca 0.01 0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.54 1pqk h TYR 88 Cb 0.42 0.09 -0.10 0.00 1.55 0.00 0.00 36.73 38.70 1pqk h TYR 88 CO 0.06 -0.10 0.61 -0.44 -1.32 0.00 0.00 178.16 176.97 1pqk h ASP 89 N -0.01 0.69 1.54 -2.11 3.45 -0.92 -0.34 116.42 118.72 1pqk h ASP 89 Ca 0.10 0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 1pqk h ASP 89 Cb 0.17 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1pqk h ASP 89 CO -0.23 0.25 -0.22 0.77 -1.57 0.00 0.00 179.24 178.25 1pqk h SER 90 N 0.68 0.00 -3.81 6.45 4.64 -1.07 -3.47 113.55 116.96 1pqk h SER 90 Ca 0.55 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.38 1pqk h SER 90 Cb 0.98 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.12 1pqk h SER 90 CO -0.33 0.22 0.21 -0.76 -0.87 0.00 0.00 176.83 175.30 1pqk s LEU 91 N -6.40 3.37 0.58 5.97 1.43 -0.14 -5.05 118.68 118.45 1pqk s LEU 91 Ca 0.04 0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.02 1pqk s LEU 91 Cb 0.07 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 1pqk s LEU 91 CO 0.68 -0.85 0.95 1.51 0.23 0.00 0.00 176.35 178.86 1pqk s ASP 92 N -4.20 6.05 0.47 2.29 1.47 -1.26 -4.80 116.67 116.68 1pqk s ASP 92 Ca 0.52 1.13 0.17 0.00 1.18 0.00 0.00 52.55 55.55 1pqk s ASP 92 Cb -0.11 -2.22 1.15 0.00 -0.34 0.00 0.00 42.92 41.40 1pqk s ASP 92 CO 0.47 -0.87 2.01 0.00 0.68 0.00 0.00 175.17 177.46 1pqk h ALA 93 N -0.18 2.13 -0.05 2.11 0.00 -1.97 0.11 119.26 121.42 1pqk h ALA 93 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1pqk h ALA 93 Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pqk h ALA 93 CO 0.62 -0.25 -0.05 0.28 0.00 0.00 0.00 179.25 179.85 1pqk h VAL 94 N 0.25 1.37 -0.01 0.00 2.07 -1.93 -3.06 116.25 114.94 1pqk h VAL 94 Ca 0.23 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 1pqk h VAL 94 Cb 0.57 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1pqk h VAL 94 CO -0.05 0.32 -0.43 0.03 0.02 0.00 0.00 177.57 177.47 1pqk h ARG 95 N -0.33 0.02 -0.96 1.57 3.08 -1.72 -2.16 114.38 113.88 1pqk h ARG 95 Ca 0.01 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1pqk h ARG 95 Cb 0.54 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1pqk h ARG 95 CO 0.01 0.44 0.61 0.00 -1.07 0.00 0.00 179.97 179.97 1pqk h ARG 96 N 0.02 0.97 -0.77 0.04 3.08 -0.80 -0.91 114.38 116.00 1pqk h ARG 96 Ca -0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1pqk h ARG 96 Cb 0.76 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1pqk h ARG 96 CO 0.06 0.64 0.32 0.00 -1.07 0.00 0.00 179.97 179.91 1pqk h ALA 97 N 1.52 1.00 -0.55 0.04 0.00 -1.29 0.02 119.26 120.01 1pqk h ALA 97 Ca 0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pqk h ALA 97 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pqk h ALA 97 CO -0.20 0.61 0.34 0.00 0.00 0.00 0.00 179.25 180.00 1pqk h ALA 98 N 1.16 0.70 -0.22 0.00 0.00 -1.12 0.87 119.26 120.64 1pqk h ALA 98 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1pqk h ALA 98 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1pqk h ALA 98 CO -0.02 0.17 0.09 1.25 0.00 0.00 0.00 179.25 180.74 1pqk h LEU 99 N 0.74 0.30 -1.54 0.00 5.85 -0.95 -1.75 115.31 117.96 1pqk h LEU 99 Ca 0.20 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1pqk h LEU 99 Cb -0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1pqk h LEU 99 CO -0.04 0.38 0.18 0.40 -0.34 0.00 0.00 178.44 179.03 1pqk h ILE 100 N 0.20 1.12 -0.21 4.05 2.04 -0.72 -1.82 117.51 122.19 1pqk h ILE 100 Ca 0.07 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1pqk h ILE 100 Cb 0.17 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1pqk h ILE 100 CO -0.01 0.14 0.11 -1.13 0.00 0.00 0.00 178.15 177.26 1pqk h ASN 101 N 0.50 0.26 -0.58 1.72 -0.73 -0.43 -1.17 115.58 115.14 1pqk h ASN 101 Ca 0.13 -0.09 0.04 0.00 1.87 0.00 0.00 56.30 58.25 1pqk h ASN 101 Cb 0.04 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 1pqk h ASN 101 CO -0.02 0.27 0.33 0.24 -0.37 0.00 0.00 177.43 177.88 1pqk h MET 102 N 0.22 0.61 -0.85 6.67 2.86 -0.54 0.32 114.93 124.23 1pqk h MET 102 Ca 0.07 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1pqk h MET 102 Cb 0.07 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1pqk h MET 102 CO -0.01 0.41 0.50 0.28 1.06 0.00 0.00 176.91 179.14 1pqk h VAL 103 N 0.63 1.24 0.04 -2.22 2.07 -1.18 0.67 116.25 117.51 1pqk h VAL 103 Ca 0.25 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1pqk h VAL 103 Cb 0.10 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1pqk h VAL 103 CO -0.14 0.25 -0.02 0.15 0.02 0.00 0.00 177.57 177.84 1pqk h PHE 104 N 1.17 -0.05 -0.34 1.57 3.04 -0.35 2.02 116.94 124.00 1pqk h PHE 104 Ca 0.30 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.20 1pqk h PHE 104 Cb -0.03 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1pqk h PHE 104 CO 0.00 -0.01 -0.00 0.37 -2.02 0.00 0.00 178.31 176.65 1pqk h GLN 105 N -0.08 0.60 0.00 1.11 4.15 0.08 -3.37 115.11 117.59 1pqk h GLN 105 Ca -0.01 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1pqk h GLN 105 Cb 0.07 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1pqk h GLN 105 CO 0.01 0.72 0.00 0.00 -1.93 0.00 0.00 178.83 177.63 1pqk n MET 106 N -4.52 1.35 0.00 1.69 0.00 0.23 -5.09 117.12 110.78 1pqk n MET 106 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 57.70 56.60 1pqk n MET 106 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.50 1pqk n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pqk n GLY 107 N -0.29 -1.50 0.22 3.17 0.00 0.68 -3.88 105.19 103.59 1pqk n GLY 107 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 1pqk n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pqk h GLU 108 N 0.00 0.27 -0.48 1.61 4.81 -1.92 -1.73 114.58 117.15 1pqk h GLU 108 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1pqk h GLU 108 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1pqk h GLU 108 CO 0.00 0.18 0.16 1.15 -0.73 0.00 0.00 179.01 179.77 1pqk h THR 109 N 0.28 1.22 0.35 0.32 2.02 -1.95 0.57 112.91 115.73 1pqk h THR 109 Ca 0.28 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1pqk h THR 109 Cb 0.39 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1pqk h THR 109 CO -0.35 0.27 -0.17 1.23 0.37 0.00 0.00 175.52 176.87 1pqk h GLY 110 N 0.63 -0.50 0.94 2.16 0.00 -1.53 -2.05 103.07 102.73 1pqk h GLY 110 Ca 0.15 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.68 1pqk h GLY 110 CO -0.01 -0.18 0.38 -2.08 0.00 0.00 0.00 176.54 174.65 1pqk h VAL 111 N -0.53 1.11 -0.01 4.60 2.07 -1.30 -0.21 116.25 121.99 1pqk h VAL 111 Ca -0.05 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1pqk h VAL 111 Cb 0.40 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1pqk h VAL 111 CO 0.08 0.14 0.10 0.00 0.02 0.00 0.00 177.57 177.91 1pqk h ALA 112 N 1.24 1.14 0.00 1.67 0.00 -0.75 0.33 119.26 122.89 1pqk h ALA 112 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pqk h ALA 112 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pqk h ALA 112 CO -0.07 -0.10 0.00 0.78 0.00 0.00 0.00 179.25 179.86 1pqk h GLY 113 N 0.00 0.00 -5.29 0.00 0.00 -0.28 -3.30 103.07 94.19 1pqk h GLY 113 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1pqk h GLY 113 CO -0.00 0.00 2.74 0.69 0.00 0.00 0.00 176.54 179.97 1pqk n PHE 114 N -2.51 2.39 -0.37 5.60 3.72 0.11 -4.81 117.46 121.60 1pqk n PHE 114 Ca 0.02 -2.83 0.00 0.00 -0.05 0.00 0.00 57.45 54.59 1pqk n PHE 114 Cb 0.28 -2.05 0.06 0.00 -0.94 0.00 0.00 39.48 36.83 1pqk n PHE 114 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pqk n THR 115 N 2.39 -0.49 0.11 4.37 -1.04 -1.25 -1.59 114.28 116.78 1pqk n THR 115 Ca 0.67 2.25 -0.18 0.00 -2.04 0.00 0.00 64.05 64.75 1pqk n THR 115 Cb 0.28 -3.00 -0.14 0.00 -1.82 0.00 0.00 70.33 65.65 1pqk n THR 115 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1pqk h ASN 116 N 0.00 0.52 -0.69 8.00 2.35 -1.94 -2.96 115.58 120.86 1pqk h ASN 116 Ca 0.36 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.51 1pqk h ASN 116 Cb 0.60 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1pqk h ASN 116 CO -0.96 1.45 0.33 0.28 -1.65 0.00 0.00 177.43 176.88 1pqk h SER 117 N 0.09 0.91 -0.09 5.81 0.02 -1.73 -1.09 113.55 117.47 1pqk h SER 117 Ca -0.18 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.48 1pqk h SER 117 Cb 2.03 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 1pqk h SER 117 CO 0.22 0.79 -0.49 0.16 -1.14 0.00 0.00 176.83 176.37 1pqk h ILE 118 N 0.97 1.30 -0.65 3.27 3.07 -1.40 -2.16 117.51 121.91 1pqk h ILE 118 Ca 0.24 -1.69 0.01 0.00 1.55 0.00 0.00 64.86 64.96 1pqk h ILE 118 Cb 0.13 1.64 -0.03 0.00 -0.27 0.00 0.00 36.82 38.28 1pqk h ILE 118 CO -0.03 0.54 0.42 -0.09 -1.05 0.00 0.00 178.15 177.94 1pqk h ARG 119 N 0.52 0.85 -0.41 0.16 2.43 -1.31 -0.62 114.38 116.00 1pqk h ARG 119 Ca 0.03 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1pqk h ARG 119 Cb 1.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1pqk h ARG 119 CO 0.10 0.57 0.02 1.88 -1.51 0.00 0.00 179.97 181.03 1pqk h TYR 120 N 0.88 0.68 0.14 2.20 0.99 -0.94 -1.29 116.97 119.63 1pqk h TYR 120 Ca 0.24 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 1pqk h TYR 120 Cb -0.09 -0.19 -0.00 0.00 1.00 0.00 0.00 36.73 37.44 1pqk h TYR 120 CO -0.03 0.63 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.60 1pqk h LEU 121 N 0.62 -0.24 -2.03 3.88 3.38 -0.74 0.95 115.31 121.13 1pqk h LEU 121 Ca 0.13 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1pqk h LEU 121 Cb 0.35 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1pqk h LEU 121 CO 0.01 -0.16 0.13 -0.61 0.09 0.00 0.00 178.44 177.91 1pqk h GLN 122 N -0.24 0.00 -0.05 1.13 4.15 -0.58 -0.39 115.11 119.13 1pqk h GLN 122 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1pqk h GLN 122 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1pqk h GLN 122 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.94 1pqk n GLN 123 N -4.43 2.04 -2.55 1.69 6.02 -0.54 -4.93 117.38 114.68 1pqk n GLN 123 Ca 0.01 -1.51 -0.17 0.00 -0.01 0.00 0.00 57.00 55.32 1pqk n GLN 123 Cb 0.27 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.07 1pqk n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pqk n LYS 124 N 0.83 -2.43 -2.83 -1.09 5.02 0.32 -4.90 118.16 113.08 1pqk n LYS 124 Ca 0.16 0.75 -0.43 0.00 -2.02 0.00 0.00 58.31 56.77 1pqk n LYS 124 Cb 0.49 -5.15 0.01 0.00 -0.02 0.00 0.00 35.03 30.35 1pqk n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqk n ARG 125 N -2.88 4.34 -0.28 1.97 1.74 0.30 -4.85 116.66 117.01 1pqk n ARG 125 Ca -0.14 -4.32 0.07 0.00 -0.77 0.00 0.00 57.85 52.68 1pqk n ARG 125 Cb 0.62 -2.60 0.22 0.00 -1.02 0.00 0.00 32.46 29.68 1pqk n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1pqk h TRP 126 N 5.43 0.66 -0.16 -1.55 -0.00 -1.88 -1.57 115.95 116.88 1pqk h TRP 126 Ca 0.26 0.04 -0.15 0.00 -0.00 0.00 0.00 58.89 59.03 1pqk h TRP 126 Cb 0.60 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.58 1pqk h TRP 126 CO 1.09 0.12 -0.54 -0.44 -0.00 0.00 0.00 178.44 178.67 1pqk h ASP 127 N 0.53 0.53 -0.41 -3.49 3.32 -1.92 -1.37 116.42 113.62 1pqk h ASP 127 Ca 0.45 -0.28 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1pqk h ASP 127 Cb 0.67 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1pqk h ASP 127 CO -0.39 0.97 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.50 1pqk h GLU 128 N 0.37 0.93 0.04 3.56 5.08 -1.90 0.11 114.58 122.78 1pqk h GLU 128 Ca 0.01 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1pqk h GLU 128 Cb 1.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1pqk h GLU 128 CO 0.10 1.08 -0.02 0.00 -1.00 0.00 0.00 179.01 179.17 1pqk h ALA 129 N 0.89 -0.06 -0.27 3.43 0.00 -1.20 -0.35 119.26 121.71 1pqk h ALA 129 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1pqk h ALA 129 Cb 0.84 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1pqk h ALA 129 CO 0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 179.25 178.80 1pqk h ALA 130 N 0.85 0.22 -0.37 0.00 0.00 -1.02 0.47 119.26 119.40 1pqk h ALA 130 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pqk h ALA 130 Cb 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1pqk h ALA 130 CO 0.01 -0.43 0.24 0.28 0.00 0.00 0.00 179.25 179.35 1pqk h VAL 131 N 0.06 1.10 -0.20 0.00 2.07 -0.65 -1.00 116.25 117.62 1pqk h VAL 131 Ca 0.13 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1pqk h VAL 131 Cb 0.17 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1pqk h VAL 131 CO -0.23 0.09 0.12 0.78 0.02 0.00 0.00 177.57 178.35 1pqk h ASN 132 N 0.50 0.25 -0.13 0.57 2.35 -0.09 -1.51 115.58 117.51 1pqk h ASN 132 Ca 0.13 -0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1pqk h ASN 132 Cb -0.05 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1pqk h ASN 132 CO -0.03 0.25 0.11 -0.26 -1.65 0.00 0.00 177.43 175.85 1pqk h PHE 133 N 0.23 0.00 0.00 1.19 0.04 0.25 -0.57 116.94 118.08 1pqk h PHE 133 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1pqk h PHE 133 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1pqk h PHE 133 CO -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.67 1pqk n ALA 134 N -2.49 2.01 1.69 2.45 0.00 -0.41 -2.71 120.51 121.04 1pqk n ALA 134 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1pqk n ALA 134 Cb 0.23 -1.40 0.50 0.00 0.00 0.00 0.00 19.45 18.77 1pqk n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pqk n LYS 135 N -1.95 1.30 -3.43 0.00 5.02 -0.22 -4.85 118.16 114.03 1pqk n LYS 135 Ca 0.05 -0.44 -0.23 0.00 -2.02 0.00 0.00 58.31 55.66 1pqk n LYS 135 Cb 0.31 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1pqk n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pqk s SER 136 N -1.60 6.20 0.23 4.39 1.04 -1.10 -4.98 113.70 117.87 1pqk s SER 136 Ca 0.30 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.99 1pqk s SER 136 Cb 0.15 -1.86 0.22 0.00 0.10 0.00 0.00 66.02 64.63 1pqk s SER 136 CO 0.24 -0.33 1.76 -0.09 0.98 0.00 0.00 173.24 175.80 1pqk h ARG 137 N 0.78 1.04 -0.57 4.02 2.43 -1.91 -2.53 114.38 117.64 1pqk h ARG 137 Ca -0.49 -0.23 0.12 0.00 -0.81 0.00 0.00 59.98 58.56 1pqk h ARG 137 Cb 1.23 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.53 1pqk h ARG 137 CO 0.60 0.91 -0.07 2.35 -1.51 0.00 0.00 179.97 182.25 1pqk h TRP 138 N 0.99 -0.18 -0.90 2.20 7.01 -1.94 0.45 115.95 123.59 1pqk h TRP 138 Ca 0.21 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.34 1pqk h TRP 138 Cb 0.33 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.50 1pqk h TRP 138 CO 0.02 -0.20 0.58 -0.92 -2.79 0.00 0.00 178.44 175.14 1pqk h TYR 139 N 0.05 1.01 0.15 2.65 3.20 -1.68 -0.87 116.97 121.48 1pqk h TYR 139 Ca 0.28 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.87 1pqk h TYR 139 Cb 0.44 -0.33 0.03 0.00 1.54 0.00 0.00 36.73 38.42 1pqk h TYR 139 CO -0.41 0.50 -1.30 -0.91 -1.64 0.00 0.00 178.16 174.40 1pqk h ASN 140 N 0.97 0.88 -0.24 -2.11 2.35 -0.80 -2.90 115.58 113.72 1pqk h ASN 140 Ca 0.40 -0.84 -0.11 0.00 -0.55 0.00 0.00 56.30 55.20 1pqk h ASN 140 Cb 0.29 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1pqk h ASN 140 CO -0.16 1.64 -0.27 1.56 -1.65 0.00 0.00 177.43 178.54 1pqk h GLN 141 N 0.25 0.61 -2.07 0.81 7.50 0.18 -3.36 115.11 119.02 1pqk h GLN 141 Ca -0.20 -0.33 -0.56 0.00 0.50 0.00 0.00 58.65 58.05 1pqk h GLN 141 Cb 1.98 0.02 -0.40 0.00 0.05 0.00 0.00 27.48 29.13 1pqk h GLN 141 CO 0.25 0.94 -0.94 0.25 -1.50 0.00 0.00 178.83 177.83 1pqk n THR 142 N -4.33 0.50 -0.26 -0.54 -2.24 -0.36 -4.98 114.28 102.07 1pqk n THR 142 Ca -0.05 -4.53 0.05 0.00 -2.27 0.00 0.00 64.05 57.25 1pqk n THR 142 Cb 0.46 -1.78 0.19 0.00 -2.10 0.00 0.00 70.33 67.09 1pqk n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pqk h PRO 143 N 3.88 0.43 -0.05 -0.78 0.13 -1.67 0.04 132.00 133.98 1pqk h PRO 143 Ca 0.12 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1pqk h PRO 143 Cb 0.80 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1pqk h PRO 143 CO 0.60 0.29 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.74 1pqk h ASN 144 N 0.45 0.10 -0.03 1.44 2.35 -1.94 0.82 115.58 118.77 1pqk h ASN 144 Ca 0.41 -0.34 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 1pqk h ASN 144 Cb 0.62 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1pqk h ASN 144 CO -0.40 0.42 -0.37 0.08 -1.65 0.00 0.00 177.43 175.51 1pqk h ARG 145 N -0.22 0.53 -0.62 0.81 0.11 -1.94 -1.27 114.38 111.78 1pqk h ARG 145 Ca 0.01 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1pqk h ARG 145 Cb 0.37 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.42 1pqk h ARG 145 CO 0.00 0.82 0.39 0.00 0.10 0.00 0.00 179.97 181.29 1pqk h ALA 146 N 1.15 0.78 -0.78 0.08 0.00 -0.83 -1.28 119.26 118.38 1pqk h ALA 146 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1pqk h ALA 146 Cb 0.85 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1pqk h ALA 146 CO 0.07 0.24 0.33 0.87 0.00 0.00 0.00 179.25 180.76 1pqk h LYS 147 N 0.83 1.16 -0.51 0.00 1.57 -0.51 -1.18 116.57 117.94 1pqk h LYS 147 Ca 0.22 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1pqk h LYS 147 Cb -0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1pqk h LYS 147 CO -0.04 0.93 0.01 0.00 -0.57 0.00 0.00 179.45 179.77 1pqk h ARG 148 N 1.13 0.84 -0.80 3.15 3.08 -0.39 -0.76 114.38 120.64 1pqk h ARG 148 Ca 0.26 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1pqk h ARG 148 Cb 0.19 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1pqk h ARG 148 CO -0.03 0.84 0.47 0.82 -1.07 0.00 0.00 179.97 181.01 1pqk h ILE 149 N 0.79 1.23 -0.36 2.04 5.03 -0.94 -0.63 117.51 124.66 1pqk h ILE 149 Ca 0.15 -0.51 -0.11 0.00 -0.12 0.00 0.00 64.86 64.27 1pqk h ILE 149 Cb 0.46 0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 34.37 1pqk h ILE 149 CO 0.02 0.24 -0.23 0.40 -0.68 0.00 0.00 178.15 177.91 1pqk h ILE 150 N 1.09 1.27 -0.26 -0.67 2.04 -0.88 -0.87 117.51 119.23 1pqk h ILE 150 Ca 0.28 -1.31 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 1pqk h ILE 150 Cb -0.02 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1pqk h ILE 150 CO -0.05 0.43 -0.27 0.71 0.00 0.00 0.00 178.15 178.97 1pqk h THR 151 N 0.61 1.27 0.09 -0.27 1.35 -0.59 0.17 112.91 115.55 1pqk h THR 151 Ca 0.09 -1.32 -0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1pqk h THR 151 Cb 0.71 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1pqk h THR 151 CO 0.05 0.42 -0.04 0.58 -0.25 0.00 0.00 175.52 176.28 1pqk h VAL 152 N 0.45 0.97 -0.58 6.82 2.07 -0.46 0.62 116.25 126.14 1pqk h VAL 152 Ca 0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1pqk h VAL 152 Cb 0.71 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1pqk h VAL 152 CO 0.05 0.05 0.33 -0.26 0.02 0.00 0.00 177.57 177.77 1pqk h PHE 153 N -0.21 0.77 -0.29 1.57 0.05 -0.96 1.71 116.94 119.59 1pqk h PHE 153 Ca -0.01 -0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.61 1pqk h PHE 153 Cb 0.17 -0.25 -0.00 0.00 2.00 0.00 0.00 35.95 37.87 1pqk h PHE 153 CO -0.04 0.53 -0.45 0.00 -0.18 0.00 0.00 178.31 178.16 1pqk h ARG 154 N 0.81 0.81 0.00 1.51 3.08 -0.34 -3.37 114.38 116.87 1pqk h ARG 154 Ca 0.21 -0.49 -0.37 0.00 0.07 0.00 0.00 59.98 59.40 1pqk h ARG 154 Cb -0.00 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 1pqk h ARG 154 CO -0.04 1.12 -2.38 0.25 -1.07 0.00 0.00 179.97 177.86 1pqk n THR 155 N -4.10 1.41 -1.04 2.04 -2.24 0.18 -4.95 114.28 105.59 1pqk n THR 155 Ca -0.04 -0.82 -0.01 0.00 -2.27 0.00 0.00 64.05 60.90 1pqk n THR 155 Cb 0.57 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1pqk n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqk n GLY 156 N 1.81 0.48 3.55 3.38 0.00 0.58 -5.02 105.19 109.98 1pqk n GLY 156 Ca -0.34 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1pqk n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pqk s THR 157 N -1.88 2.87 -2.18 2.61 -4.23 -1.25 -4.84 115.64 106.74 1pqk s THR 157 Ca 0.00 -2.18 0.18 0.00 -1.18 0.00 0.00 61.69 58.51 1pqk s THR 157 Cb 0.00 -2.56 0.42 0.00 1.34 0.00 0.00 72.50 71.70 1pqk s THR 157 CO 0.00 -0.37 1.43 0.79 -0.54 0.00 0.00 174.62 175.92 1pqk n TRP 158 N -0.76 0.42 -0.34 3.99 7.02 -1.26 -4.34 117.44 122.17 1pqk n TRP 158 Ca -0.05 -0.21 0.22 0.00 -1.02 0.00 0.00 57.50 56.44 1pqk n TRP 158 Cb 0.60 0.00 0.45 0.00 -2.42 0.00 0.00 31.31 29.94 1pqk n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1pqk h ASP 159 N 2.68 0.56 -0.07 -0.99 3.32 -1.96 0.41 116.42 120.36 1pqk h ASP 159 Ca 0.00 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1pqk h ASP 159 Cb 0.60 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1pqk h ASP 159 CO 0.00 -0.03 0.08 0.00 -1.72 0.00 0.00 179.24 177.57 1pqk h ALA 160 N 1.77 1.67 -0.01 3.45 0.00 -1.91 -0.73 119.26 123.51 1pqk h ALA 160 Ca 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1pqk h ALA 160 Cb 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1pqk h ALA 160 CO -0.52 -0.11 -0.45 0.66 0.00 0.00 0.00 179.25 178.83 1pqk n TYR 161 N -3.88 0.00 0.54 0.00 4.01 0.14 -4.12 117.16 113.85 1pqk n TYR 161 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 1pqk n TYR 161 Cb 0.17 -0.06 0.04 0.00 -0.31 0.00 0.00 39.34 39.18 1pqk n TYR 161 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1pqk n LYS 162 N -0.48 1.10 -3.25 -0.72 5.02 -0.31 -4.70 118.16 114.81 1pqk n LYS 162 Ca 0.10 -1.11 -0.26 0.00 -2.02 0.00 0.00 58.31 55.02 1pqk n LYS 162 Cb 0.40 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 1pqk n LYS 162 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pqk n ASN 163 N 0.48 2.99 -0.89 4.39 3.02 -1.02 -5.08 115.26 119.15 1pqk n ASN 163 Ca 0.07 -3.32 0.12 0.00 -0.03 0.00 0.00 54.58 51.42 1pqk n ASN 163 Cb 0.31 -0.64 0.16 0.00 -0.61 0.00 0.00 39.78 39.00 1pqk n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82