#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 0.35 0.35 6.12 2.20 -1.26 -5.03 114.94 117.67 1pqk s ASN 2 Ca 0.00 -1.23 0.12 0.00 -0.94 0.00 0.00 52.86 50.81 1pqk s ASN 2 Cb 0.00 0.59 0.93 0.00 -2.00 0.00 0.00 41.25 40.77 1pqk s ASN 2 CO 0.00 -1.17 1.79 -0.29 -2.94 0.00 0.00 177.10 174.49 1pqk h ILE 3 N 2.25 0.63 0.30 0.54 6.09 -1.98 -0.47 117.51 124.87 1pqk h ILE 3 Ca -0.29 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 1pqk h ILE 3 Cb 1.25 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1pqk h ILE 3 CO 0.39 0.10 -0.14 0.15 -3.07 0.00 0.00 178.15 175.58 1pqk h PHE 4 N 0.57 -0.37 -0.78 2.19 3.57 -1.98 0.15 116.94 120.28 1pqk h PHE 4 Ca 0.57 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.07 1pqk h PHE 4 Cb 1.16 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 1pqk h PHE 4 CO -0.00 -0.14 0.52 0.93 -2.23 0.00 0.00 178.31 177.38 1pqk h GLU 5 N -0.54 1.03 -0.23 1.11 4.39 -1.72 0.19 114.58 118.80 1pqk h GLU 5 Ca -0.04 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1pqk h GLU 5 Cb 0.40 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1pqk h GLU 5 CO 0.07 0.68 -0.01 1.98 -1.16 0.00 0.00 179.01 180.57 1pqk h MET 6 N 1.06 0.42 -0.15 2.33 4.05 -1.00 -2.18 114.93 119.45 1pqk h MET 6 Ca 0.29 -0.14 -0.11 0.00 -0.28 0.00 0.00 59.70 59.46 1pqk h MET 6 Cb -0.11 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1pqk h MET 6 CO -0.07 0.60 -0.39 -0.07 0.23 0.00 0.00 176.91 177.21 1pqk h LEU 7 N 0.19 0.35 -1.68 3.39 3.38 -0.44 -1.70 115.31 118.80 1pqk h LEU 7 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pqk h LEU 7 Cb 0.42 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1pqk h LEU 7 CO 0.01 0.71 0.19 -0.09 0.09 0.00 0.00 178.44 179.36 1pqk h ARG 8 N 0.28 0.40 -0.14 1.13 2.43 -0.46 0.66 114.38 118.68 1pqk h ARG 8 Ca 0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1pqk h ARG 8 Cb 0.82 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1pqk h ARG 8 CO 0.07 0.28 -0.04 0.82 -1.51 0.00 0.00 179.97 179.58 1pqk h ILE 9 N 0.42 1.29 -0.04 1.20 2.04 -0.67 0.34 117.51 122.08 1pqk h ILE 9 Ca 0.11 -1.00 -0.15 0.00 1.00 0.00 0.00 64.86 64.82 1pqk h ILE 9 Cb -0.03 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1pqk h ILE 9 CO -0.02 0.29 -0.57 0.44 0.00 0.00 0.00 178.15 178.30 1pqk h ASP 10 N -0.03 0.57 0.35 1.72 3.32 -1.13 -3.35 116.42 117.86 1pqk h ASP 10 Ca 0.04 -0.71 -0.00 0.00 0.02 0.00 0.00 57.03 56.38 1pqk h ASP 10 Cb 0.47 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1pqk h ASP 10 CO 0.02 1.20 -1.65 -0.62 -1.72 0.00 0.00 179.24 176.46 1pqk n GLU 11 N -4.22 0.64 0.00 3.56 -0.58 0.23 -5.06 120.64 115.21 1pqk n GLU 11 Ca -0.09 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1pqk n GLU 11 Cb 0.64 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1pqk n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqk n GLY 12 N 1.23 -1.21 3.13 0.62 0.00 0.12 -4.67 105.19 104.41 1pqk n GLY 12 Ca -0.03 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.51 5.31 -0.25 0.99 2.96 -1.25 -4.22 118.68 119.70 1pqk s LEU 13 Ca 0.00 -2.17 -0.05 0.00 -0.22 0.00 0.00 54.13 51.69 1pqk s LEU 13 Cb 0.00 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 1pqk s LEU 13 CO 0.00 -0.53 0.02 -0.13 -1.32 0.00 0.00 176.35 174.39 1pqk s ARG 14 N 0.94 3.29 0.00 1.98 1.81 -0.87 -4.94 118.95 121.17 1pqk s ARG 14 Ca 0.10 -0.70 0.28 0.00 -1.72 0.00 0.00 55.73 53.69 1pqk s ARG 14 Cb -0.23 -3.19 1.13 0.00 -0.45 0.00 0.00 34.95 32.21 1pqk s ARG 14 CO -0.04 -0.29 1.80 1.28 -0.68 0.00 0.00 175.30 177.37 1pqk n LEU 15 N 4.83 0.44 -4.36 2.53 4.77 -1.26 0.11 117.00 124.07 1pqk n LEU 15 Ca -0.16 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.59 1pqk n LEU 15 Cb 0.50 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 1pqk n LEU 15 CO 0.30 0.09 -0.55 -0.54 -1.33 0.00 0.00 177.39 175.35 1pqk s LYS 16 N -2.60 1.32 0.29 3.23 3.01 -1.26 -1.56 119.74 122.17 1pqk s LYS 16 Ca 0.25 -1.29 -0.30 0.00 -1.01 0.00 0.00 55.97 53.62 1pqk s LYS 16 Cb 0.20 -1.75 -0.12 0.00 -1.01 0.00 0.00 37.83 35.15 1pqk s LYS 16 CO 0.51 0.41 1.58 -0.89 0.51 0.00 0.00 175.35 177.47 1pqk n ILE 17 N 0.97 1.01 -4.16 2.17 5.41 -1.02 -4.69 119.36 119.05 1pqk n ILE 17 Ca -0.18 -0.25 -0.11 0.00 1.00 0.00 0.00 62.75 63.20 1pqk n ILE 17 Cb 0.53 -1.91 -0.09 0.00 -0.71 0.00 0.00 39.64 37.45 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 0.00 1.00 -0.23 1.39 -0.85 0.97 -4.96 117.35 114.67 1pqk s TYR 18 Ca 0.65 -1.26 -0.09 0.00 -0.52 0.00 0.00 57.07 55.84 1pqk s TYR 18 Cb -0.51 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.35 1pqk s TYR 18 CO 0.48 -0.68 0.12 0.15 -1.52 0.00 0.00 175.55 174.11 1pqk s LYS 19 N -4.12 3.97 0.00 -3.49 1.02 -1.26 0.83 119.74 116.69 1pqk s LYS 19 Ca 0.35 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1pqk s LYS 19 Cb 0.06 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1pqk s LYS 19 CO 0.10 0.06 0.00 -0.40 -0.92 0.00 0.00 175.35 174.19 1pqk n ASP 20 N 4.24 -0.47 -0.02 2.83 5.68 0.42 -4.76 116.55 124.48 1pqk n ASP 20 Ca -0.16 -0.23 -0.11 0.00 -0.50 0.00 0.00 54.79 53.79 1pqk n ASP 20 Cb 0.52 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1pqk n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1pqk h THR 21 N -0.97 1.09 0.00 2.12 1.35 -1.99 -2.26 112.91 112.25 1pqk h THR 21 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1pqk h THR 21 Cb 0.00 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1pqk h THR 21 CO 0.00 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 174.73 1pqk n GLU 22 N -4.95 0.66 -0.24 4.72 1.02 -1.26 -4.84 120.64 115.75 1pqk n GLU 22 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1pqk n GLU 22 Cb 0.07 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.30 0.69 3.76 0.62 0.00 -0.85 -5.07 105.19 104.63 1pqk n GLY 23 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.34 3.97 -0.04 1.61 1.51 -1.26 -4.48 117.35 116.31 1pqk s TYR 24 Ca 0.00 1.87 -0.30 0.00 -1.01 0.00 0.00 57.07 57.63 1pqk s TYR 24 Cb 0.00 -2.94 -0.06 0.00 -0.11 0.00 0.00 41.96 38.84 1pqk s TYR 24 CO 0.00 0.47 1.79 0.71 -1.11 0.00 0.00 175.55 177.41 1pqk s TYR 25 N -1.18 1.69 0.12 2.71 1.51 -1.25 0.16 117.35 121.11 1pqk s TYR 25 Ca 0.40 -0.00 -0.00 0.00 -1.01 0.00 0.00 57.07 56.46 1pqk s TYR 25 Cb -0.25 -4.04 -0.04 0.00 -0.11 0.00 0.00 41.96 37.51 1pqk s TYR 25 CO 0.31 -4.42 0.02 0.99 -1.11 0.00 0.00 175.55 171.34 1pqk s THR 26 N 4.50 0.25 0.22 -0.71 2.01 0.24 -0.25 115.64 121.91 1pqk s THR 26 Ca 0.80 -1.90 -0.19 0.00 0.31 0.00 0.00 61.69 60.72 1pqk s THR 26 Cb -0.36 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1pqk s THR 26 CO 0.34 -0.62 0.58 -0.51 -0.69 0.00 0.00 174.62 173.73 1pqk s ILE 27 N -3.93 0.01 0.00 1.82 2.07 0.50 -0.02 121.20 121.64 1pqk s ILE 27 Ca 0.19 -0.84 0.00 0.00 -1.41 0.00 0.00 60.65 58.59 1pqk s ILE 27 Cb 0.07 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.94 1pqk s ILE 27 CO -0.01 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 1pqk n GLY 28 N -0.39 3.20 3.33 1.50 0.00 0.31 0.66 105.19 113.79 1pqk n GLY 28 Ca -0.08 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 1pqk n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqk s ILE 29 N 0.00 5.86 -1.49 -0.61 1.01 -1.26 -2.04 121.20 122.67 1pqk s ILE 29 Ca 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 60.65 57.26 1pqk s ILE 29 Cb 0.00 -4.54 0.02 0.00 0.01 0.00 0.00 42.46 37.96 1pqk s ILE 29 CO 0.00 -1.16 0.61 0.61 0.00 0.00 0.00 174.94 175.00 1pqk n GLY 30 N 2.85 -0.52 3.58 6.18 0.00 -1.22 -4.91 105.19 111.15 1pqk n GLY 30 Ca 0.22 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.13 3.09 0.08 1.61 5.04 0.21 -4.88 115.29 117.31 1pqk s HIS 31 Ca 0.34 0.53 -0.31 0.00 -1.54 0.00 0.00 55.06 54.08 1pqk s HIS 31 Cb -0.16 -3.47 -0.06 0.00 0.04 0.00 0.00 32.58 28.93 1pqk s HIS 31 CO 0.42 -0.78 1.22 -1.17 -2.34 0.00 0.00 174.74 172.09 1pqk s LEU 32 N 3.18 4.38 -0.23 8.88 2.96 -1.26 -0.37 118.68 136.21 1pqk s LEU 32 Ca 0.32 2.06 -0.03 0.00 -0.22 0.00 0.00 54.13 56.26 1pqk s LEU 32 Cb -0.13 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.85 1pqk s LEU 32 CO 0.18 -0.48 -0.23 0.18 -1.32 0.00 0.00 176.35 174.68 1pqk n LEU 33 N 3.80 2.54 -3.66 -0.68 4.77 0.65 -4.96 117.00 119.47 1pqk n LEU 33 Ca 0.09 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1pqk n LEU 33 Cb 0.46 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1pqk n LEU 33 CO 0.56 0.75 0.15 0.28 -1.33 0.00 0.00 177.39 177.80 1pqk s THR 34 N -2.44 0.06 -1.96 -5.08 -1.32 -1.19 -4.86 115.64 98.84 1pqk s THR 34 Ca -0.31 -0.47 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 1pqk s THR 34 Cb 0.09 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 70.31 1pqk s THR 34 CO 0.48 -0.26 1.41 0.29 -2.21 0.00 0.00 174.62 174.33 1pqk n LYS 35 N 0.45 1.09 -2.25 7.08 5.02 -1.26 -3.78 118.16 124.52 1pqk n LYS 35 Ca -0.18 -0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 55.01 1pqk n LYS 35 Cb 0.60 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1pqk n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pqk s SER 36 N -2.43 5.88 0.00 4.39 0.15 -1.26 -4.93 113.70 115.50 1pqk s SER 36 Ca 0.24 1.98 0.19 0.00 0.70 0.00 0.00 55.95 59.06 1pqk s SER 36 Cb 0.19 -2.56 1.15 0.00 -1.71 0.00 0.00 66.02 63.09 1pqk s SER 36 CO 0.51 -1.10 1.57 -0.81 1.20 0.00 0.00 173.24 174.62 1pqk n PRO 37 N -1.49 0.71 -2.91 5.44 -0.04 -1.26 -4.74 135.00 130.71 1pqk n PRO 37 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1pqk n PRO 37 Cb 0.52 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.89 6.62 0.33 3.54 0.15 -1.26 -4.93 113.70 116.26 1pqk s SER 38 Ca 0.29 0.51 0.11 0.00 0.70 0.00 0.00 55.95 57.56 1pqk s SER 38 Cb 0.13 -2.42 0.56 0.00 -1.71 0.00 0.00 66.02 62.58 1pqk s SER 38 CO 0.22 -0.74 1.74 0.25 1.20 0.00 0.00 173.24 175.91 1pqk h LEU 39 N 9.76 0.03 -0.72 3.45 5.85 -1.99 -2.21 115.31 129.49 1pqk h LEU 39 Ca -0.24 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1pqk h LEU 39 Cb 1.09 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1pqk h LEU 39 CO 0.93 0.49 0.19 0.78 -0.34 0.00 0.00 178.44 180.49 1pqk h ASN 40 N 0.03 1.08 -0.44 1.25 4.21 -1.97 0.15 115.58 119.88 1pqk h ASN 40 Ca -0.00 -0.23 -0.09 0.00 1.21 0.00 0.00 56.30 57.19 1pqk h ASN 40 Cb 0.83 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 1pqk h ASN 40 CO 0.06 1.02 -0.08 0.00 -1.29 0.00 0.00 177.43 177.15 1pqk h ALA 41 N 1.10 0.60 0.14 -0.83 0.00 -1.82 -0.38 119.26 118.06 1pqk h ALA 41 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pqk h ALA 41 Cb 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1pqk h ALA 41 CO -0.00 0.46 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 1pqk h ALA 42 N 0.87 -0.91 -0.99 0.00 0.00 -0.84 0.32 119.26 117.72 1pqk h ALA 42 Ca 0.11 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1pqk h ALA 42 Cb 0.60 0.74 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 1pqk h ALA 42 CO 0.04 -0.99 0.60 0.87 0.00 0.00 0.00 179.25 179.77 1pqk h LYS 43 N -0.57 0.74 -0.38 0.00 1.57 -0.66 0.16 116.57 117.43 1pqk h LYS 43 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1pqk h LYS 43 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1pqk h LYS 43 CO -0.17 0.49 0.11 0.66 -0.57 0.00 0.00 179.45 179.97 1pqk h SER 44 N 0.76 0.55 -0.99 0.86 4.64 -0.46 0.35 113.55 119.25 1pqk h SER 44 Ca 0.57 -0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.74 1pqk h SER 44 Cb 0.87 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 1pqk h SER 44 CO -0.38 0.62 0.64 -0.33 -0.87 0.00 0.00 176.83 176.51 1pqk h GLU 45 N 0.46 1.14 0.51 4.77 4.39 0.22 -1.94 114.58 124.13 1pqk h GLU 45 Ca 0.12 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1pqk h GLU 45 Cb 0.27 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1pqk h GLU 45 CO -0.00 0.75 -0.24 1.25 -1.16 0.00 0.00 179.01 179.61 1pqk h LEU 46 N 1.17 -0.58 -1.32 1.33 5.85 -0.29 -0.51 115.31 120.96 1pqk h LEU 46 Ca 0.43 -0.07 0.20 0.00 0.84 0.00 0.00 57.88 59.28 1pqk h LEU 46 Cb 0.15 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1pqk h LEU 46 CO -0.17 -0.21 0.61 0.44 -0.34 0.00 0.00 178.44 178.77 1pqk h ASP 47 N -1.00 0.56 0.69 1.25 3.32 -0.21 0.67 116.42 121.70 1pqk h ASP 47 Ca -0.07 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1pqk h ASP 47 Cb 0.61 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1pqk h ASP 47 CO 0.11 0.21 -0.34 0.50 -1.72 0.00 0.00 179.24 178.01 1pqk h LYS 48 N 0.55 -0.90 -0.73 3.56 3.64 -1.26 2.31 116.57 123.73 1pqk h LYS 48 Ca 0.51 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.98 1pqk h LYS 48 Cb 1.06 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1pqk h LYS 48 CO -0.25 -0.60 0.48 0.00 -2.27 0.00 0.00 179.45 176.81 1pqk h ALA 49 N -0.62 1.54 0.01 5.00 0.00 0.58 -2.83 119.26 122.92 1pqk h ALA 49 Ca -0.09 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1pqk h ALA 49 Cb 0.73 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1pqk h ALA 49 CO 0.15 0.40 -1.69 0.82 0.00 0.00 0.00 179.25 178.93 1pqk h ILE 50 N 0.93 0.87 -1.13 0.00 1.08 -0.85 -3.49 117.51 114.92 1pqk h ILE 50 Ca 0.28 -2.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 1pqk h ILE 50 Cb -0.01 2.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1pqk h ILE 50 CO -0.07 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 178.51 1pqk n GLY 51 N 1.56 0.86 3.69 5.37 0.00 0.77 -5.05 105.19 112.40 1pqk n GLY 51 Ca -0.17 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.50 0.55 -0.50 1.61 1.70 -0.72 -5.02 118.95 112.07 1pqk s ARG 52 Ca 0.00 -0.32 -0.23 0.00 -0.47 0.00 0.00 55.73 54.72 1pqk s ARG 52 Cb 0.00 0.18 0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1pqk s ARG 52 CO 0.00 -0.25 0.81 1.21 -1.08 0.00 0.00 175.30 175.99 1pqk s ASN 53 N -3.09 6.34 0.03 -2.89 3.04 -1.26 -4.33 114.94 112.78 1pqk s ASN 53 Ca 0.16 -0.37 0.22 0.00 0.04 0.00 0.00 52.86 52.92 1pqk s ASN 53 Cb 0.03 -2.39 -0.04 0.00 -1.54 0.00 0.00 41.25 37.32 1pqk s ASN 53 CO -0.02 -1.03 0.95 0.35 -3.04 0.00 0.00 177.10 174.30 1pqk n THR 54 N 6.05 0.11 -2.00 -5.21 -2.24 -1.26 -4.95 114.28 104.79 1pqk n THR 54 Ca 0.00 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1pqk n THR 54 Cb 0.47 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1pqk n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pqk n ASN 55 N -1.90 -2.97 0.00 3.42 5.15 -1.26 -0.00 115.26 117.70 1pqk n ASN 55 Ca 0.02 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1pqk n ASN 55 Cb 0.43 -2.68 0.00 0.00 -0.53 0.00 0.00 39.78 37.00 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 -0.52 0.75 3.14 8.20 0.00 -1.26 -5.02 105.19 110.48 1pqk n GLY 56 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.35 1.62 0.35 1.61 1.01 0.99 -2.44 120.40 121.19 1pqk s VAL 57 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1pqk s VAL 57 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1pqk s VAL 57 CO 0.00 0.46 0.09 0.27 0.00 0.00 0.00 175.10 175.92 1pqk s ILE 58 N 0.37 0.91 0.55 2.22 -4.36 -0.60 -4.61 121.20 115.67 1pqk s ILE 58 Ca -0.14 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.29 1pqk s ILE 58 Cb -0.16 -2.60 0.05 0.00 1.25 0.00 0.00 42.46 41.00 1pqk s ILE 58 CO 0.06 0.00 0.77 0.42 0.24 0.00 0.00 174.94 176.42 1pqk s THR 59 N -3.30 2.60 0.24 8.37 -4.23 -1.26 -4.77 115.64 113.29 1pqk s THR 59 Ca 0.31 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 1pqk s THR 59 Cb 0.06 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.29 1pqk s THR 59 CO 0.15 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.62 1pqk h LYS 60 N 0.11 1.27 -0.49 3.99 3.11 -1.98 0.13 116.57 122.70 1pqk h LYS 60 Ca -0.39 -0.11 -0.06 0.00 -2.81 0.00 0.00 60.65 57.27 1pqk h LYS 60 Cb 1.29 -0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 32.22 1pqk h LYS 60 CO 0.48 0.88 0.05 -0.44 -2.81 0.00 0.00 179.45 177.60 1pqk h ASP 61 N 1.29 0.75 -0.48 4.20 3.45 -1.99 0.52 116.42 124.17 1pqk h ASP 61 Ca 0.34 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.52 1pqk h ASP 61 Cb -0.07 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 1pqk h ASP 61 CO -0.07 0.79 -0.17 -0.33 -1.57 0.00 0.00 179.24 177.89 1pqk h GLU 62 N 0.75 0.96 -0.45 3.56 5.08 -1.68 -1.04 114.58 121.76 1pqk h GLU 62 Ca 0.15 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1pqk h GLU 62 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1pqk h GLU 62 CO 0.01 1.06 0.07 0.00 -1.00 0.00 0.00 179.01 179.15 1pqk h ALA 63 N 0.87 1.28 -0.08 3.43 0.00 -0.05 -2.06 119.26 122.65 1pqk h ALA 63 Ca 0.11 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1pqk h ALA 63 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1pqk h ALA 63 CO 0.06 0.50 -0.48 1.49 0.00 0.00 0.00 179.25 180.82 1pqk h GLU 64 N 0.67 0.21 0.55 0.00 4.81 -0.48 -0.43 114.58 119.91 1pqk h GLU 64 Ca 0.15 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1pqk h GLU 64 Cb 0.32 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1pqk h GLU 64 CO 0.00 0.65 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.35 1pqk h LYS 65 N 0.17 -0.84 -0.91 1.92 3.11 -0.52 0.97 116.57 120.47 1pqk h LYS 65 Ca 0.01 0.06 0.08 0.00 -2.81 0.00 0.00 60.65 57.98 1pqk h LYS 65 Cb 0.91 0.19 -0.07 0.00 -1.00 0.00 0.00 32.23 32.27 1pqk h LYS 65 CO 0.07 -0.56 0.56 -0.07 -2.81 0.00 0.00 179.45 176.64 1pqk h LEU 66 N -0.88 0.87 -0.42 5.20 3.38 -1.29 -1.78 115.31 120.39 1pqk h LEU 66 Ca -0.06 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pqk h LEU 66 Cb 0.72 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1pqk h LEU 66 CO 0.05 0.54 0.27 0.15 0.09 0.00 0.00 178.44 179.54 1pqk h PHE 67 N 1.00 0.52 -0.95 1.13 3.04 -0.75 -0.87 116.94 120.06 1pqk h PHE 67 Ca 0.41 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.39 1pqk h PHE 67 Cb 0.24 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 1pqk h PHE 67 CO -0.03 0.32 0.62 -0.91 -2.02 0.00 0.00 178.31 176.30 1pqk h ASN 68 N 0.56 1.06 -0.50 0.41 -0.26 0.06 0.12 115.58 117.02 1pqk h ASN 68 Ca 0.16 -0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1pqk h ASN 68 Cb -0.05 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1pqk h ASN 68 CO -0.04 0.74 0.07 1.56 -1.06 0.00 0.00 177.43 178.70 1pqk h GLN 69 N 1.24 0.84 -0.46 0.81 4.20 -1.15 -1.42 115.11 119.17 1pqk h GLN 69 Ca 0.36 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1pqk h GLN 69 Cb -0.07 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1pqk h GLN 69 CO -0.10 0.84 0.09 -0.44 -0.67 0.00 0.00 178.83 178.55 1pqk h ASP 70 N 0.72 0.65 -0.07 1.46 3.32 -0.63 0.38 116.42 122.24 1pqk h ASP 70 Ca 0.15 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1pqk h ASP 70 Cb 0.42 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1pqk h ASP 70 CO 0.01 0.67 0.01 0.58 -1.72 0.00 0.00 179.24 178.79 1pqk h VAL 71 N 0.68 1.21 -0.65 -1.35 2.07 -0.44 -1.10 116.25 116.67 1pqk h VAL 71 Ca 0.15 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1pqk h VAL 71 Cb 0.29 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1pqk h VAL 71 CO 0.00 0.18 0.40 0.44 0.02 0.00 0.00 177.57 178.62 1pqk h ASP 72 N -0.12 0.77 -0.55 0.57 3.45 -0.79 -1.44 116.42 118.32 1pqk h ASP 72 Ca 0.02 -0.05 0.04 0.00 0.43 0.00 0.00 57.03 57.47 1pqk h ASP 72 Cb 0.28 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 1pqk h ASP 72 CO 0.00 0.59 0.30 0.00 -1.57 0.00 0.00 179.24 178.57 1pqk h ALA 73 N 1.21 0.70 -0.28 3.45 0.00 -0.90 -0.53 119.26 122.92 1pqk h ALA 73 Ca 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pqk h ALA 73 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pqk h ALA 73 CO -0.05 -0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.36 1pqk h ALA 74 N 1.27 0.36 -0.65 0.00 0.00 -0.78 -1.40 119.26 118.05 1pqk h ALA 74 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1pqk h ALA 74 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1pqk h ALA 74 CO -0.13 -0.15 0.25 0.28 0.00 0.00 0.00 179.25 179.50 1pqk h VAL 75 N 0.36 1.24 -0.81 0.00 2.07 -0.97 -0.84 116.25 117.30 1pqk h VAL 75 Ca 0.10 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1pqk h VAL 75 Cb 0.00 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1pqk h VAL 75 CO -0.02 0.30 0.52 0.03 0.02 0.00 0.00 177.57 178.42 1pqk h ARG 76 N 0.92 1.00 -0.24 1.57 3.08 -0.92 0.22 114.38 120.01 1pqk h ARG 76 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1pqk h ARG 76 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1pqk h ARG 76 CO -0.02 0.66 0.15 0.00 -1.07 0.00 0.00 179.97 179.70 1pqk h ALA 77 N 1.33 0.31 -0.68 0.04 0.00 -0.83 -1.70 119.26 117.71 1pqk h ALA 77 Ca 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1pqk h ALA 77 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1pqk h ALA 77 CO -0.10 -0.20 0.45 0.28 0.00 0.00 0.00 179.25 179.68 1pqk h VAL 78 N 0.31 1.16 0.00 0.00 2.07 -0.62 -0.35 116.25 118.83 1pqk h VAL 78 Ca 0.09 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1pqk h VAL 78 Cb -0.00 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1pqk h VAL 78 CO -0.02 0.17 -0.01 -0.07 0.02 0.00 0.00 177.57 177.66 1pqk h LEU 79 N 0.91 0.00 0.00 2.57 3.38 -0.26 -0.03 115.31 121.88 1pqk h LEU 79 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1pqk h LEU 79 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1pqk h LEU 79 CO -0.06 0.01 -0.57 0.54 0.09 0.00 0.00 178.44 178.45 1pqk n ARG 80 N -3.11 0.01 -3.38 1.13 1.74 -0.49 -4.80 116.66 107.76 1pqk n ARG 80 Ca -0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1pqk n ARG 80 Cb 0.25 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1pqk n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pqk s ASN 81 N -3.05 6.47 0.34 0.55 3.84 -0.05 -4.97 114.94 118.07 1pqk s ASN 81 Ca 0.10 0.55 0.06 0.00 0.21 0.00 0.00 52.86 53.79 1pqk s ASN 81 Cb 0.17 -2.24 0.63 0.00 -0.55 0.00 0.00 41.25 39.27 1pqk s ASN 81 CO 0.72 -0.07 1.85 0.00 -2.79 0.00 0.00 177.10 176.82 1pqk h ALA 82 N 7.28 1.36 0.15 1.71 0.00 -1.88 0.19 119.26 128.07 1pqk h ALA 82 Ca -0.37 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.01 1pqk h ALA 82 Cb 1.16 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pqk h ALA 82 CO 0.72 0.43 -1.36 0.87 0.00 0.00 0.00 179.25 179.92 1pqk h LYS 83 N 0.36 0.32 0.01 0.00 6.56 -1.93 -3.39 116.57 118.49 1pqk h LYS 83 Ca 0.07 -0.54 -0.31 0.00 -1.06 0.00 0.00 60.65 58.81 1pqk h LYS 83 Cb 0.44 0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 32.25 1pqk h LYS 83 CO 0.02 1.24 -1.81 1.28 -2.06 0.00 0.00 179.45 178.13 1pqk n LEU 84 N -3.55 0.94 -0.11 2.94 4.77 -1.14 -4.21 117.00 116.64 1pqk n LEU 84 Ca -0.12 0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 56.15 1pqk n LEU 84 Cb 1.04 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.24 1pqk n LEU 84 CO 0.54 0.44 0.71 0.50 -1.33 0.00 0.00 177.39 178.25 1pqk h LYS 85 N 0.01 -0.15 -0.05 3.23 3.64 -0.34 0.99 116.57 123.90 1pqk h LYS 85 Ca -0.33 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1pqk h LYS 85 Cb 2.04 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1pqk h LYS 85 CO 0.07 -0.10 -0.00 -1.00 -2.27 0.00 0.00 179.45 176.16 1pqk h PRO 86 N -0.15 0.07 0.39 1.90 0.13 -1.78 0.25 132.00 132.81 1pqk h PRO 86 Ca 0.19 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1pqk h PRO 86 Cb 0.44 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1pqk h PRO 86 CO -0.47 0.09 -0.19 0.28 -0.23 0.00 0.00 178.00 177.48 1pqk h VAL 87 N 0.08 0.60 -0.47 1.56 2.07 -1.05 -1.17 116.25 117.87 1pqk h VAL 87 Ca 0.02 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1pqk h VAL 87 Cb 0.06 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1pqk h VAL 87 CO 0.00 0.08 0.04 0.22 0.02 0.00 0.00 177.57 177.93 1pqk h TYR 88 N -0.77 0.05 0.00 1.57 5.03 -0.86 0.11 116.97 122.10 1pqk h TYR 88 Ca -0.05 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1pqk h TYR 88 Cb 0.52 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.85 1pqk h TYR 88 CO 0.00 -0.06 -0.08 -0.44 -1.32 0.00 0.00 178.16 176.27 1pqk h ASP 89 N 0.16 0.00 0.55 -2.11 3.45 -0.42 -3.09 116.42 114.96 1pqk h ASP 89 Ca 0.23 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.41 1pqk h ASP 89 Cb 0.33 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.07 1pqk h ASP 89 CO -0.35 0.08 -1.53 0.77 -1.57 0.00 0.00 179.24 176.63 1pqk h SER 90 N 0.00 0.17 -4.20 6.45 4.64 0.46 -3.47 113.55 117.60 1pqk h SER 90 Ca -0.00 -0.27 -0.52 0.00 -0.47 0.00 0.00 61.79 60.53 1pqk h SER 90 Cb 0.14 -0.06 0.14 0.00 -0.31 0.00 0.00 62.40 62.31 1pqk h SER 90 CO 0.01 1.23 0.37 -0.76 -0.87 0.00 0.00 176.83 176.81 1pqk s LEU 91 N -6.60 3.31 0.76 5.97 1.43 -0.41 -5.04 118.68 118.09 1pqk s LEU 91 Ca -0.07 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1pqk s LEU 91 Cb 0.08 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.78 1pqk s LEU 91 CO 0.83 -2.06 1.13 1.51 0.23 0.00 0.00 176.35 177.99 1pqk s ASP 92 N -2.33 4.92 0.29 2.29 1.47 -1.26 -4.71 116.67 117.34 1pqk s ASP 92 Ca 0.70 0.89 0.00 0.00 1.18 0.00 0.00 52.55 55.33 1pqk s ASP 92 Cb -0.25 -1.53 0.51 0.00 -0.34 0.00 0.00 42.92 41.32 1pqk s ASP 92 CO 0.45 -1.64 1.89 0.00 0.68 0.00 0.00 175.17 176.55 1pqk h ALA 93 N -0.84 1.50 0.07 2.11 0.00 -1.97 0.49 119.26 120.62 1pqk h ALA 93 Ca -0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pqk h ALA 93 Cb 1.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pqk h ALA 93 CO 0.65 0.34 -0.03 0.28 0.00 0.00 0.00 179.25 180.49 1pqk h VAL 94 N 1.05 1.12 -0.56 0.00 2.07 -1.93 -2.71 116.25 115.29 1pqk h VAL 94 Ca 0.42 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1pqk h VAL 94 Cb 0.25 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1pqk h VAL 94 CO -0.17 0.17 0.08 0.03 0.02 0.00 0.00 177.57 177.69 1pqk h ARG 95 N -0.40 0.91 -0.96 1.57 3.08 -1.77 -2.03 114.38 114.77 1pqk h ARG 95 Ca -0.01 -0.22 0.13 0.00 0.07 0.00 0.00 59.98 59.95 1pqk h ARG 95 Cb 0.35 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 1pqk h ARG 95 CO 0.02 0.85 0.58 0.00 -1.07 0.00 0.00 179.97 180.35 1pqk h ARG 96 N 0.86 0.86 -0.76 0.04 3.08 0.05 -1.29 114.38 117.21 1pqk h ARG 96 Ca 0.17 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1pqk h ARG 96 Cb 0.40 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1pqk h ARG 96 CO 0.01 0.57 0.48 0.00 -1.07 0.00 0.00 179.97 179.96 1pqk h ALA 97 N 1.55 1.01 -0.81 0.04 0.00 -1.04 -0.55 119.26 119.46 1pqk h ALA 97 Ca 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1pqk h ALA 97 Cb 0.56 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1pqk h ALA 97 CO -0.30 0.28 0.43 0.00 0.00 0.00 0.00 179.25 179.66 1pqk h ALA 98 N 1.33 1.04 -0.09 0.00 0.00 -1.12 0.78 119.26 121.19 1pqk h ALA 98 Ca 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pqk h ALA 98 Cb 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1pqk h ALA 98 CO -0.12 0.57 0.05 1.25 0.00 0.00 0.00 179.25 181.00 1pqk h LEU 99 N 1.13 0.12 -1.00 0.00 5.85 -0.42 -1.63 115.31 119.36 1pqk h LEU 99 Ca 0.28 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1pqk h LEU 99 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1pqk h LEU 99 CO -0.04 0.18 0.23 0.40 -0.34 0.00 0.00 178.44 178.87 1pqk h ILE 100 N 0.04 1.23 -0.36 4.05 5.03 -0.79 0.17 117.51 126.88 1pqk h ILE 100 Ca 0.03 -0.76 0.05 0.00 -0.12 0.00 0.00 64.86 64.07 1pqk h ILE 100 Cb 0.09 0.50 -0.05 0.00 -3.03 0.00 0.00 36.82 34.33 1pqk h ILE 100 CO -0.00 0.30 0.07 -1.13 -0.68 0.00 0.00 178.15 176.71 1pqk h ASN 101 N 0.93 0.02 -0.63 1.72 -0.73 -0.72 0.25 115.58 116.42 1pqk h ASN 101 Ca 0.21 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.47 1pqk h ASN 101 Cb 0.22 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 38.85 1pqk h ASN 101 CO -0.01 0.05 0.39 0.24 -0.37 0.00 0.00 177.43 177.72 1pqk h MET 102 N 0.20 0.74 -0.56 6.67 2.86 -0.38 0.85 114.93 125.31 1pqk h MET 102 Ca 0.17 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1pqk h MET 102 Cb 0.19 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 1pqk h MET 102 CO -0.22 0.49 0.23 0.28 1.06 0.00 0.00 176.91 178.75 1pqk h VAL 103 N 0.76 0.84 -0.51 -2.22 2.07 0.62 0.15 116.25 117.97 1pqk h VAL 103 Ca 0.25 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1pqk h VAL 103 Cb 0.02 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1pqk h VAL 103 CO -0.10 0.08 0.33 -0.26 0.02 0.00 0.00 177.57 177.64 1pqk h PHE 104 N 0.43 0.63 -0.54 1.57 0.04 0.81 0.32 116.94 120.21 1pqk h PHE 104 Ca 0.27 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.00 1pqk h PHE 104 Cb 0.27 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1pqk h PHE 104 CO -0.14 0.40 0.12 0.37 -0.60 0.00 0.00 178.31 178.45 1pqk h GLN 105 N 0.68 0.87 0.00 1.51 4.15 0.47 -3.38 115.11 119.41 1pqk h GLN 105 Ca 0.19 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1pqk h GLN 105 Cb -0.07 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.51 1pqk h GLN 105 CO -0.04 0.83 0.00 0.00 -1.93 0.00 0.00 178.83 177.69 1pqk n MET 106 N -4.40 0.63 0.00 1.69 0.00 0.39 -5.10 117.12 110.33 1pqk n MET 106 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 57.70 57.02 1pqk n MET 106 Cb 0.24 -0.79 0.00 0.00 0.00 0.00 0.00 33.22 32.67 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 -0.15 0.45 0.35 3.17 0.00 0.11 -4.04 105.19 105.07 1pqk n GLY 107 Ca 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 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 1.20 -0.47 1.61 4.81 -1.93 -2.71 114.58 117.09 1pqk h GLU 108 Ca 0.00 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1pqk h GLU 108 Cb 0.00 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 1pqk h GLU 108 CO 0.00 0.84 0.25 1.15 -0.73 0.00 0.00 179.01 180.52 1pqk h THR 109 N 1.22 0.98 -0.84 0.32 2.02 -1.96 -1.36 112.91 113.28 1pqk h THR 109 Ca 0.32 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1pqk h THR 109 Cb -0.05 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1pqk h THR 109 CO -0.06 0.09 0.42 1.23 0.37 0.00 0.00 175.52 177.57 1pqk h GLY 110 N 0.49 1.29 1.11 2.16 0.00 -1.64 -2.36 103.07 104.11 1pqk h GLY 110 Ca 0.20 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1pqk h GLY 110 CO -0.13 0.59 -0.15 -2.08 0.00 0.00 0.00 176.54 174.77 1pqk h VAL 111 N 1.20 1.27 0.00 4.60 2.07 -1.16 -2.76 116.25 121.47 1pqk h VAL 111 Ca 0.29 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1pqk h VAL 111 Cb 0.09 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1pqk h VAL 111 CO -0.04 0.46 -0.14 0.00 0.02 0.00 0.00 177.57 177.87 1pqk h ALA 112 N 0.91 1.15 0.00 1.67 0.00 -1.02 -2.30 119.26 119.67 1pqk h ALA 112 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pqk h ALA 112 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1pqk h ALA 112 CO 0.06 0.17 0.00 0.78 0.00 0.00 0.00 179.25 180.26 1pqk h GLY 113 N 1.34 0.00 -5.04 0.00 0.00 -1.12 -3.31 103.07 94.94 1pqk h GLY 113 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1pqk h GLY 113 CO 0.02 0.00 3.80 0.69 0.00 0.00 0.00 176.54 181.05 1pqk n PHE 114 N -2.83 2.44 -0.16 5.60 3.72 -0.87 -4.75 117.46 120.62 1pqk n PHE 114 Ca -0.01 -3.09 -0.03 0.00 -0.05 0.00 0.00 57.45 54.27 1pqk n PHE 114 Cb 0.15 -2.47 0.03 0.00 -0.94 0.00 0.00 39.48 36.25 1pqk n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1pqk h THR 115 N 2.99 0.43 0.15 4.37 2.02 -1.84 -0.95 112.91 120.08 1pqk h THR 115 Ca 0.87 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.76 1pqk h THR 115 Cb 0.29 0.43 0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1pqk h THR 115 CO 1.78 0.00 -1.24 0.78 0.37 0.00 0.00 175.52 177.21 1pqk h ASN 116 N -0.04 0.83 -0.29 4.18 2.35 -1.94 -3.08 115.58 117.59 1pqk h ASN 116 Ca 0.24 -0.85 -0.01 0.00 -0.55 0.00 0.00 56.30 55.13 1pqk h ASN 116 Cb 0.41 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1pqk h ASN 116 CO -0.54 1.60 0.16 0.28 -1.65 0.00 0.00 177.43 177.28 1pqk h SER 117 N 0.17 0.37 -0.07 5.81 0.02 -1.89 -2.56 113.55 115.39 1pqk h SER 117 Ca -0.20 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1pqk h SER 117 Cb 1.93 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1pqk h SER 117 CO 0.24 0.35 -0.04 0.16 -1.14 0.00 0.00 176.83 176.40 1pqk h ILE 118 N 0.35 1.14 -0.30 3.27 3.07 -1.28 -2.01 117.51 121.75 1pqk h ILE 118 Ca 0.10 -0.58 -0.11 0.00 1.55 0.00 0.00 64.86 65.82 1pqk h ILE 118 Cb 0.07 1.04 -0.01 0.00 -0.27 0.00 0.00 36.82 37.65 1pqk h ILE 118 CO -0.02 0.19 -0.28 0.03 -1.05 0.00 0.00 178.15 177.02 1pqk h ARG 119 N 0.27 0.62 -0.61 0.16 3.08 -1.42 -0.37 114.38 116.12 1pqk h ARG 119 Ca 0.06 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 1pqk h ARG 119 Cb 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1pqk h ARG 119 CO 0.01 0.84 0.03 1.88 -1.07 0.00 0.00 179.97 181.65 1pqk h TYR 120 N 0.54 1.14 -0.55 3.04 0.05 -1.01 -0.70 116.97 119.47 1pqk h TYR 120 Ca 0.07 -0.19 0.06 0.00 0.05 0.00 0.00 58.73 58.72 1pqk h TYR 120 Cb 0.76 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 1pqk h TYR 120 CO 0.03 1.00 0.26 -0.07 -1.05 0.00 0.00 178.16 178.34 1pqk h LEU 121 N 0.95 0.36 -1.38 3.88 3.38 -0.78 0.45 115.31 122.18 1pqk h LEU 121 Ca 0.18 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1pqk h LEU 121 Cb 0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1pqk h LEU 121 CO 0.03 0.24 -0.03 0.06 0.09 0.00 0.00 178.44 178.82 1pqk h GLN 122 N 0.50 0.37 -0.01 1.13 -0.00 -0.65 0.23 115.11 116.69 1pqk h GLN 122 Ca 0.25 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1pqk h GLN 122 Cb 0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1pqk h GLN 122 CO -0.20 0.43 0.00 1.04 -0.00 0.00 0.00 178.83 180.10 1pqk n GLN 123 N -4.31 1.33 -2.97 0.06 6.02 -0.06 -4.85 117.38 112.60 1pqk n GLN 123 Ca 0.00 -0.49 -0.17 0.00 -0.01 0.00 0.00 57.00 56.34 1pqk n GLN 123 Cb 0.23 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.40 -4.38 -3.37 -1.09 5.02 0.07 -4.89 118.16 109.12 1pqk n LYS 124 Ca 0.21 0.67 -0.39 0.00 -2.02 0.00 0.00 58.31 56.79 1pqk n LYS 124 Cb 0.23 -5.09 -0.03 0.00 -0.02 0.00 0.00 35.03 30.12 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 -3.42 3.34 -0.05 1.97 1.74 0.14 -4.91 116.66 115.46 1pqk n ARG 125 Ca -0.06 -4.52 -0.07 0.00 -0.77 0.00 0.00 57.85 52.42 1pqk n ARG 125 Cb 0.58 -2.45 -0.01 0.00 -1.02 0.00 0.00 32.46 29.56 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 5.73 -0.26 -0.41 -1.55 -0.00 -1.87 -1.40 115.95 116.19 1pqk h TRP 126 Ca 0.18 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.07 1pqk h TRP 126 Cb 0.75 0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 30.04 1pqk h TRP 126 CO 0.81 -0.17 0.14 -0.44 -0.00 0.00 0.00 178.44 178.78 1pqk h ASP 127 N -0.07 0.59 -0.68 -3.49 5.19 -1.91 0.82 116.42 116.87 1pqk h ASP 127 Ca 0.13 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.29 1pqk h ASP 127 Cb 0.27 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 1pqk h ASP 127 CO -0.29 0.62 0.22 -0.33 -3.12 0.00 0.00 179.24 176.34 1pqk h GLU 128 N 0.52 1.05 -0.68 3.56 5.08 -1.96 0.79 114.58 122.94 1pqk h GLU 128 Ca 0.13 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1pqk h GLU 128 Cb 0.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1pqk h GLU 128 CO -0.01 0.91 0.18 0.00 -1.00 0.00 0.00 179.01 179.09 1pqk h ALA 129 N 1.09 0.90 -0.60 3.43 0.00 -1.05 0.22 119.26 123.25 1pqk h ALA 129 Ca 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1pqk h ALA 129 Cb 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1pqk h ALA 129 CO -0.01 0.61 0.22 0.00 0.00 0.00 0.00 179.25 180.07 1pqk h ALA 130 N 1.08 0.78 -0.51 0.00 0.00 0.14 0.79 119.26 121.53 1pqk h ALA 130 Ca 0.22 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1pqk h ALA 130 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pqk h ALA 130 CO 0.00 0.41 -0.03 -0.24 0.00 0.00 0.00 179.25 179.39 1pqk h VAL 131 N 0.83 1.27 -0.09 0.00 3.04 0.10 -2.15 116.25 119.25 1pqk h VAL 131 Ca 0.20 -1.14 -0.01 0.00 -1.01 0.00 0.00 66.70 64.74 1pqk h VAL 131 Cb 0.24 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1pqk h VAL 131 CO -0.01 0.40 0.03 -1.13 -1.01 0.00 0.00 177.57 175.85 1pqk h ASN 132 N 0.79 0.12 -0.84 3.17 -0.73 -0.32 -3.02 115.58 114.75 1pqk h ASN 132 Ca 0.14 -0.17 0.08 0.00 1.87 0.00 0.00 56.30 58.22 1pqk h ASN 132 Cb 0.56 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 39.07 1pqk h ASN 132 CO 0.03 0.26 0.55 -0.26 -0.37 0.00 0.00 177.43 177.64 1pqk h PHE 133 N -0.02 0.92 0.00 0.67 0.04 -0.79 -0.41 116.94 117.35 1pqk h PHE 133 Ca 0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1pqk h PHE 133 Cb 0.17 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1pqk h PHE 133 CO -0.02 0.46 0.00 0.00 -0.60 0.00 0.00 178.31 178.16 1pqk h ALA 134 N 1.56 1.00 0.00 2.45 0.00 -1.25 -2.27 119.26 120.75 1pqk h ALA 134 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pqk h ALA 134 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pqk h ALA 134 CO -0.14 0.00 -0.35 1.63 0.00 0.00 0.00 179.25 180.39 1pqk n LYS 135 N -2.77 0.01 -1.20 0.00 5.02 -0.16 -4.82 118.16 114.23 1pqk n LYS 135 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1pqk n LYS 135 Cb 0.12 -1.51 0.16 0.00 -0.02 0.00 0.00 35.03 33.78 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 -3.05 3.02 0.13 4.39 1.04 -0.85 -4.98 113.70 113.40 1pqk s SER 136 Ca 0.12 1.30 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 1pqk s SER 136 Cb 0.18 -1.97 -0.08 0.00 0.10 0.00 0.00 66.02 64.24 1pqk s SER 136 CO 0.65 -2.90 1.31 -0.09 0.98 0.00 0.00 173.24 173.20 1pqk h ARG 137 N -1.73 0.35 -0.73 4.02 2.43 -1.93 -3.06 114.38 113.73 1pqk h ARG 137 Ca -0.52 -0.39 0.16 0.00 -0.81 0.00 0.00 59.98 58.42 1pqk h ARG 137 Cb 1.31 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.84 1pqk h ARG 137 CO 0.57 1.07 -0.02 2.35 -1.51 0.00 0.00 179.97 182.43 1pqk h TRP 138 N 0.19 -0.09 -0.72 2.20 7.01 -1.93 0.65 115.95 123.27 1pqk h TRP 138 Ca -0.07 0.06 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 1pqk h TRP 138 Cb 1.58 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.76 1pqk h TRP 138 CO 0.05 -0.24 0.23 -0.92 -2.79 0.00 0.00 178.44 174.77 1pqk h TYR 139 N 0.09 1.13 -0.06 2.65 3.20 -1.80 0.15 116.97 122.34 1pqk h TYR 139 Ca 0.39 -0.11 -0.17 0.00 3.14 0.00 0.00 58.73 61.99 1pqk h TYR 139 Cb 0.67 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1pqk h TYR 139 CO -0.43 0.89 -0.70 -0.97 -1.64 0.00 0.00 178.16 175.31 1pqk h ASN 140 N 1.06 0.32 -0.08 -2.11 -0.73 -0.72 -1.77 115.58 111.55 1pqk h ASN 140 Ca 0.23 -0.21 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 1pqk h ASN 140 Cb 0.29 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.78 1pqk h ASN 140 CO -0.01 0.92 -0.16 0.06 -0.37 0.00 0.00 177.43 177.87 1pqk h GLN 141 N 0.19 0.24 -2.08 6.67 3.07 0.82 -3.38 115.11 120.64 1pqk h GLN 141 Ca -0.02 -0.16 -0.57 0.00 0.09 0.00 0.00 58.65 57.99 1pqk h GLN 141 Cb 1.25 0.02 -0.40 0.00 0.08 0.00 0.00 27.48 28.43 1pqk h GLN 141 CO 0.11 0.75 -0.90 0.25 0.09 0.00 0.00 178.83 179.13 1pqk n THR 142 N -4.59 0.60 -0.26 1.86 -2.24 0.46 -4.97 114.28 105.15 1pqk n THR 142 Ca -0.08 -4.55 0.08 0.00 -2.27 0.00 0.00 64.05 57.23 1pqk n THR 142 Cb 0.39 -1.91 0.32 0.00 -2.10 0.00 0.00 70.33 67.02 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 3.98 0.81 -0.13 -0.78 0.13 -1.51 -0.52 132.00 133.98 1pqk h PRO 143 Ca 0.12 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 1pqk h PRO 143 Cb 0.79 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1pqk h PRO 143 CO 0.62 0.53 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.86 1pqk h ASN 144 N 0.83 0.35 -0.08 1.44 2.35 -1.93 -1.53 115.58 117.01 1pqk h ASN 144 Ca 0.39 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1pqk h ASN 144 Cb 0.41 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1pqk h ASN 144 CO -0.16 0.78 0.04 -0.09 -1.65 0.00 0.00 177.43 176.34 1pqk h ARG 145 N -0.06 0.12 -0.67 0.81 2.43 -1.93 -1.97 114.38 113.11 1pqk h ARG 145 Ca 0.02 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1pqk h ARG 145 Cb 0.68 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 1pqk h ARG 145 CO 0.04 0.22 0.27 0.00 -1.51 0.00 0.00 179.97 178.99 1pqk h ALA 146 N 0.90 0.90 -0.26 2.80 0.00 -1.11 -1.49 119.26 120.99 1pqk h ALA 146 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pqk h ALA 146 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pqk h ALA 146 CO -0.00 -0.17 0.17 0.87 0.00 0.00 0.00 179.25 180.12 1pqk h LYS 147 N 0.46 0.33 -0.16 0.00 1.57 -1.09 0.36 116.57 118.04 1pqk h LYS 147 Ca 0.35 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 1pqk h LYS 147 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1pqk h LYS 147 CO -0.33 0.22 -0.04 0.00 -0.57 0.00 0.00 179.45 178.73 1pqk h ARG 148 N 0.34 -0.01 -0.45 3.15 3.08 -0.82 0.25 114.38 119.93 1pqk h ARG 148 Ca 0.10 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1pqk h ARG 148 Cb -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1pqk h ARG 148 CO -0.03 -0.00 0.12 0.82 -1.07 0.00 0.00 179.97 179.81 1pqk h ILE 149 N -0.01 0.80 -0.48 2.04 1.08 -0.91 -0.99 117.51 119.05 1pqk h ILE 149 Ca 0.08 -0.09 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1pqk h ILE 149 Cb 0.12 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 1pqk h ILE 149 CO -0.16 0.05 0.09 0.40 -0.69 0.00 0.00 178.15 177.84 1pqk h ILE 150 N 0.26 1.21 -0.29 -0.67 2.04 0.16 -0.85 117.51 119.39 1pqk h ILE 150 Ca 0.22 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1pqk h ILE 150 Cb 0.25 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1pqk h ILE 150 CO -0.26 0.29 -0.09 0.71 0.00 0.00 0.00 178.15 178.80 1pqk h THR 151 N 0.70 1.22 -0.24 -0.27 1.35 0.78 -0.25 112.91 116.21 1pqk h THR 151 Ca 0.16 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 1pqk h THR 151 Cb 0.30 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1pqk h THR 151 CO 0.00 0.31 0.02 0.58 -0.25 0.00 0.00 175.52 176.17 1pqk h VAL 152 N 0.44 1.24 -0.49 6.82 2.07 -0.52 0.11 116.25 125.93 1pqk h VAL 152 Ca 0.09 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1pqk h VAL 152 Cb 0.44 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1pqk h VAL 152 CO 0.02 0.26 0.27 -0.26 0.02 0.00 0.00 177.57 177.89 1pqk h PHE 153 N 0.19 0.68 -0.27 1.57 0.05 -0.88 0.82 116.94 119.10 1pqk h PHE 153 Ca 0.07 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.83 1pqk h PHE 153 Cb 0.37 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 1pqk h PHE 153 CO 0.03 0.50 0.10 -0.09 -0.18 0.00 0.00 178.31 178.67 1pqk h ARG 154 N 0.66 0.40 0.00 1.51 9.65 -0.95 -3.36 114.38 122.29 1pqk h ARG 154 Ca 0.17 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1pqk h ARG 154 Cb 0.05 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1pqk h ARG 154 CO -0.03 0.44 -1.96 0.25 2.80 0.00 0.00 179.97 181.48 1pqk n THR 155 N -4.76 0.08 -1.27 0.20 -2.24 0.38 -4.78 114.28 101.90 1pqk n THR 155 Ca -0.03 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 1pqk n THR 155 Cb 0.14 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.38 1.09 3.42 3.38 0.00 0.28 -5.01 105.19 109.73 1pqk n GLY 156 Ca -0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.33 1.73 -2.16 2.61 -4.23 -1.26 -4.83 115.64 105.17 1pqk s THR 157 Ca 0.00 -2.16 0.17 0.00 -1.18 0.00 0.00 61.69 58.52 1pqk s THR 157 Cb 0.00 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 71.88 1pqk s THR 157 CO 0.00 -0.36 1.48 0.79 -0.54 0.00 0.00 174.62 176.00 1pqk n TRP 158 N -0.55 0.21 -0.30 3.99 7.02 -1.26 -4.40 117.44 122.15 1pqk n TRP 158 Ca -0.06 -0.11 0.08 0.00 -1.02 0.00 0.00 57.50 56.39 1pqk n TRP 158 Cb 0.63 0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.70 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 1.68 -0.51 -0.08 -0.99 3.45 -1.96 0.33 116.42 118.35 1pqk h ASP 159 Ca 0.00 0.24 0.02 0.00 0.43 0.00 0.00 57.03 57.72 1pqk h ASP 159 Cb 0.37 0.44 -0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1pqk h ASP 159 CO 0.00 -0.26 0.09 0.00 -1.57 0.00 0.00 179.24 177.50 1pqk h ALA 160 N 1.84 1.62 0.00 3.45 0.00 -1.90 -2.28 119.26 121.99 1pqk h ALA 160 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1pqk h ALA 160 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pqk h ALA 160 CO -0.81 -0.13 -1.66 0.66 0.00 0.00 0.00 179.25 177.30 1pqk n TYR 161 N -3.78 0.09 -1.52 0.00 4.01 0.11 -4.92 117.16 111.14 1pqk n TYR 161 Ca -0.01 0.03 -0.50 0.00 -0.16 0.00 0.00 57.90 57.25 1pqk n TYR 161 Cb 0.19 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.12 0.69 -4.36 -0.72 5.02 -0.64 -1.75 118.16 114.27 1pqk n LYS 162 Ca -0.02 0.25 -0.39 0.00 -2.02 0.00 0.00 58.31 56.13 1pqk n LYS 162 Cb 0.51 -1.63 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.86 -1.94 -0.80 4.39 3.02 -1.26 -5.08 115.26 115.46 1pqk n ASN 163 Ca 0.16 -1.10 0.10 0.00 -0.03 0.00 0.00 54.58 53.72 1pqk n ASN 163 Cb 0.22 -1.68 0.08 0.00 -0.61 0.00 0.00 39.78 37.79 1pqk n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82