#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb s ARG 2 N 0.00 2.79 0.38 1.61 6.06 -1.26 -5.14 118.95 123.39 1sqb s ARG 2 Ca 0.00 -0.81 0.08 0.00 -2.50 0.00 0.00 55.73 52.50 1sqb s ARG 2 Cb 0.00 -2.64 -0.07 0.00 0.06 0.00 0.00 34.95 32.30 1sqb s ARG 2 CO 0.00 0.52 -0.02 -0.65 -2.50 0.00 0.00 175.30 172.66 1sqb s GLN 3 N -2.66 1.93 0.42 5.12 1.11 -1.26 -5.06 119.66 119.26 1sqb s GLN 3 Ca 0.29 -2.02 -0.26 0.00 0.01 0.00 0.00 55.36 53.38 1sqb s GLN 3 Cb -0.11 -1.70 -0.09 0.00 -1.01 0.00 0.00 33.01 30.10 1sqb s GLN 3 CO 0.22 0.02 1.42 -0.06 0.01 0.00 0.00 175.29 176.89 1sqb s PHE 4 N -2.66 2.58 0.00 0.91 0.08 -1.26 -2.58 117.98 115.06 1sqb s PHE 4 Ca 0.34 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1sqb s PHE 4 Cb 0.07 -3.90 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1sqb s PHE 4 CO 0.18 -2.76 0.00 0.41 -0.10 0.00 0.00 175.22 172.95 1sqb n GLY 5 N 0.57 1.83 0.00 4.36 0.00 -1.26 -4.85 105.19 105.84 1sqb n GLY 5 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1sqb n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sqb n HIS 6 N -2.00 0.00 0.06 1.61 8.25 -1.06 -4.91 115.22 117.17 1sqb n HIS 6 Ca 0.00 -0.28 -0.03 0.00 -0.26 0.00 0.00 57.72 57.15 1sqb n HIS 6 Cb 0.00 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1sqb n HIS 6 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sqb h LEU 7 N 0.00 -0.18 -7.74 2.41 3.38 -1.89 -3.47 115.31 107.83 1sqb h LEU 7 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1sqb h LEU 7 Cb 0.46 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1sqb h LEU 7 CO 0.00 0.05 0.20 0.28 0.09 0.00 0.00 178.44 179.06 1sqb s THR 8 N -2.24 0.00 -0.25 0.22 -1.32 -1.26 -5.14 115.64 105.65 1sqb s THR 8 Ca -0.03 -0.75 -0.21 0.00 -1.21 0.00 0.00 61.69 59.49 1sqb s THR 8 Cb 0.00 -1.73 -0.02 0.00 -1.51 0.00 0.00 72.50 69.24 1sqb s THR 8 CO 0.09 -0.01 0.66 -0.60 -2.21 0.00 0.00 174.62 172.55 1sqb s ARG 9 N -3.88 4.12 -0.04 7.08 3.52 -1.26 -5.04 118.95 123.45 1sqb s ARG 9 Ca 0.09 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 1sqb s ARG 9 Cb -0.04 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.71 1sqb s ARG 9 CO 0.01 -0.43 -0.09 0.08 -0.81 0.00 0.00 175.30 174.07 1sqb s VAL 10 N 2.55 0.84 -0.02 7.11 1.01 -1.26 -5.15 120.40 125.48 1sqb s VAL 10 Ca 0.27 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1sqb s VAL 10 Cb -0.15 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1sqb s VAL 10 CO 0.08 0.27 -0.11 -0.13 0.00 0.00 0.00 175.10 175.22 1sqb s ARG 11 N 0.43 0.98 -1.00 2.72 0.52 -1.26 -4.91 118.95 116.44 1sqb s ARG 11 Ca -0.07 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 54.73 1sqb s ARG 11 Cb -0.11 -0.93 0.00 0.00 0.52 0.00 0.00 34.95 34.43 1sqb s ARG 11 CO 0.01 0.18 0.49 0.72 0.02 0.00 0.00 175.30 176.72 1sqb n HIS 12 N 3.05 -1.43 -4.07 -0.53 8.25 -1.26 -5.03 115.22 114.20 1sqb n HIS 12 Ca -0.16 0.42 -0.33 0.00 -0.26 0.00 0.00 57.72 57.39 1sqb n HIS 12 Cb 0.55 -3.39 -0.15 0.00 1.12 0.00 0.00 29.99 28.11 1sqb n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sqb s VAL 13 N -3.01 2.26 -0.18 1.59 1.01 -1.26 -5.10 120.40 115.70 1sqb s VAL 13 Ca 0.24 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 1sqb s VAL 13 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1sqb s VAL 13 CO 0.30 0.22 0.35 -0.63 0.00 0.00 0.00 175.10 175.34 1sqb s ILE 14 N 1.21 5.25 -0.25 2.22 1.01 -1.26 -5.08 121.20 124.30 1sqb s ILE 14 Ca -0.02 0.63 -0.04 0.00 0.00 0.00 0.00 60.65 61.22 1sqb s ILE 14 Cb -0.17 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1sqb s ILE 14 CO -0.08 0.31 -0.01 -0.89 0.00 0.00 0.00 174.94 174.27 1sqb s THR 15 N 0.96 3.35 -0.22 2.92 2.01 -1.26 -5.10 115.64 118.30 1sqb s THR 15 Ca 0.18 -0.77 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 1sqb s THR 15 Cb -0.14 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1sqb s THR 15 CO 0.06 0.23 0.28 -0.31 -0.69 0.00 0.00 174.62 174.19 1sqb s TYR 16 N 1.42 3.34 0.12 4.92 1.51 -1.26 -5.09 117.35 122.32 1sqb s TYR 16 Ca 0.02 0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.55 1sqb s TYR 16 Cb -0.16 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1sqb s TYR 16 CO -0.02 0.02 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.18 1sqb s SER 17 N 1.08 1.97 0.06 2.29 0.01 -1.26 -5.16 113.70 112.69 1sqb s SER 17 Ca 0.13 -0.83 0.07 0.00 1.31 0.00 0.00 55.95 56.64 1sqb s SER 17 Cb -0.14 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1sqb s SER 17 CO 0.06 -0.16 -0.16 -0.76 0.41 0.00 0.00 173.24 172.63 1sqb s LEU 18 N -2.52 2.72 0.37 2.44 2.01 -1.26 -5.12 118.68 117.33 1sqb s LEU 18 Ca 0.09 -0.43 -0.28 0.00 0.01 0.00 0.00 54.13 53.52 1sqb s LEU 18 Cb -0.04 -1.58 -0.10 0.00 0.01 0.00 0.00 46.19 44.47 1sqb s LEU 18 CO 0.03 0.23 1.41 -0.55 1.01 0.00 0.00 176.35 178.47 1sqb s SER 19 N -1.69 6.43 0.60 2.29 0.15 -1.26 -4.91 113.70 115.30 1sqb s SER 19 Ca 0.16 2.89 0.37 0.00 0.70 0.00 0.00 55.95 60.07 1sqb s SER 19 Cb -0.11 -2.66 1.90 0.00 -1.71 0.00 0.00 66.02 63.45 1sqb s SER 19 CO 0.08 -0.79 2.21 1.55 1.20 0.00 0.00 173.24 177.48 1sqb h PRO 20 N 3.03 0.00 0.00 5.44 0.13 -2.00 -1.59 132.00 137.01 1sqb h PRO 20 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1sqb h PRO 20 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sqb h PRO 20 CO 0.64 0.03 -0.11 1.19 -0.23 0.00 0.00 178.00 179.52 1sqb n PHE 21 N -3.30 0.51 0.07 1.56 3.72 -1.26 -3.57 117.46 115.20 1sqb n PHE 21 Ca -0.02 0.15 0.11 0.00 -0.05 0.00 0.00 57.45 57.64 1sqb n PHE 21 Cb 0.16 -0.71 -0.08 0.00 -0.94 0.00 0.00 39.48 37.91 1sqb n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sqb n GLU 22 N -1.94 0.62 -4.40 -1.08 -0.58 -0.61 -4.99 120.64 107.66 1sqb n GLU 22 Ca 0.06 -0.03 -0.27 0.00 -0.42 0.00 0.00 57.16 56.49 1sqb n GLU 22 Cb 0.39 -1.68 -0.12 0.00 -0.57 0.00 0.00 31.44 29.47 1sqb n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1sqb s GLN 23 N -3.43 1.54 0.31 3.49 -2.07 -1.16 -5.04 119.66 113.30 1sqb s GLN 23 Ca -0.04 -1.45 -0.26 0.00 -1.82 0.00 0.00 55.36 51.79 1sqb s GLN 23 Cb 0.12 -1.89 -0.10 0.00 -1.09 0.00 0.00 33.01 30.05 1sqb s GLN 23 CO 0.85 0.42 0.93 -0.98 -1.32 0.00 0.00 175.29 175.18 1sqb s ARG 24 N -2.52 4.58 0.10 9.60 1.70 -1.26 -4.87 118.95 126.28 1sqb s ARG 24 Ca 0.19 1.31 -0.16 0.00 -0.47 0.00 0.00 55.73 56.60 1sqb s ARG 24 Cb -0.09 -2.85 -0.07 0.00 -0.57 0.00 0.00 34.95 31.37 1sqb s ARG 24 CO 0.09 0.31 1.46 0.00 -1.08 0.00 0.00 175.30 176.09 1sqb h ALA 25 N 3.28 0.42 -3.12 7.88 0.00 -2.01 -3.37 119.26 122.34 1sqb h ALA 25 Ca -0.47 -0.33 -0.69 0.00 0.00 0.00 0.00 54.91 53.42 1sqb h ALA 25 Cb 1.19 -0.10 -0.36 0.00 0.00 0.00 0.00 17.79 18.52 1sqb h ALA 25 CO 0.65 0.32 -0.33 -0.06 0.00 0.00 0.00 179.25 179.83 1sqb s PHE 26 N -4.60 3.48 0.03 0.00 0.08 -1.26 -4.99 117.98 110.71 1sqb s PHE 26 Ca -0.13 -2.82 -0.18 0.00 0.12 0.00 0.00 56.93 53.92 1sqb s PHE 26 Cb 0.08 -3.17 -0.10 0.00 -0.57 0.00 0.00 43.02 39.26 1sqb s PHE 26 CO 0.80 -0.80 1.21 -1.35 -0.10 0.00 0.00 175.22 174.98 1sqb h PRO 27 N 6.73 -0.62 -2.07 0.24 0.11 -2.01 -3.38 132.00 131.00 1sqb h PRO 27 Ca 0.02 0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.61 1sqb h PRO 27 Cb 0.91 0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.77 1sqb h PRO 27 CO 0.74 -0.42 -0.94 0.72 -0.21 0.00 0.00 178.00 177.89 1sqb n HIS 28 N -3.83 1.04 -0.24 0.65 8.25 -1.26 -5.01 115.22 114.83 1sqb n HIS 28 Ca -0.08 -3.77 -0.02 0.00 -0.26 0.00 0.00 57.72 53.59 1sqb n HIS 28 Cb 0.26 -0.42 0.09 0.00 1.12 0.00 0.00 29.99 31.04 1sqb n HIS 28 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1sqb h TYR 29 N 3.99 0.71 0.00 4.41 3.20 -1.98 -1.16 116.97 126.14 1sqb h TYR 29 Ca 0.11 0.02 -0.36 0.00 3.14 0.00 0.00 58.73 61.65 1sqb h TYR 29 Cb 0.81 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.79 1sqb h TYR 29 CO 0.50 0.36 -2.37 1.19 -1.64 0.00 0.00 178.16 176.19 1sqb n PHE 30 N -4.76 0.00 -0.23 -3.82 3.72 -1.26 -3.00 117.46 108.11 1sqb n PHE 30 Ca 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.42 1sqb n PHE 30 Cb 0.16 -0.93 0.05 0.00 -0.94 0.00 0.00 39.48 37.81 1sqb n PHE 30 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sqb h SER 31 N 0.00 0.78 0.23 4.37 4.64 -1.98 -2.00 113.55 119.60 1sqb h SER 31 Ca -0.54 -0.05 -0.34 0.00 -0.47 0.00 0.00 61.79 60.39 1sqb h SER 31 Cb 1.89 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.73 1sqb h SER 31 CO -0.07 0.60 -2.05 1.17 -0.87 0.00 0.00 176.83 175.62 1sqb n LYS 32 N -4.59 0.67 0.31 4.77 4.81 -0.45 -4.57 118.16 119.12 1sqb n LYS 32 Ca 0.05 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 1sqb n LYS 32 Cb 0.05 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 1sqb n LYS 32 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1sqb h GLY 33 N 3.30 -0.86 -0.23 3.14 0.00 -1.46 -3.13 103.07 103.83 1sqb h GLY 33 Ca -0.42 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.34 1sqb h GLY 33 CO 0.05 -0.31 -0.22 -2.22 0.00 0.00 0.00 176.54 173.84 1sqb h ILE 34 N -1.08 0.32 -0.93 2.60 2.04 -1.53 -1.18 117.51 117.75 1sqb h ILE 34 Ca -0.08 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.93 1sqb h ILE 34 Cb 0.63 0.32 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1sqb h ILE 34 CO 0.14 0.00 0.59 -0.65 0.00 0.00 0.00 178.15 178.23 1sqb h PRO 35 N -0.09 0.70 -0.11 2.37 0.11 -1.78 -2.68 132.00 130.53 1sqb h PRO 35 Ca 0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 1sqb h PRO 35 Cb 0.48 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1sqb h PRO 35 CO -0.61 0.47 -0.05 -0.91 -0.21 0.00 0.00 178.00 176.69 1sqb h ASN 36 N 0.72 0.23 -0.59 -2.05 2.35 -1.17 -1.50 115.58 113.57 1sqb h ASN 36 Ca 0.48 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1sqb h ASN 36 Cb 0.77 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 1sqb h ASN 36 CO -0.24 0.59 0.34 1.62 -1.65 0.00 0.00 177.43 178.08 1sqb h VAL 37 N -0.12 1.19 -0.91 2.81 3.04 -1.28 -2.10 116.25 118.88 1sqb h VAL 37 Ca 0.03 -0.46 0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1sqb h VAL 37 Cb 0.50 0.41 -0.05 0.00 -2.01 0.00 0.00 31.29 30.14 1sqb h VAL 37 CO 0.02 0.20 0.60 -0.07 -1.01 0.00 0.00 177.57 177.30 1sqb h LEU 38 N 0.80 1.00 -0.61 3.16 3.38 -1.45 -0.48 115.31 121.12 1sqb h LEU 38 Ca 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1sqb h LEU 38 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1sqb h LEU 38 CO -0.04 0.70 0.35 -0.09 0.09 0.00 0.00 178.44 179.45 1sqb h ARG 39 N 1.18 0.85 0.00 1.13 1.12 -0.93 -1.26 114.38 116.46 1sqb h ARG 39 Ca 0.36 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1sqb h ARG 39 Cb -0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 1sqb h ARG 39 CO -0.11 0.63 -0.40 2.89 -3.11 0.00 0.00 179.97 179.87 1sqb n ARG 40 N -4.58 0.04 -0.01 0.20 1.85 -0.82 -1.78 116.66 111.57 1sqb n ARG 40 Ca 0.04 0.02 -0.12 0.00 -1.00 0.00 0.00 57.85 56.78 1sqb n ARG 40 Cb 0.08 -1.53 -0.10 0.00 -1.05 0.00 0.00 32.46 29.86 1sqb n ARG 40 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1sqb h THR 41 N 0.00 1.29 -0.91 8.89 2.02 -0.89 -3.26 112.91 120.04 1sqb h THR 41 Ca 0.00 -1.46 0.10 0.00 0.77 0.00 0.00 66.41 65.82 1sqb h THR 41 Cb 0.54 2.21 -0.07 0.00 -1.74 0.00 0.00 68.15 69.09 1sqb h THR 41 CO 0.00 0.35 0.59 -0.09 0.37 0.00 0.00 175.52 176.74 1sqb h ARG 42 N -0.76 0.89 0.00 6.66 2.43 -1.25 0.23 114.38 122.58 1sqb h ARG 42 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1sqb h ARG 42 Cb 0.63 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1sqb h ARG 42 CO 0.01 0.59 0.00 0.00 -1.51 0.00 0.00 179.97 179.06 1sqb h ALA 43 N 1.55 1.00 0.00 2.80 0.00 -1.46 -3.35 119.26 119.80 1sqb h ALA 43 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1sqb h ALA 43 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sqb h ALA 43 CO -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 178.90 1sqb h ILE 45 N 0.00 0.64 0.00 0.00 3.07 -0.79 0.02 117.51 120.45 1sqb h ILE 45 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1sqb h ILE 45 Cb 0.00 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 37.34 1sqb h ILE 45 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 1sqb n LEU 46 N -4.14 0.15 -0.05 0.16 7.99 -1.26 -2.39 117.00 117.45 1sqb n LEU 46 Ca 0.05 0.52 -0.06 0.00 -0.01 0.00 0.00 56.01 56.51 1sqb n LEU 46 Cb 0.46 -0.48 -0.07 0.00 -0.11 0.00 0.00 43.42 43.22 1sqb n LEU 46 CO 0.32 -0.11 -0.86 0.54 -1.51 0.00 0.00 177.39 175.78 1sqb n ARG 47 N -1.64 1.77 -0.09 3.23 5.12 -0.10 -4.67 116.66 120.28 1sqb n ARG 47 Ca 0.06 0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 1sqb n ARG 47 Cb 0.31 -1.26 -0.11 0.00 -1.16 0.00 0.00 32.46 30.24 1sqb n ARG 47 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sqb h VAL 48 N 0.00 1.05 -0.09 1.55 2.07 -1.40 -3.44 116.25 115.99 1sqb h VAL 48 Ca -0.28 -2.09 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 1sqb h VAL 48 Cb 1.57 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1sqb h VAL 48 CO -0.00 0.36 -0.07 0.00 0.02 0.00 0.00 177.57 177.88 1sqb h ALA 49 N -0.41 0.13 -0.31 1.67 0.00 -1.70 -3.36 119.26 115.28 1sqb h ALA 49 Ca -0.21 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.51 1sqb h ALA 49 Cb 1.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1sqb h ALA 49 CO -0.13 -0.06 0.36 -1.35 0.00 0.00 0.00 179.25 178.06 1sqb h PRO 50 N -0.18 0.00 -0.04 0.00 0.11 -1.83 0.41 132.00 130.46 1sqb h PRO 50 Ca 0.02 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 1sqb h PRO 50 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1sqb h PRO 50 CO 0.02 0.00 -0.84 -1.35 -0.21 0.00 0.00 178.00 175.62 1sqb h PRO 51 N 0.00 0.43 -0.17 1.05 0.11 -1.86 -3.11 132.00 128.45 1sqb h PRO 51 Ca 0.15 -0.41 -0.17 0.00 0.11 0.00 0.00 66.00 65.68 1sqb h PRO 51 Cb 0.86 0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.08 1sqb h PRO 51 CO -0.00 1.06 -0.55 0.74 -0.21 0.00 0.00 178.00 179.04 1sqb h PHE 52 N 0.27 0.88 -0.65 0.65 0.04 -1.23 -0.77 116.94 116.12 1sqb h PHE 52 Ca -0.06 -0.36 -0.00 0.00 2.80 0.00 0.00 57.97 60.35 1sqb h PHE 52 Cb 1.45 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 39.42 1sqb h PHE 52 CO 0.05 1.15 0.40 0.28 -0.60 0.00 0.00 178.31 179.59 1sqb h VAL 53 N 0.36 1.18 -0.47 -0.55 2.07 -1.18 0.22 116.25 117.88 1sqb h VAL 53 Ca -0.02 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1sqb h VAL 53 Cb 1.17 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1sqb h VAL 53 CO 0.12 0.19 -0.18 0.00 0.02 0.00 0.00 177.57 177.71 1sqb h ALA 54 N 1.55 0.78 -0.21 1.67 0.00 -1.46 -2.07 119.26 119.51 1sqb h ALA 54 Ca 0.24 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1sqb h ALA 54 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1sqb h ALA 54 CO -0.05 0.66 -0.01 0.35 0.00 0.00 0.00 179.25 180.20 1sqb h PHE 55 N 0.82 0.42 -0.82 0.00 3.57 -0.61 -2.25 116.94 118.07 1sqb h PHE 55 Ca 0.12 -0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.68 1sqb h PHE 55 Cb 0.74 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 1sqb h PHE 55 CO 0.05 0.59 0.42 -0.92 -2.23 0.00 0.00 178.31 176.21 1sqb h TYR 56 N 0.14 0.73 -0.34 0.41 3.20 -0.47 0.62 116.97 121.26 1sqb h TYR 56 Ca 0.06 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1sqb h TYR 56 Cb 0.42 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1sqb h TYR 56 CO 0.04 0.18 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.55 1sqb h LEU 57 N 0.61 0.69 -1.29 2.82 3.38 -1.36 0.16 115.31 120.33 1sqb h LEU 57 Ca 0.44 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1sqb h LEU 57 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1sqb h LEU 57 CO -0.35 0.92 -0.31 0.58 0.09 0.00 0.00 178.44 179.37 1sqb h VAL 58 N 0.46 0.94 0.00 1.22 2.07 -0.74 -0.84 116.25 119.36 1sqb h VAL 58 Ca 0.08 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1sqb h VAL 58 Cb 0.64 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1sqb h VAL 58 CO 0.04 0.31 -0.05 0.22 0.02 0.00 0.00 177.57 178.11 1sqb h TYR 59 N 0.00 0.04 -0.57 1.57 3.20 0.31 -2.67 116.97 118.86 1sqb h TYR 59 Ca -0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1sqb h TYR 59 Cb 0.67 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1sqb h TYR 59 CO 0.00 0.87 0.23 1.15 -1.64 0.00 0.00 178.16 178.78 1sqb h THR 60 N -0.79 1.22 -0.18 1.81 2.02 -0.53 -2.16 112.91 114.29 1sqb h THR 60 Ca -0.01 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1sqb h THR 60 Cb 0.89 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1sqb h THR 60 CO 0.01 0.26 0.00 -0.25 0.37 0.00 0.00 175.52 175.92 1sqb h TRP 61 N 0.78 0.35 -0.67 3.16 7.01 -1.31 -2.87 115.95 122.39 1sqb h TRP 61 Ca 0.19 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.16 1sqb h TRP 61 Cb 0.19 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 1sqb h TRP 61 CO 0.01 0.52 0.42 0.78 -2.79 0.00 0.00 178.44 177.38 1sqb h GLY 62 N 0.08 0.97 1.01 2.65 0.00 -1.42 0.14 103.07 106.50 1sqb h GLY 62 Ca 0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1sqb h GLY 62 CO 0.01 0.28 0.05 -0.84 0.00 0.00 0.00 176.54 176.04 1sqb h THR 63 N 0.83 1.26 -0.01 4.70 2.02 -1.47 -1.72 112.91 118.53 1sqb h THR 63 Ca 0.27 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1sqb h THR 63 Cb 0.00 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1sqb h THR 63 CO -0.10 0.36 0.00 -0.61 0.37 0.00 0.00 175.52 175.55 1sqb h GLN 64 N 0.79 0.01 0.00 6.66 -0.00 -1.25 -2.95 115.11 118.37 1sqb h GLN 64 Ca 0.16 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.74 1sqb h GLN 64 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 1sqb h GLN 64 CO 0.02 0.08 -0.30 1.49 0.00 0.00 0.00 178.83 180.12 1sqb h GLU 65 N -0.06 0.00 -0.46 1.69 4.57 -0.94 -2.55 114.58 116.84 1sqb h GLU 65 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1sqb h GLU 65 Cb 0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1sqb h GLU 65 CO -0.00 0.30 -0.03 0.35 -1.18 0.00 0.00 179.01 178.45 1sqb h PHE 66 N 0.00 0.91 0.07 0.92 3.57 -1.20 -3.29 116.94 117.92 1sqb h PHE 66 Ca -0.00 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1sqb h PHE 66 Cb 0.54 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1sqb h PHE 66 CO 0.00 0.89 -0.03 0.93 -2.23 0.00 0.00 178.31 177.86 1sqb h GLU 67 N 0.67 -0.09 -4.03 1.11 5.08 -1.34 -3.36 114.58 112.62 1sqb h GLU 67 Ca 0.13 0.01 -0.75 0.00 -1.00 0.00 0.00 59.36 57.74 1sqb h GLU 67 Cb 0.54 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.65 1sqb h GLU 67 CO 0.03 0.34 1.70 1.63 -1.00 0.00 0.00 179.01 181.70 1sqb n LYS 68 N -4.92 3.53 0.00 2.33 4.76 -0.98 -4.02 118.16 118.86 1sqb n LYS 68 Ca -0.08 -3.70 0.00 0.00 -2.87 0.00 0.00 58.31 51.66 1sqb n LYS 68 Cb 0.24 -2.96 0.00 0.00 -1.84 0.00 0.00 35.03 30.47 1sqb n LYS 68 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1sqb n SER 69 N 4.56 0.00 0.01 4.39 3.41 -1.24 -4.76 113.62 119.99 1sqb n SER 69 Ca 0.38 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.82 1sqb n SER 69 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 1sqb n SER 69 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sqb h LYS 70 N 0.00 0.72 -6.97 4.33 1.57 -1.79 -3.46 116.57 110.97 1sqb h LYS 70 Ca 0.00 -0.65 -0.49 0.00 -1.87 0.00 0.00 60.65 57.63 1sqb h LYS 70 Cb 0.00 0.16 0.04 0.00 0.08 0.00 0.00 32.23 32.50 1sqb h LYS 70 CO 0.00 1.25 0.45 1.03 -0.57 0.00 0.00 179.45 181.61 1sqb s ARG 71 N -3.57 4.01 -0.09 3.15 0.52 -1.26 -5.07 118.95 116.64 1sqb s ARG 71 Ca -0.09 1.64 -0.05 0.00 -0.52 0.00 0.00 55.73 56.71 1sqb s ARG 71 Cb 0.08 -2.51 0.04 0.00 0.52 0.00 0.00 34.95 33.08 1sqb s ARG 71 CO 0.90 -0.30 0.21 -1.59 0.02 0.00 0.00 175.30 174.54 1sqb s LYS 72 N -2.54 0.18 0.02 3.54 0.00 -1.26 -5.05 119.74 114.63 1sqb s LYS 72 Ca 0.60 0.46 -0.22 0.00 0.00 0.00 0.00 55.97 56.80 1sqb s LYS 72 Cb -0.25 -0.11 -0.16 0.00 0.00 0.00 0.00 37.83 37.31 1sqb s LYS 72 CO 0.31 -0.15 1.32 -0.97 0.00 0.00 0.00 175.35 175.87 1sqb h ASN 73 N 7.04 0.25 -3.29 0.03 -0.73 -2.02 -3.45 115.58 113.41 1sqb h ASN 73 Ca -0.39 -0.48 -0.46 0.00 1.87 0.00 0.00 56.30 56.84 1sqb h ASN 73 Cb 1.16 -0.07 0.06 0.00 0.27 0.00 0.00 38.32 39.74 1sqb h ASN 73 CO 0.39 0.68 0.11 -2.84 -0.37 0.00 0.00 177.43 175.40 1sqb s PRO 74 N -4.30 2.54 0.00 6.67 0.02 -1.26 -5.37 135.00 133.31 1sqb s PRO 74 Ca -0.15 -0.36 0.09 0.00 0.02 0.00 0.00 61.00 60.60 1sqb s PRO 74 Cb 0.04 -2.32 0.52 0.00 0.02 0.00 0.00 34.50 32.76 1sqb s PRO 74 CO 0.73 -0.88 0.97 0.00 -0.33 0.00 0.00 177.00 177.49