#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qar s ILE 16 N 0.00 4.31 -0.35 -1.33 1.01 -1.26 -5.06 121.20 118.52 2qar s ILE 16 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 2qar s ILE 16 Cb 0.00 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.33 2qar s ILE 16 CO 0.00 0.06 0.09 -0.13 0.00 0.00 0.00 174.94 174.96 2qar s ARG 17 N 1.56 2.12 0.70 2.79 1.81 -1.26 -5.11 118.95 121.56 2qar s ARG 17 Ca 0.04 -1.58 -0.14 0.00 -1.72 0.00 0.00 55.73 52.33 2qar s ARG 17 Cb -0.17 -3.34 0.02 0.00 -0.45 0.00 0.00 34.95 31.01 2qar s ARG 17 CO 0.04 -0.85 1.12 -0.51 -0.68 0.00 0.00 175.30 174.43 2qar s LEU 18 N 1.16 3.28 0.30 2.53 1.43 -1.26 -4.99 118.68 121.13 2qar s LEU 18 Ca 0.02 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 2qar s LEU 18 Cb -0.21 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.34 2qar s LEU 18 CO -0.03 -1.86 1.42 -2.65 0.23 0.00 0.00 176.35 173.46 2qar n PRO 19 N -2.76 2.28 -0.03 1.29 -0.02 -1.26 -4.87 135.00 129.63 2qar n PRO 19 Ca 0.11 0.81 0.22 0.00 -2.02 0.00 0.00 63.50 62.61 2qar n PRO 19 Cb 0.52 -2.48 0.71 0.00 -0.02 0.00 0.00 33.50 32.23 2qar n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qar h ALA 20 N 3.72 2.54 0.00 3.55 0.00 -2.02 0.21 119.26 127.27 2qar h ALA 20 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qar h ALA 20 Cb 1.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qar h ALA 20 CO 0.71 -0.76 0.00 -2.39 0.00 0.00 0.00 179.25 176.82 2qar n HIS 21 N -4.28 0.00 0.01 0.00 1.44 -1.26 -3.07 115.22 108.06 2qar n HIS 21 Ca 0.11 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.90 2qar n HIS 21 Cb 0.69 -0.46 0.17 0.00 0.12 0.00 0.00 29.99 30.51 2qar n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2qar n LEU 22 N -1.46 2.97 -0.01 2.39 4.77 0.75 -4.60 117.00 121.81 2qar n LEU 22 Ca 0.07 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2qar n LEU 22 Cb 0.25 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2qar n LEU 22 CO 0.21 0.70 0.47 0.54 -1.33 0.00 0.00 177.39 177.97 2qar n ARG 23 N 0.87 0.95 -2.56 3.23 1.74 -1.17 -4.78 116.66 114.94 2qar n ARG 23 Ca 0.14 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 2qar n ARG 23 Cb 0.46 -1.01 -0.00 0.00 -1.02 0.00 0.00 32.46 30.89 2qar n ARG 23 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qar s LEU 24 N -0.98 3.59 0.18 0.55 2.96 -1.26 -5.01 118.68 118.70 2qar s LEU 24 Ca 0.00 0.99 -0.32 0.00 -0.22 0.00 0.00 54.13 54.58 2qar s LEU 24 Cb 0.00 -3.96 -0.12 0.00 0.50 0.00 0.00 46.19 42.62 2qar s LEU 24 CO 0.00 -0.60 1.76 0.00 -1.32 0.00 0.00 176.35 176.18 2qar n GLN 25 N -2.27 2.75 0.09 1.98 6.02 -1.26 -4.85 117.38 119.83 2qar n GLN 25 Ca 0.01 0.99 0.20 0.00 -0.01 0.00 0.00 57.00 58.19 2qar n GLN 25 Cb 0.55 -2.85 0.67 0.00 1.02 0.00 0.00 30.24 29.63 2qar n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qar h PRO 26 N 7.32 0.00 0.00 -1.09 0.11 -1.94 0.96 132.00 137.36 2qar h PRO 26 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qar h PRO 26 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qar h PRO 26 CO 0.95 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.71 2qar h ILE 27 N 0.00 0.00 -0.02 4.15 2.10 -1.89 -1.69 117.51 120.17 2qar h ILE 27 Ca 0.20 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2qar h ILE 27 Cb 1.36 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 2qar h ILE 27 CO -0.00 0.00 -0.27 -1.22 -1.08 0.00 0.00 178.15 175.58 2qar n TYR 28 N -2.97 0.00 -1.85 2.19 4.02 0.33 -3.93 117.16 114.95 2qar n TYR 28 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2qar n TYR 28 Cb 0.19 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 2qar n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2qar s TRP 29 N -2.31 3.00 1.16 -0.72 0.51 -0.63 -4.93 118.94 115.02 2qar s TRP 29 Ca 0.24 0.51 -0.19 0.00 -2.12 0.00 0.00 56.10 54.54 2qar s TRP 29 Cb 0.19 -4.02 0.27 0.00 -0.81 0.00 0.00 33.47 29.11 2qar s TRP 29 CO 0.47 -3.79 1.14 -1.54 -0.51 0.00 0.00 176.95 172.72 2qar s SER 30 N 1.15 1.28 0.20 2.95 1.04 -1.26 -1.00 113.70 118.06 2qar s SER 30 Ca 0.72 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 57.65 2qar s SER 30 Cb -0.46 -0.79 0.14 0.00 0.10 0.00 0.00 66.02 65.01 2qar s SER 30 CO 0.32 -3.90 1.69 -0.09 0.98 0.00 0.00 173.24 172.24 2qar h ARG 31 N -2.43 1.05 -0.47 4.02 2.43 -1.91 -2.67 114.38 114.39 2qar h ARG 31 Ca -0.45 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.41 2qar h ARG 31 Cb 1.28 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2qar h ARG 31 CO 0.35 0.99 0.20 -0.44 -1.51 0.00 0.00 179.97 179.56 2qar h ASP 32 N 0.98 0.64 -0.70 -3.80 3.32 -1.93 -2.19 116.42 112.74 2qar h ASP 32 Ca 0.19 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.17 2qar h ASP 32 Cb 0.47 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 2qar h ASP 32 CO 0.02 0.62 0.35 0.44 -1.72 0.00 0.00 179.24 178.94 2qar h ASP 33 N 0.62 0.46 -0.45 6.45 3.32 -1.89 0.44 116.42 125.36 2qar h ASP 33 Ca 0.16 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2qar h ASP 33 Cb 0.17 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2qar h ASP 33 CO -0.02 0.27 0.24 0.58 -1.72 0.00 0.00 179.24 178.59 2qar h VAL 34 N 0.60 1.00 -0.63 -1.35 2.07 -1.25 -0.48 116.25 116.21 2qar h VAL 34 Ca 0.34 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.63 2qar h VAL 34 Cb 0.35 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2qar h VAL 34 CO -0.26 0.09 0.15 0.00 0.02 0.00 0.00 177.57 177.57 2qar h ALA 35 N 1.23 1.07 -0.14 1.67 0.00 -0.65 -2.22 119.26 120.22 2qar h ALA 35 Ca 0.19 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2qar h ALA 35 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qar h ALA 35 CO -0.12 0.61 -0.40 1.96 0.00 0.00 0.00 179.25 181.31 2qar h GLN 36 N 0.95 0.31 -0.64 0.00 1.08 -0.68 -2.44 115.11 113.70 2qar h GLN 36 Ca 0.20 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2qar h GLN 36 Cb 0.34 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2qar h GLN 36 CO 0.00 0.66 0.39 2.35 -0.95 0.00 0.00 178.83 181.28 2qar h TRP 37 N 0.26 0.83 -0.26 2.96 7.01 -0.59 -1.37 115.95 124.80 2qar h TRP 37 Ca 0.02 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 2qar h TRP 37 Cb 0.83 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2qar h TRP 37 CO 0.02 0.56 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.03 2qar h LEU 38 N 0.86 0.56 -0.21 0.65 3.38 -1.27 0.17 115.31 119.45 2qar h LEU 38 Ca 0.23 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qar h LEU 38 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2qar h LEU 38 CO -0.04 0.85 0.13 0.50 0.09 0.00 0.00 178.44 179.97 2qar h LYS 39 N 0.27 0.27 -0.50 1.13 3.64 -1.37 -0.05 116.57 119.95 2qar h LYS 39 Ca 0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2qar h LYS 39 Cb 0.64 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2qar h LYS 39 CO 0.04 0.18 0.30 2.35 -2.27 0.00 0.00 179.45 180.04 2qar h TRP 40 N 0.28 0.56 -0.71 1.91 7.01 -1.20 -2.91 115.95 120.87 2qar h TRP 40 Ca 0.08 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.05 2qar h TRP 40 Cb -0.02 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 2qar h TRP 40 CO -0.07 0.32 0.25 0.00 -2.79 0.00 0.00 178.44 176.15 2qar h ALA 41 N 1.22 0.93 -0.03 2.65 0.00 -0.62 -0.33 119.26 123.08 2qar h ALA 41 Ca 0.20 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qar h ALA 41 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2qar h ALA 41 CO -0.09 0.59 -0.22 1.49 0.00 0.00 0.00 179.25 181.01 2qar h GLU 42 N 1.04 -0.32 -0.25 0.00 4.81 -0.88 0.20 114.58 119.17 2qar h GLU 42 Ca 0.23 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2qar h GLU 42 Cb 0.26 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2qar h GLU 42 CO -0.01 -0.22 -0.35 -0.91 -0.73 0.00 0.00 179.01 176.79 2qar h ASN 43 N -0.34 0.75 -0.36 1.04 2.35 -1.41 -0.15 115.58 117.46 2qar h ASN 43 Ca 0.07 -0.51 -0.04 0.00 -0.55 0.00 0.00 56.30 55.27 2qar h ASN 43 Cb 0.43 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2qar h ASN 43 CO -0.23 1.11 0.10 -0.08 -1.65 0.00 0.00 177.43 176.69 2qar h GLU 44 N 0.41 0.65 -0.30 0.81 4.57 -0.93 -3.10 114.58 116.69 2qar h GLU 44 Ca 0.03 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2qar h GLU 44 Cb 0.94 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2qar h GLU 44 CO 0.08 0.60 0.00 1.19 -1.18 0.00 0.00 179.01 179.70 2qar n PHE 45 N -4.31 0.49 -3.96 0.92 3.01 0.05 -4.99 117.46 108.67 2qar n PHE 45 Ca 0.03 -0.57 -0.26 0.00 1.01 0.00 0.00 57.45 57.66 2qar n PHE 45 Cb 0.20 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 2qar n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qar n SER 46 N 0.23 -0.90 -4.93 4.37 7.64 -0.39 -4.95 113.62 114.70 2qar n SER 46 Ca 0.12 -0.98 -0.25 0.00 1.01 0.00 0.00 58.87 58.77 2qar n SER 46 Cb 0.49 -3.14 -0.00 0.00 -1.01 0.00 0.00 64.21 60.54 2qar n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qar s LEU 47 N -6.99 3.74 0.48 -3.43 1.43 -0.21 -5.04 118.68 108.66 2qar s LEU 47 Ca 0.11 0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 53.58 2qar s LEU 47 Cb -0.06 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 2qar s LEU 47 CO 0.88 -0.54 1.42 -0.44 0.23 0.00 0.00 176.35 177.90 2qar s SER 48 N -4.12 5.68 -0.11 2.29 0.01 -1.26 -4.84 113.70 111.34 2qar s SER 48 Ca 0.45 2.89 -0.40 0.00 1.31 0.00 0.00 55.95 60.21 2qar s SER 48 Cb -0.10 -2.65 -0.18 0.00 0.21 0.00 0.00 66.02 63.30 2qar s SER 48 CO 0.40 -1.31 1.42 -2.65 0.41 0.00 0.00 173.24 171.52 2qar n PRO 49 N -0.45 0.73 -3.56 12.44 -0.02 -1.26 -4.94 135.00 137.94 2qar n PRO 49 Ca 0.07 0.27 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 2qar n PRO 49 Cb 0.43 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2qar n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qar s ILE 50 N 1.54 5.29 0.47 4.25 1.01 -1.26 -5.07 121.20 127.43 2qar s ILE 50 Ca 0.92 0.27 -0.24 0.00 0.00 0.00 0.00 60.65 61.61 2qar s ILE 50 Cb -1.13 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 37.70 2qar s ILE 50 CO 0.59 0.25 1.37 -0.62 0.00 0.00 0.00 174.94 176.54 2qar s ASP 51 N 1.55 5.82 0.47 3.58 -1.08 -1.26 -4.90 116.67 120.84 2qar s ASP 51 Ca 0.09 2.80 0.13 0.00 -0.52 0.00 0.00 52.55 55.06 2qar s ASP 51 Cb -0.15 -2.64 1.07 0.00 -1.46 0.00 0.00 42.92 39.74 2qar s ASP 51 CO 0.09 -1.20 2.06 0.28 0.52 0.00 0.00 175.17 176.92 2qar h SER 52 N 2.16 0.10 -0.63 -0.34 0.02 -1.98 -2.91 113.55 109.96 2qar h SER 52 Ca -0.51 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.36 2qar h SER 52 Cb 1.27 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 2qar h SER 52 CO 0.60 0.15 0.10 0.59 -1.14 0.00 0.00 176.83 177.13 2qar n ASN 53 N -4.44 5.42 0.17 3.07 3.02 -1.26 -4.27 115.26 116.97 2qar n ASN 53 Ca -0.02 -3.05 0.06 0.00 -0.03 0.00 0.00 54.58 51.54 2qar n ASN 53 Cb 0.15 -0.71 0.12 0.00 -0.61 0.00 0.00 39.78 38.73 2qar n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2qar h THR 54 N 3.50 0.63 -2.10 3.41 1.35 -1.89 -3.36 112.91 114.45 2qar h THR 54 Ca 0.10 -1.79 -0.58 0.00 -0.55 0.00 0.00 66.41 63.59 2qar h THR 54 Cb 2.11 2.24 -0.40 0.00 -1.73 0.00 0.00 68.15 70.37 2qar h THR 54 CO 0.58 0.34 -0.91 0.49 -0.25 0.00 0.00 175.52 175.78 2qar n PHE 55 N -3.22 1.16 -2.30 4.73 3.01 -1.26 -4.95 117.46 114.63 2qar n PHE 55 Ca 0.02 -3.79 -0.43 0.00 1.01 0.00 0.00 57.45 54.27 2qar n PHE 55 Cb 0.65 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2qar n PHE 55 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qar n GLU 56 N 1.25 3.09 -3.52 -1.08 1.02 -1.26 -4.82 120.64 115.32 2qar n GLU 56 Ca 0.25 -3.07 -0.08 0.00 -0.02 0.00 0.00 57.16 54.24 2qar n GLU 56 Cb 0.48 -3.41 -0.02 0.00 -0.02 0.00 0.00 31.44 28.47 2qar n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qar s MET 57 N 3.76 0.70 0.93 3.49 0.23 -1.26 -5.13 119.30 122.03 2qar s MET 57 Ca 0.51 -0.26 -0.14 0.00 -1.03 0.00 0.00 55.69 54.77 2qar s MET 57 Cb 0.07 0.32 0.19 0.00 -1.53 0.00 0.00 34.83 33.89 2qar s MET 57 CO 0.02 -0.31 1.28 0.54 -2.03 0.00 0.00 175.02 174.53 2qar s ASN 58 N -2.40 3.27 0.30 -1.18 2.20 -1.26 -4.28 114.94 111.59 2qar s ASN 58 Ca 0.06 0.20 0.02 0.00 -0.94 0.00 0.00 52.86 52.19 2qar s ASN 58 Cb -0.01 -0.28 0.48 0.00 -2.00 0.00 0.00 41.25 39.44 2qar s ASN 58 CO -0.08 -2.63 1.82 1.23 -2.94 0.00 0.00 177.10 174.50 2qar h GLY 59 N -1.51 0.68 2.00 0.45 0.00 -1.20 -1.25 103.07 102.24 2qar h GLY 59 Ca -0.43 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 2qar h GLY 59 CO 0.38 0.40 -0.25 0.07 0.00 0.00 0.00 176.54 177.14 2qar h LYS 60 N 0.60 0.00 -0.00 4.80 2.10 -1.70 -1.59 116.57 120.78 2qar h LYS 60 Ca 0.12 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.74 2qar h LYS 60 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2qar h LYS 60 CO 0.02 0.25 -0.11 0.00 -2.00 0.00 0.00 179.45 177.61 2qar h ALA 61 N 1.75 0.02 -0.99 0.07 0.00 -1.84 -3.31 119.26 114.95 2qar h ALA 61 Ca -0.00 -0.42 0.25 0.00 0.00 0.00 0.00 54.91 54.74 2qar h ALA 61 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2qar h ALA 61 CO 0.03 -0.03 0.66 1.25 0.00 0.00 0.00 179.25 181.16 2qar h LEU 62 N -0.64 0.32 -0.36 0.00 5.85 -0.91 -0.35 115.31 119.22 2qar h LEU 62 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qar h LEU 62 Cb 0.86 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2qar h LEU 62 CO 0.02 0.09 0.00 -0.07 -0.34 0.00 0.00 178.44 178.14 2qar h LEU 63 N 0.30 0.00 0.00 2.25 3.38 -1.39 -2.98 115.31 116.88 2qar h LEU 63 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2qar h LEU 63 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2qar h LEU 63 CO -0.18 0.00 -0.33 -0.07 0.09 0.00 0.00 178.44 177.95 2qar h LEU 64 N 0.00 0.00 -9.94 1.67 3.38 -1.16 -3.46 115.31 105.79 2qar h LEU 64 Ca 0.00 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.41 2qar h LEU 64 Cb 0.67 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.46 2qar h LEU 64 CO 0.00 0.03 0.48 -0.76 0.09 0.00 0.00 178.44 178.28 2qar s LEU 65 N -5.09 4.19 0.61 1.67 1.43 -1.13 -5.06 118.68 115.31 2qar s LEU 65 Ca 0.07 2.28 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 2qar s LEU 65 Cb 0.10 -4.05 0.05 0.00 0.03 0.00 0.00 46.19 42.32 2qar s LEU 65 CO 0.68 -0.64 0.87 0.42 0.23 0.00 0.00 176.35 177.92 2qar s THR 66 N -1.46 2.50 0.36 5.49 -4.23 -1.26 -4.95 115.64 112.09 2qar s THR 66 Ca 0.57 -0.52 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2qar s THR 66 Cb -0.29 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.77 2qar s THR 66 CO 0.36 0.00 1.95 0.50 -0.54 0.00 0.00 174.62 176.89 2qar h LYS 67 N -0.20 0.57 -0.73 3.99 3.64 -1.97 -1.47 116.57 120.40 2qar h LYS 67 Ca -0.43 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 2qar h LYS 67 Cb 1.30 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2qar h LYS 67 CO 0.54 0.50 0.36 0.93 -2.27 0.00 0.00 179.45 179.51 2qar h GLU 68 N 0.57 1.03 -0.50 1.90 3.07 -1.98 -1.46 114.58 117.22 2qar h GLU 68 Ca 0.14 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2qar h GLU 68 Cb 0.15 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2qar h GLU 68 CO -0.01 0.79 0.03 -0.44 -1.40 0.00 0.00 179.01 177.98 2qar h ASP 69 N 1.03 0.83 -0.87 1.42 3.32 -1.67 -0.75 116.42 119.73 2qar h ASP 69 Ca 0.25 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2qar h ASP 69 Cb 0.09 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 2qar h ASP 69 CO -0.03 0.92 0.55 -0.26 -1.72 0.00 0.00 179.24 178.69 2qar h PHE 70 N 0.72 1.13 -0.39 4.55 -1.00 -1.11 -1.88 116.94 118.96 2qar h PHE 70 Ca 0.15 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.79 2qar h PHE 70 Cb 0.47 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2qar h PHE 70 CO 0.04 0.73 -0.32 0.00 -1.61 0.00 0.00 178.31 177.15 2qar h ARG 71 N 1.19 0.87 -0.66 1.51 3.08 -0.97 0.24 114.38 119.64 2qar h ARG 71 Ca 0.32 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 2qar h ARG 71 Cb -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2qar h ARG 71 CO -0.06 1.06 0.18 -0.92 -1.07 0.00 0.00 179.97 179.16 2qar h TYR 72 N 0.72 1.08 -0.01 3.04 5.03 -1.01 -2.05 116.97 123.78 2qar h TYR 72 Ca 0.07 -0.12 -0.26 0.00 2.58 0.00 0.00 58.73 61.01 2qar h TYR 72 Cb 0.89 -0.31 0.02 0.00 1.55 0.00 0.00 36.73 38.88 2qar h TYR 72 CO 0.05 0.89 -1.00 0.00 -1.32 0.00 0.00 178.16 176.78 2qar h ARG 73 N 0.97 0.69 -2.82 1.82 3.08 -1.19 -3.40 114.38 113.53 2qar h ARG 73 Ca 0.21 -0.73 -0.60 0.00 0.07 0.00 0.00 59.98 58.92 2qar h ARG 73 Cb 0.33 0.20 -0.40 0.00 0.08 0.00 0.00 29.97 30.19 2qar h ARG 73 CO -0.00 1.31 -0.77 0.45 -1.07 0.00 0.00 179.97 179.88 2qar s SER 74 N -7.24 3.27 0.52 7.04 0.15 0.84 -4.97 113.70 113.31 2qar s SER 74 Ca -0.10 -2.94 0.24 0.00 0.70 0.00 0.00 55.95 53.85 2qar s SER 74 Cb 0.07 -0.95 1.36 0.00 -1.71 0.00 0.00 66.02 64.79 2qar s SER 74 CO 0.91 -0.21 2.01 -0.65 1.20 0.00 0.00 173.24 176.51 2qar h PRO 75 N 6.22 0.02 0.00 5.44 0.11 -1.59 0.50 132.00 142.71 2qar h PRO 75 Ca 0.10 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.99 2qar h PRO 75 Cb 0.89 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2qar h PRO 75 CO 0.48 0.01 -1.23 0.45 -0.21 0.00 0.00 178.00 177.50 2qar h HIS 76 N 0.02 0.00 0.00 0.65 3.86 -1.94 -3.42 115.15 114.32 2qar h HIS 76 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2qar h HIS 76 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2qar h HIS 76 CO -0.00 0.88 0.00 0.43 0.86 0.00 0.00 177.93 180.10 2qar n SER 77 N -3.16 0.09 -0.21 2.45 7.64 -0.98 -4.90 113.62 114.54 2qar n SER 77 Ca -0.07 -0.65 0.02 0.00 1.01 0.00 0.00 58.87 59.17 2qar n SER 77 Cb 0.94 0.05 0.12 0.00 -1.01 0.00 0.00 64.21 64.31 2qar n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2qar h GLY 78 N 0.00 0.76 1.38 0.23 0.00 -0.16 -0.12 103.07 105.16 2qar h GLY 78 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2qar h GLY 78 CO 0.00 -0.16 0.04 1.29 0.00 0.00 0.00 176.54 177.71 2qar h ASP 79 N 0.20 0.72 -0.18 0.19 -0.00 -1.85 0.40 116.42 115.92 2qar h ASP 79 Ca 0.33 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.03 57.18 2qar h ASP 79 Cb 0.53 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.66 2qar h ASP 79 CO -0.46 0.77 0.01 0.58 -0.00 0.00 0.00 179.24 180.13 2qar h VAL 80 N 0.72 1.24 -0.79 4.15 2.07 -1.62 -1.05 116.25 120.98 2qar h VAL 80 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2qar h VAL 80 Cb 0.38 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2qar h VAL 80 CO 0.01 0.25 0.48 -0.07 0.02 0.00 0.00 177.57 178.26 2qar h LEU 81 N 0.07 0.94 -0.28 2.57 3.38 -0.86 0.32 115.31 121.45 2qar h LEU 81 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qar h LEU 81 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2qar h LEU 81 CO 0.01 0.72 0.10 0.22 0.09 0.00 0.00 178.44 179.58 2qar h TYR 82 N 1.08 0.44 0.00 1.13 3.20 -0.83 -1.35 116.97 120.65 2qar h TYR 82 Ca 0.28 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 2qar h TYR 82 Cb -0.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2qar h TYR 82 CO -0.01 0.46 -0.50 0.93 -1.64 0.00 0.00 178.16 177.41 2qar h GLU 83 N 0.30 0.00 -0.16 1.82 4.39 -1.02 -1.68 114.58 118.23 2qar h GLU 83 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2qar h GLU 83 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2qar h GLU 83 CO -0.00 0.50 0.05 1.25 -1.16 0.00 0.00 179.01 179.64 2qar h LEU 84 N 0.00 0.24 -0.80 1.33 5.85 -0.82 -2.10 115.31 119.01 2qar h LEU 84 Ca -0.00 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2qar h LEU 84 Cb 1.03 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2qar h LEU 84 CO 0.06 0.38 0.50 0.25 -0.34 0.00 0.00 178.44 179.30 2qar h LEU 85 N 0.08 0.81 -1.11 2.25 5.85 -0.95 -0.52 115.31 121.71 2qar h LEU 85 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2qar h LEU 85 Cb 0.23 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2qar h LEU 85 CO -0.00 0.55 0.39 1.56 -0.34 0.00 0.00 178.44 180.60 2qar h GLN 86 N 0.96 1.01 -0.44 1.25 1.08 -1.22 0.28 115.11 118.03 2qar h GLN 86 Ca 0.33 -0.11 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 2qar h GLN 86 Cb 0.07 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2qar h GLN 86 CO -0.13 0.74 -0.27 0.45 -0.95 0.00 0.00 178.83 178.67 2qar h HIS 87 N 1.01 1.09 -0.05 2.96 3.86 -0.71 -1.60 115.15 121.71 2qar h HIS 87 Ca 0.26 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2qar h HIS 87 Cb 0.04 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.26 2qar h HIS 87 CO 0.01 1.09 0.02 0.82 0.86 0.00 0.00 177.93 180.72 2qar h ILE 88 N 0.80 1.16 -0.91 2.45 2.04 -0.71 -2.41 117.51 119.93 2qar h ILE 88 Ca 0.09 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.55 2qar h ILE 88 Cb 0.84 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 2qar h ILE 88 CO 0.07 0.14 0.56 -0.07 0.00 0.00 0.00 178.15 178.85 2qar h LEU 89 N -0.11 0.84 -0.31 1.44 3.38 -0.90 -1.99 115.31 117.66 2qar h LEU 89 Ca 0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qar h LEU 89 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qar h LEU 89 CO -0.00 0.50 0.08 0.11 0.09 0.00 0.00 178.44 179.21 2qar h LYS 90 N 0.95 0.50 -0.21 1.13 1.57 -1.17 -1.08 116.57 118.27 2qar h LYS 90 Ca 0.42 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 2qar h LYS 90 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2qar h LYS 90 CO -0.22 0.57 -0.42 0.37 -0.57 0.00 0.00 179.45 179.18 2qar h GLN 91 N 0.34 0.49 -0.44 3.15 4.15 -1.17 -1.89 115.11 119.75 2qar h GLN 91 Ca 0.10 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 2qar h GLN 91 Cb 0.29 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2qar h GLN 91 CO 0.00 0.82 -0.21 0.00 -1.93 0.00 0.00 178.83 177.51 2qar h ARG 92 N 0.41 0.88 -0.69 1.69 2.47 -1.32 -2.30 114.38 115.52 2qar h ARG 92 Ca 0.03 -0.36 -0.04 0.00 -1.26 0.00 0.00 59.98 58.36 2qar h ARG 92 Cb 0.90 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 2qar h ARG 92 CO 0.08 1.01 0.29 -0.44 0.56 0.00 0.00 179.97 181.46 2qar h ASP 93 N 0.77 0.92 -0.37 7.04 3.45 -0.89 -0.84 116.42 126.49 2qar h ASP 93 Ca 0.10 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 2qar h ASP 93 Cb 0.76 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 2qar h ASP 93 CO 0.06 0.81 -0.06 -0.07 -1.57 0.00 0.00 179.24 178.41 2qar h LEU 94 N 0.99 0.69 -1.37 1.55 3.38 -1.26 -2.43 115.31 116.85 2qar h LEU 94 Ca 0.23 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2qar h LEU 94 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qar h LEU 94 CO -0.02 0.87 -0.04 -0.33 0.09 0.00 0.00 178.44 179.01 2qar h GLU 95 N 0.50 0.37 -0.35 1.13 5.08 -1.17 -1.28 114.58 118.85 2qar h GLU 95 Ca 0.10 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2qar h GLU 95 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2qar h GLU 95 CO 0.03 0.43 -0.28 0.00 -1.00 0.00 0.00 179.01 178.19 2qar h ALA 96 N 1.61 0.84 0.00 3.43 0.00 -0.97 -1.86 119.26 122.30 2qar h ALA 96 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qar h ALA 96 Cb 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qar h ALA 96 CO 0.01 0.64 -0.36 -0.85 0.00 0.00 0.00 179.25 178.69 2qar n GLU 97 N -4.09 0.01 0.06 0.00 0.28 -0.93 -1.76 120.64 114.21 2qar n GLU 97 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 2qar n GLU 97 Cb 0.46 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.69 2qar n GLU 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qar h ALA 98 N 2.98 0.32 0.00 -1.84 0.00 -1.10 -2.82 119.26 116.80 2qar h ALA 98 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 54.91 53.71 2qar h ALA 98 Cb 0.51 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2qar h ALA 98 CO 0.00 1.18 -0.43 0.00 0.00 0.00 0.00 179.25 180.00 2qar h ALA 99 N 0.60 0.74 0.01 0.00 0.00 -1.37 -3.17 119.26 116.06 2qar h ALA 99 Ca -0.22 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 2qar h ALA 99 Cb 1.99 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.71 2qar h ALA 99 CO 0.15 0.54 -0.42 0.00 0.00 0.00 0.00 179.25 179.53 2qar h ALA 100 N 1.57 0.04 0.00 0.00 0.00 -1.43 -2.58 119.26 116.86 2qar h ALA 100 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2qar h ALA 100 Cb 1.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2qar h ALA 100 CO 0.06 0.21 -0.31 0.00 0.00 0.00 0.00 179.25 179.21 2qar h ALA 101 N 0.26 1.38 0.16 0.00 0.00 -1.62 -2.61 119.26 116.84 2qar h ALA 101 Ca -0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 2qar h ALA 101 Cb 1.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2qar h ALA 101 CO 0.08 0.38 -1.39 1.49 0.00 0.00 0.00 179.25 179.82 2qar h GLU 102 N 0.00 0.35 -0.24 0.00 4.81 -1.63 -2.33 114.58 115.53 2qar h GLU 102 Ca -0.00 -0.59 -0.08 0.00 -0.13 0.00 0.00 59.36 58.55 2qar h GLU 102 Cb 0.58 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2qar h GLU 102 CO 0.04 1.27 -0.19 0.00 -0.73 0.00 0.00 179.01 179.39 2qar h ALA 103 N 0.43 1.22 0.00 2.92 0.00 -1.35 -1.31 119.26 121.17 2qar h ALA 103 Ca -0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2qar h ALA 103 Cb 2.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2qar h ALA 103 CO 0.21 0.50 -0.47 0.00 0.00 0.00 0.00 179.25 179.50 2qar h ALA 104 N 1.41 0.77 -0.21 0.00 0.00 -1.54 -1.90 119.26 117.79 2qar h ALA 104 Ca 0.07 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 2qar h ALA 104 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qar h ALA 104 CO 0.04 0.58 -0.63 0.00 0.00 0.00 0.00 179.25 179.24 2qar h ALA 105 N 1.53 0.49 -0.00 0.00 0.00 -0.80 -3.27 119.26 117.21 2qar h ALA 105 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 2qar h ALA 105 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qar h ALA 105 CO 0.06 0.69 -0.20 -0.22 0.00 0.00 0.00 179.25 179.59 2qar h LYS 106 N 0.54 0.13 -0.01 0.00 3.64 -1.32 -3.51 116.57 116.05 2qar h LYS 106 Ca -0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2qar h LYS 106 Cb 1.22 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2qar h LYS 106 CO 0.13 0.89 0.00 0.00 -2.27 0.00 0.00 179.45 178.20