#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlc s LYS 4 N 0.00 3.91 -0.28 3.23 -2.85 -1.26 -1.55 119.74 120.94 2qlc s LYS 4 Ca 0.00 0.07 -0.15 0.00 -1.00 0.00 0.00 55.97 54.89 2qlc s LYS 4 Cb 0.00 -3.30 -0.03 0.00 -2.06 0.00 0.00 37.83 32.43 2qlc s LYS 4 CO 0.00 0.53 0.36 0.08 0.10 0.00 0.00 175.35 176.42 2qlc s VAL 5 N -0.39 5.18 -0.20 1.79 1.01 -0.30 -4.92 120.40 122.58 2qlc s VAL 5 Ca 0.17 0.49 0.17 0.00 0.00 0.00 0.00 61.98 62.80 2qlc s VAL 5 Cb -0.13 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.30 2qlc s VAL 5 CO 0.06 0.13 0.08 0.29 0.00 0.00 0.00 175.10 175.66 2qlc n LYS 6 N 5.33 0.69 -3.56 2.72 4.76 -1.26 -4.87 118.16 121.96 2qlc n LYS 6 Ca -0.09 0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.28 2qlc n LYS 6 Cb 0.51 -1.53 0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2qlc n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qlc n GLY 7 N 1.77 1.06 0.34 0.72 0.00 -1.26 -5.06 105.19 102.76 2qlc n GLY 7 Ca -0.33 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.56 2qlc n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlc h ALA 8 N 2.00 2.00 -0.83 4.61 0.00 -2.00 -2.51 119.26 122.53 2qlc h ALA 8 Ca -0.31 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2qlc h ALA 8 Cb 1.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2qlc h ALA 8 CO 0.39 -0.11 0.54 -0.09 0.00 0.00 0.00 179.25 179.99 2qlc h ARG 9 N 0.37 1.06 0.00 0.00 2.43 -2.00 -1.24 114.38 115.00 2qlc h ARG 9 Ca 0.23 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2qlc h ARG 9 Cb 0.44 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qlc h ARG 9 CO -0.06 0.70 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.57 2qlc h ASP 10 N 1.09 0.00 0.05 -3.80 3.32 -1.84 -0.76 116.42 114.49 2qlc h ASP 10 Ca 0.31 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2qlc h ASP 10 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2qlc h ASP 10 CO -0.09 0.09 -0.03 0.58 -1.72 0.00 0.00 179.24 178.08 2qlc h VAL 11 N 0.00 1.22 -1.00 -1.35 2.07 -1.24 -0.34 116.25 115.62 2qlc h VAL 11 Ca -0.00 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.66 2qlc h VAL 11 Cb 0.16 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 2qlc h VAL 11 CO 0.01 0.24 0.63 0.15 0.02 0.00 0.00 177.57 178.62 2qlc h PHE 12 N -0.50 1.16 -0.08 1.57 3.57 -1.06 -0.37 116.94 121.23 2qlc h PHE 12 Ca -0.01 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 2qlc h PHE 12 Cb 0.45 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2qlc h PHE 12 CO 0.07 0.53 -0.82 0.93 -2.23 0.00 0.00 178.31 176.79 2qlc h GLU 13 N 1.07 0.56 -0.76 1.11 5.08 -1.12 -2.27 114.58 118.26 2qlc h GLU 13 Ca 0.46 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2qlc h GLU 13 Cb 0.33 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2qlc h GLU 13 CO -0.22 1.12 0.50 -0.92 -1.00 0.00 0.00 179.01 178.49 2qlc h TYR 14 N 0.36 0.95 0.00 4.33 3.20 -0.49 -3.14 116.97 122.18 2qlc h TYR 14 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2qlc h TYR 14 Cb 1.43 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2qlc h TYR 14 CO 0.07 0.59 -0.06 -1.33 -1.64 0.00 0.00 178.16 175.79 2qlc n MET 15 N -4.56 0.28 -2.35 1.82 2.81 -0.20 -4.68 117.12 110.24 2qlc n MET 15 Ca 0.07 0.21 -0.42 0.00 -1.81 0.00 0.00 57.70 55.75 2qlc n MET 15 Cb 0.02 -1.81 -0.03 0.00 -0.71 0.00 0.00 33.22 30.70 2qlc n MET 15 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2qlc s LYS 16 N -3.11 4.34 0.00 0.03 2.47 -0.87 -0.91 119.74 121.69 2qlc s LYS 16 Ca 0.10 1.82 0.00 0.00 -1.56 0.00 0.00 55.97 56.33 2qlc s LYS 16 Cb 0.12 -3.51 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 2qlc s LYS 16 CO 0.61 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 176.06 2qlc n GLY 17 N 3.46 1.96 0.46 5.54 0.00 -1.26 -4.90 105.19 110.45 2qlc n GLY 17 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2qlc n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qlc n ARG 18 N -2.00 1.18 -2.89 1.61 1.74 -0.09 -4.89 116.66 111.33 2qlc n ARG 18 Ca 0.00 -0.92 -0.41 0.00 -0.77 0.00 0.00 57.85 55.75 2qlc n ARG 18 Cb 0.00 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 2qlc n ARG 18 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qlc s ILE 19 N -2.45 4.88 0.15 0.55 1.01 -1.24 -4.98 121.20 119.11 2qlc s ILE 19 Ca 0.21 1.64 -0.25 0.00 0.00 0.00 0.00 60.65 62.25 2qlc s ILE 19 Cb 0.19 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.52 2qlc s ILE 19 CO 0.54 0.03 1.61 -0.65 0.00 0.00 0.00 174.94 176.46 2qlc h PRO 20 N 7.32 -0.33 -3.19 2.79 0.11 -1.97 -3.41 132.00 133.33 2qlc h PRO 20 Ca -0.29 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 2qlc h PRO 20 Cb 1.13 0.07 -0.28 0.00 0.11 0.00 0.00 31.00 32.03 2qlc h PRO 20 CO 0.84 -0.22 -0.51 0.16 -0.21 0.00 0.00 178.00 178.07 2qlc s ASP 21 N -4.98 -0.21 0.27 -2.05 -4.77 -1.26 -5.04 116.67 98.63 2qlc s ASP 21 Ca -0.15 0.42 0.25 0.00 -3.30 0.00 0.00 52.55 49.76 2qlc s ASP 21 Cb 0.11 0.37 0.97 0.00 -1.09 0.00 0.00 42.92 43.29 2qlc s ASP 21 CO 0.67 -0.11 1.74 -0.33 0.70 0.00 0.00 175.17 177.83 2qlc h GLU 22 N 6.47 0.00 -0.95 2.11 5.08 -2.00 -2.48 114.58 122.82 2qlc h GLU 22 Ca -0.33 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.32 2qlc h GLU 22 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2qlc h GLU 22 CO 0.39 0.00 0.36 1.15 -1.00 0.00 0.00 179.01 179.91 2qlc h THR 23 N 0.00 0.24 -2.79 1.13 2.02 -1.96 -3.38 112.91 108.17 2qlc h THR 23 Ca 0.00 -0.07 -0.59 0.00 0.77 0.00 0.00 66.41 66.52 2qlc h THR 23 Cb 0.43 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.78 2qlc h THR 23 CO 0.00 0.04 -0.61 -0.54 0.37 0.00 0.00 175.52 174.78 2qlc s LYS 24 N -5.81 2.66 0.10 6.66 -0.14 -0.94 -4.77 119.74 117.50 2qlc s LYS 24 Ca -0.11 -0.98 -0.30 0.00 -1.36 0.00 0.00 55.97 53.22 2qlc s LYS 24 Cb 0.29 -2.51 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 2qlc s LYS 24 CO 0.78 0.47 1.04 -1.21 -0.76 0.00 0.00 175.35 175.67 2qlc s GLU 25 N -3.01 4.60 0.11 1.68 2.02 -1.26 -4.58 118.70 118.26 2qlc s GLU 25 Ca 0.29 1.56 0.07 0.00 0.02 0.00 0.00 54.97 56.91 2qlc s GLU 25 Cb -0.10 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2qlc s GLU 25 CO 0.21 0.05 -0.18 -1.01 0.02 0.00 0.00 175.26 174.35 2qlc s HIS 26 N 0.31 1.62 -0.15 1.61 3.76 -1.25 -0.86 115.29 120.33 2qlc s HIS 26 Ca 0.50 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.97 2qlc s HIS 26 Cb -0.25 -0.87 0.01 0.00 1.11 0.00 0.00 32.58 32.58 2qlc s HIS 26 CO 0.31 0.19 -0.20 -1.17 -0.85 0.00 0.00 174.74 173.02 2qlc s LEU 27 N -2.10 2.23 0.26 0.89 1.98 -0.79 -2.11 118.68 119.03 2qlc s LEU 27 Ca 0.07 -0.56 0.11 0.00 -2.89 0.00 0.00 54.13 50.85 2qlc s LEU 27 Cb -0.08 -1.49 -0.05 0.00 0.66 0.00 0.00 46.19 45.23 2qlc s LEU 27 CO 0.04 0.08 -0.13 -0.36 -1.89 0.00 0.00 176.35 174.09 2qlc s PHE 28 N 0.85 2.47 -0.07 5.38 0.08 0.26 -0.65 117.98 126.30 2qlc s PHE 28 Ca -0.06 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.75 2qlc s PHE 28 Cb -0.15 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 2qlc s PHE 28 CO -0.02 0.64 -0.19 0.08 -0.10 0.00 0.00 175.22 175.64 2qlc s VAL 29 N -2.28 1.61 -0.19 -0.44 1.01 -0.38 -1.39 120.40 118.34 2qlc s VAL 29 Ca 0.29 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 2qlc s VAL 29 Cb -0.06 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2qlc s VAL 29 CO 0.16 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 175.07 2qlc s LEU 30 N 0.26 4.12 -0.22 3.92 1.02 0.11 -1.16 118.68 126.73 2qlc s LEU 30 Ca -0.11 0.21 -0.10 0.00 0.02 0.00 0.00 54.13 54.16 2qlc s LEU 30 Cb -0.15 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 2qlc s LEU 30 CO 0.05 0.20 0.13 -0.36 0.02 0.00 0.00 176.35 176.39 2qlc s PHE 31 N 0.23 3.31 0.10 0.29 0.08 -0.38 -1.28 117.98 120.32 2qlc s PHE 31 Ca 0.07 0.17 0.10 0.00 0.12 0.00 0.00 56.93 57.39 2qlc s PHE 31 Cb -0.11 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2qlc s PHE 31 CO -0.01 0.10 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.46 2qlc s LEU 32 N 0.81 2.37 0.88 -0.37 1.43 -0.11 0.64 118.68 124.33 2qlc s LEU 32 Ca 0.07 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 2qlc s LEU 32 Cb -0.13 -1.32 0.12 0.00 0.03 0.00 0.00 46.19 44.90 2qlc s LEU 32 CO 0.02 0.21 1.17 -0.94 0.23 0.00 0.00 176.35 177.04 2qlc s SER 33 N -1.81 3.81 0.49 2.29 1.04 0.35 -1.18 113.70 118.70 2qlc s SER 33 Ca 0.14 0.83 0.25 0.00 0.48 0.00 0.00 55.95 57.65 2qlc s SER 33 Cb -0.10 -1.32 1.32 0.00 0.10 0.00 0.00 66.02 66.02 2qlc s SER 33 CO 0.06 -2.35 1.90 0.74 0.98 0.00 0.00 173.24 174.57 2qlc h THR 34 N -1.36 0.64 -0.09 2.02 2.02 -1.92 0.07 112.91 114.29 2qlc h THR 34 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2qlc h THR 34 Cb 1.32 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2qlc h THR 34 CO 0.61 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.82 2qlc n LYS 35 N -4.38 1.22 -2.15 6.66 5.02 -1.26 -4.91 118.16 118.36 2qlc n LYS 35 Ca 0.17 -0.34 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 2qlc n LYS 35 Cb 0.79 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.65 2qlc n LYS 35 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qlc n ASN 36 N -0.27 -5.31 -4.76 4.39 5.03 0.01 -4.81 115.26 109.55 2qlc n ASN 36 Ca 0.06 0.10 -0.39 0.00 0.87 0.00 0.00 54.58 55.22 2qlc n ASN 36 Cb 0.09 -4.39 -0.05 0.00 -1.02 0.00 0.00 39.78 34.41 2qlc n ASN 36 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2qlc s GLN 37 N -4.58 4.38 -0.11 3.52 -1.52 -1.26 -1.15 119.66 118.94 2qlc s GLN 37 Ca 0.00 0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 53.96 2qlc s GLN 37 Cb 0.00 -3.35 -0.05 0.00 -0.22 0.00 0.00 33.01 29.39 2qlc s GLN 37 CO 0.00 0.34 1.69 0.42 -0.25 0.00 0.00 175.29 177.49 2qlc s ILE 38 N -0.14 3.56 -0.15 1.08 1.01 -0.59 -0.50 121.20 125.47 2qlc s ILE 38 Ca 0.34 0.66 -0.24 0.00 0.00 0.00 0.00 60.65 61.40 2qlc s ILE 38 Cb -0.19 -3.49 -0.25 0.00 0.01 0.00 0.00 42.46 38.55 2qlc s ILE 38 CO 0.19 -0.13 0.59 -0.07 0.00 0.00 0.00 174.94 175.52 2qlc h LEU 39 N 10.96 0.09 0.00 2.97 3.38 -0.15 -3.48 115.31 129.08 2qlc h LEU 39 Ca -0.38 -0.83 0.07 0.00 0.09 0.00 0.00 57.88 56.83 2qlc h LEU 39 Cb 1.18 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2qlc h LEU 39 CO 0.97 1.26 0.28 -2.11 0.09 0.00 0.00 178.44 178.93 2qlc n ARG 40 N -4.43 0.36 -4.23 1.13 1.85 -1.24 -5.02 116.66 105.08 2qlc n ARG 40 Ca -0.19 -0.79 -0.13 0.00 -1.00 0.00 0.00 57.85 55.74 2qlc n ARG 40 Cb 0.62 1.06 -0.10 0.00 -1.05 0.00 0.00 32.46 33.00 2qlc n ARG 40 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2qlc s HIS 41 N -4.19 1.16 0.09 2.89 -3.43 -1.26 -1.25 115.29 109.30 2qlc s HIS 41 Ca 0.11 -1.01 0.03 0.00 -0.80 0.00 0.00 55.06 53.39 2qlc s HIS 41 Cb -0.02 -0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 30.44 2qlc s HIS 41 CO 0.03 -0.21 -0.08 -1.21 -2.00 0.00 0.00 174.74 171.26 2qlc s GLU 42 N -3.91 0.80 -0.06 -0.38 2.02 -0.31 -4.96 118.70 111.90 2qlc s GLU 42 Ca 0.22 -1.16 -0.18 0.00 0.02 0.00 0.00 54.97 53.88 2qlc s GLU 42 Cb 0.06 -0.38 -0.05 0.00 0.10 0.00 0.00 34.13 33.86 2qlc s GLU 42 CO 0.03 0.04 0.48 0.99 0.02 0.00 0.00 175.26 176.82 2qlc s THR 43 N -2.70 5.08 -0.20 3.63 2.01 -1.26 -1.24 115.64 120.96 2qlc s THR 43 Ca 0.05 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 2qlc s THR 43 Cb -0.01 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 2qlc s THR 43 CO -0.02 0.42 -0.22 -0.38 -0.69 0.00 0.00 174.62 173.73 2qlc n ILE 44 N 2.92 1.10 -4.11 1.82 5.41 0.18 -4.95 119.36 121.73 2qlc n ILE 44 Ca -0.09 -0.34 -0.15 0.00 1.00 0.00 0.00 62.75 63.17 2qlc n ILE 44 Cb 0.52 -1.53 -0.12 0.00 -0.71 0.00 0.00 39.64 37.80 2qlc n ILE 44 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qlc s THR 45 N -2.37 0.78 -0.05 1.39 2.01 -1.18 -4.99 115.64 111.23 2qlc s THR 45 Ca -0.27 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.57 2qlc s THR 45 Cb 0.09 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.83 2qlc s THR 45 CO 0.39 -0.31 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.36 2qlc s ILE 46 N -1.31 0.40 0.00 1.82 1.01 -1.26 -1.89 121.20 119.96 2qlc s ILE 46 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2qlc s ILE 46 Cb -0.10 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2qlc s ILE 46 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2qlc n GLY 47 N 4.38 -1.07 3.51 6.18 0.00 -0.04 -5.00 105.19 113.14 2qlc n GLY 47 Ca -0.20 -2.18 -0.55 0.00 0.00 0.00 0.00 46.02 43.09 2qlc n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qlc n THR 48 N -0.07 0.43 -2.73 2.61 -1.04 -1.26 -4.66 114.28 107.56 2qlc n THR 48 Ca 0.00 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 2qlc n THR 48 Cb 0.00 -0.25 -0.03 0.00 -1.82 0.00 0.00 70.33 68.23 2qlc n THR 48 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2qlc s LEU 49 N 0.63 3.92 -0.07 -4.42 0.20 -1.26 -5.03 118.68 112.65 2qlc s LEU 49 Ca 0.83 0.67 0.03 0.00 0.69 0.00 0.00 54.13 56.35 2qlc s LEU 49 Cb -1.11 -3.38 0.01 0.00 -0.43 0.00 0.00 46.19 41.28 2qlc s LEU 49 CO 0.55 -0.93 -0.16 0.42 -0.29 0.00 0.00 176.35 175.94 2qlc s THR 50 N 3.68 1.41 0.28 3.68 -4.23 -1.26 -4.70 115.64 114.49 2qlc s THR 50 Ca 0.41 -0.65 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2qlc s THR 50 Cb -0.11 -1.25 0.44 0.00 1.34 0.00 0.00 72.50 72.92 2qlc s THR 50 CO 0.20 0.41 1.52 0.00 -0.54 0.00 0.00 174.62 176.21 2qlc n ALA 51 N 3.60 0.28 -0.33 3.99 0.00 -1.26 -0.75 120.51 126.03 2qlc n ALA 51 Ca -0.21 1.06 0.22 0.00 0.00 0.00 0.00 53.44 54.52 2qlc n ALA 51 Cb 0.52 -0.66 0.42 0.00 0.00 0.00 0.00 19.45 19.73 2qlc n ALA 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qlc h SER 52 N 0.00 -0.11 -0.12 0.00 0.87 -2.00 -0.85 113.55 111.34 2qlc h SER 52 Ca 0.49 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 2qlc h SER 52 Cb 0.80 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2qlc h SER 52 CO -0.99 -0.38 0.00 0.18 -0.53 0.00 0.00 176.83 175.11 2qlc n LEU 53 N -5.38 1.46 -4.26 2.23 4.32 0.07 -4.75 117.00 110.70 2qlc n LEU 53 Ca 0.30 -0.59 -0.34 0.00 -0.02 0.00 0.00 56.01 55.36 2qlc n LEU 53 Cb 0.99 -0.07 -0.15 0.00 -1.62 0.00 0.00 43.42 42.57 2qlc n LEU 53 CO -0.03 0.29 -0.45 0.27 -1.22 0.00 0.00 177.39 176.25 2qlc s ILE 54 N -1.85 2.85 -0.33 -0.08 -5.25 -0.32 -4.99 121.20 111.22 2qlc s ILE 54 Ca 0.33 -0.68 -0.03 0.00 -0.99 0.00 0.00 60.65 59.28 2qlc s ILE 54 Cb 0.18 -2.25 0.06 0.00 2.95 0.00 0.00 42.46 43.40 2qlc s ILE 54 CO 0.27 0.48 0.06 -1.00 -1.79 0.00 0.00 174.94 172.97 2qlc s HIS 55 N 1.17 3.31 0.57 1.37 3.76 -1.26 -4.98 115.29 119.24 2qlc s HIS 55 Ca 0.02 -1.84 0.32 0.00 -0.15 0.00 0.00 55.06 53.41 2qlc s HIS 55 Cb -0.14 -2.33 1.43 0.00 1.11 0.00 0.00 32.58 32.64 2qlc s HIS 55 CO -0.04 -0.81 1.76 -1.35 -0.85 0.00 0.00 174.74 173.45 2qlc h PRO 56 N 8.07 0.00 0.00 8.40 0.11 -1.97 -0.15 132.00 146.45 2qlc h PRO 56 Ca -0.20 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.83 2qlc h PRO 56 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2qlc h PRO 56 CO 0.58 0.00 -0.38 0.07 -0.21 0.00 0.00 178.00 178.05 2qlc h ARG 57 N 0.00 0.00 0.07 1.05 0.11 -1.98 -2.19 114.38 111.44 2qlc h ARG 57 Ca 0.41 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.30 2qlc h ARG 57 Cb 1.94 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.01 2qlc h ARG 57 CO -0.00 0.38 -0.99 0.93 0.10 0.00 0.00 179.97 180.39 2qlc h GLU 58 N 0.00 0.15 -0.11 0.08 4.39 -1.45 -2.29 114.58 115.34 2qlc h GLU 58 Ca -0.00 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.48 2qlc h GLU 58 Cb 0.73 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 2qlc h GLU 58 CO 0.05 1.12 -0.09 0.82 -1.16 0.00 0.00 179.01 179.75 2qlc h ILE 59 N -0.61 0.73 0.00 3.13 2.04 -1.59 -2.61 117.51 118.60 2qlc h ILE 59 Ca -0.22 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2qlc h ILE 59 Cb 1.48 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2qlc h ILE 59 CO 0.00 0.00 -0.06 -0.26 0.00 0.00 0.00 178.15 177.83 2qlc h PHE 60 N -0.10 0.00 -0.20 1.37 0.04 -1.53 -1.72 116.94 114.81 2qlc h PHE 60 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2qlc h PHE 60 Cb 0.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2qlc h PHE 60 CO -0.21 0.06 0.04 -0.22 -0.60 0.00 0.00 178.31 177.38 2qlc h LYS 61 N 0.00 0.32 -0.25 1.51 3.64 -1.26 -0.40 116.57 120.13 2qlc h LYS 61 Ca -0.00 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2qlc h LYS 61 Cb 0.90 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2qlc h LYS 61 CO 0.01 0.47 0.10 0.00 -2.27 0.00 0.00 179.45 177.76 2qlc h ALA 62 N 0.84 0.29 -0.31 5.00 0.00 -1.42 0.55 119.26 124.21 2qlc h ALA 62 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2qlc h ALA 62 Cb 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2qlc h ALA 62 CO 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 179.25 178.91 2qlc h ALA 63 N 1.15 0.24 0.02 0.00 0.00 -1.21 0.15 119.26 119.61 2qlc h ALA 63 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qlc h ALA 63 Cb 0.06 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qlc h ALA 63 CO -0.10 -0.44 -0.02 0.82 0.00 0.00 0.00 179.25 179.52 2qlc h ILE 64 N 0.04 0.96 -0.80 0.00 2.04 -0.95 0.17 117.51 118.98 2qlc h ILE 64 Ca 0.15 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.19 2qlc h ILE 64 Cb 0.22 0.96 -0.12 0.00 -0.74 0.00 0.00 36.82 37.14 2qlc h ILE 64 CO -0.28 0.00 0.25 -0.09 0.00 0.00 0.00 178.15 178.02 2qlc h ARG 65 N -0.04 0.30 -0.01 2.37 2.43 -0.51 0.44 114.38 119.37 2qlc h ARG 65 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qlc h ARG 65 Cb 0.04 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2qlc h ARG 65 CO -0.00 0.20 0.00 0.39 -1.51 0.00 0.00 179.97 179.05 2qlc n GLU 66 N -5.12 1.03 -3.91 0.20 -0.58 0.01 -4.88 120.64 107.39 2qlc n GLU 66 Ca 0.17 -0.04 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 2qlc n GLU 66 Cb 0.53 -1.29 0.02 0.00 -0.57 0.00 0.00 31.44 30.13 2qlc n GLU 66 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qlc n SER 67 N -0.74 -4.65 -4.70 1.62 7.64 0.14 -4.92 113.62 108.02 2qlc n SER 67 Ca 0.14 -0.77 -0.42 0.00 1.01 0.00 0.00 58.87 58.82 2qlc n SER 67 Cb 0.07 -3.72 -0.03 0.00 -1.01 0.00 0.00 64.21 59.52 2qlc n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qlc s ALA 68 N -3.27 3.61 0.11 -0.43 0.00 0.58 -4.92 121.76 117.45 2qlc s ALA 68 Ca 0.66 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.55 2qlc s ALA 68 Cb -0.33 -3.60 -0.13 0.00 0.00 0.00 0.00 23.12 19.06 2qlc s ALA 68 CO 0.81 -0.84 1.34 1.25 0.00 0.00 0.00 175.76 178.32 2qlc h HIS 69 N 7.53 1.10 -4.24 0.00 2.76 -1.42 -3.45 115.15 117.42 2qlc h HIS 69 Ca -0.40 -0.45 -0.26 0.00 -2.20 0.00 0.00 60.37 57.06 2qlc h HIS 69 Cb 1.19 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.87 2qlc h HIS 69 CO 0.72 1.29 -0.30 -1.54 -1.30 0.00 0.00 177.93 176.79 2qlc s SER 70 N -7.05 0.70 0.05 3.26 1.04 -1.06 -3.73 113.70 106.89 2qlc s SER 70 Ca -0.10 -1.41 0.01 0.00 0.48 0.00 0.00 55.95 54.93 2qlc s SER 70 Cb 0.09 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2qlc s SER 70 CO 0.90 -1.15 -0.06 0.27 0.98 0.00 0.00 173.24 174.19 2qlc s ILE 71 N -3.50 0.40 -0.06 -1.02 -4.36 -0.55 -0.94 121.20 111.18 2qlc s ILE 71 Ca 0.32 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.47 2qlc s ILE 71 Cb 0.01 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 42.91 2qlc s ILE 71 CO 0.18 -0.58 -0.15 -0.63 0.24 0.00 0.00 174.94 173.99 2qlc s ILE 72 N -2.12 1.34 -0.00 8.37 1.01 -0.40 -1.85 121.20 127.54 2qlc s ILE 72 Ca -0.06 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 2qlc s ILE 72 Cb -0.05 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 2qlc s ILE 72 CO -0.02 0.39 0.50 -0.76 0.00 0.00 0.00 174.94 175.06 2qlc s LEU 73 N 0.31 4.44 -0.05 2.97 1.02 -0.57 0.09 118.68 126.89 2qlc s LEU 73 Ca -0.09 1.06 0.03 0.00 0.02 0.00 0.00 54.13 55.15 2qlc s LEU 73 Cb -0.14 -2.76 0.01 0.00 0.02 0.00 0.00 46.19 43.32 2qlc s LEU 73 CO 0.03 0.20 -0.13 -0.69 0.02 0.00 0.00 176.35 175.79 2qlc s VAL 74 N -0.59 1.12 -0.07 -1.59 1.01 -0.49 0.09 120.40 119.89 2qlc s VAL 74 Ca 0.27 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2qlc s VAL 74 Cb -0.18 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2qlc s VAL 74 CO 0.15 0.34 -0.14 -2.28 0.00 0.00 0.00 175.10 173.17 2qlc s HIS 75 N 0.41 1.65 -0.16 5.22 2.46 -0.82 0.91 115.29 124.96 2qlc s HIS 75 Ca -0.09 -0.63 -0.05 0.00 0.47 0.00 0.00 55.06 54.76 2qlc s HIS 75 Cb -0.13 -1.18 -0.03 0.00 -0.13 0.00 0.00 32.58 31.10 2qlc s HIS 75 CO 0.03 -0.30 0.01 0.54 -2.47 0.00 0.00 174.74 172.55 2qlc s ASN 76 N 0.61 5.23 -0.34 9.88 4.22 -0.90 -0.56 114.94 133.08 2qlc s ASN 76 Ca -0.15 0.01 -0.17 0.00 -2.14 0.00 0.00 52.86 50.40 2qlc s ASN 76 Cb -0.16 -1.82 -0.01 0.00 1.28 0.00 0.00 41.25 40.54 2qlc s ASN 76 CO 0.05 0.20 0.45 -1.00 -2.04 0.00 0.00 177.10 174.76 2qlc s HIS 77 N 0.18 3.20 0.59 1.54 3.76 -1.07 -3.90 115.29 119.59 2qlc s HIS 77 Ca 0.01 0.15 0.29 0.00 -0.15 0.00 0.00 55.06 55.36 2qlc s HIS 77 Cb -0.13 -2.80 1.59 0.00 1.11 0.00 0.00 32.58 32.35 2qlc s HIS 77 CO 0.02 -0.47 2.02 -1.00 -0.85 0.00 0.00 174.74 174.46 2qlc h PRO 78 N 8.42 0.00 -0.36 8.40 0.13 -1.81 -0.52 132.00 146.26 2qlc h PRO 78 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2qlc h PRO 78 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2qlc h PRO 78 CO 0.73 0.00 0.18 0.66 -0.23 0.00 0.00 178.00 179.34 2qlc h SER 79 N 0.00 0.43 0.00 1.44 4.64 -1.93 -3.47 113.55 114.66 2qlc h SER 79 Ca 0.13 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2qlc h SER 79 Cb 0.75 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2qlc h SER 79 CO -0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 2qlc n GLY 80 N -1.33 1.11 3.60 -0.77 0.00 -0.20 -4.91 105.19 102.69 2qlc n GLY 80 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2qlc n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qlc s ASP 81 N -2.55 6.65 -0.05 1.61 -1.08 -1.26 -4.31 116.67 115.68 2qlc s ASP 81 Ca 0.00 0.50 0.18 0.00 -0.52 0.00 0.00 52.55 52.71 2qlc s ASP 81 Cb 0.00 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.52 2qlc s ASP 81 CO 0.00 -1.18 1.49 1.33 0.52 0.00 0.00 175.17 177.33 2qlc n VAL 82 N 6.67 1.23 -2.38 1.11 0.24 -1.26 -4.78 118.33 119.16 2qlc n VAL 82 Ca 0.11 -0.94 -0.40 0.00 -2.04 0.00 0.00 64.34 61.07 2qlc n VAL 82 Cb 0.49 0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 33.06 2qlc n VAL 82 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2qlc s GLN 83 N -1.49 4.52 0.16 7.34 -1.52 -1.26 -4.48 119.66 122.93 2qlc s GLN 83 Ca 0.44 1.90 -0.31 0.00 -1.95 0.00 0.00 55.36 55.44 2qlc s GLN 83 Cb 0.26 -3.11 -0.09 0.00 -0.22 0.00 0.00 33.01 29.84 2qlc s GLN 83 CO 0.25 0.07 1.50 -1.25 -0.25 0.00 0.00 175.29 175.61 2qlc s PRO 84 N -1.62 4.25 1.03 2.91 0.04 -1.26 -5.02 135.00 135.33 2qlc s PRO 84 Ca 0.47 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 2qlc s PRO 84 Cb -0.34 -3.17 0.21 0.00 0.04 0.00 0.00 34.50 31.24 2qlc s PRO 84 CO 0.43 -0.54 1.08 -1.12 0.04 0.00 0.00 177.00 176.89 2qlc s SER 85 N 1.03 2.27 0.31 6.66 0.01 -1.26 -4.90 113.70 117.82 2qlc s SER 85 Ca 0.67 1.38 0.07 0.00 1.31 0.00 0.00 55.95 59.38 2qlc s SER 85 Cb -0.42 -2.07 0.50 0.00 0.21 0.00 0.00 66.02 64.25 2qlc s SER 85 CO 0.32 -3.38 1.73 0.78 0.41 0.00 0.00 173.24 173.11 2qlc h ASN 86 N -2.06 0.24 0.75 2.44 2.35 -1.98 -2.11 115.58 115.21 2qlc h ASN 86 Ca -0.55 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.07 2qlc h ASN 86 Cb 1.32 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.63 2qlc h ASN 86 CO 0.54 0.60 -0.36 0.00 -1.65 0.00 0.00 177.43 176.56 2qlc h ALA 87 N 1.42 -1.15 -0.85 -0.83 0.00 -1.93 -1.79 119.26 114.13 2qlc h ALA 87 Ca 0.02 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 54.97 2qlc h ALA 87 Cb 0.76 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 2qlc h ALA 87 CO 0.06 -1.08 0.10 -0.25 0.00 0.00 0.00 179.25 178.08 2qlc n ASP 88 N -5.00 -0.02 0.20 0.00 8.00 -1.23 0.10 116.55 118.60 2qlc n ASP 88 Ca -0.13 1.43 0.06 0.00 0.71 0.00 0.00 54.79 56.87 2qlc n ASP 88 Cb 0.40 -0.55 0.38 0.00 -0.02 0.00 0.00 41.12 41.33 2qlc n ASP 88 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qlc h LYS 89 N 0.00 0.00 0.03 -1.24 1.57 -1.28 -2.88 116.57 112.77 2qlc h LYS 89 Ca 0.55 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2qlc h LYS 89 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2qlc h LYS 89 CO -0.77 0.35 -0.02 1.96 -0.57 0.00 0.00 179.45 180.40 2qlc h GLN 90 N 0.00 -0.04 0.07 3.15 4.20 0.16 -2.96 115.11 119.68 2qlc h GLN 90 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2qlc h GLN 90 Cb 0.80 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 2qlc h GLN 90 CO 0.05 0.64 -0.15 -0.39 -0.67 0.00 0.00 178.83 178.30 2qlc h VAL 91 N -0.82 0.64 -0.68 -0.54 -1.51 -1.38 -2.79 116.25 109.16 2qlc h VAL 91 Ca -0.00 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.61 2qlc h VAL 91 Cb 0.70 0.64 -0.10 0.00 -2.13 0.00 0.00 31.29 30.40 2qlc h VAL 91 CO 0.01 0.00 0.15 0.74 -1.23 0.00 0.00 177.57 177.24 2qlc h THR 92 N -0.29 0.56 -0.57 7.19 2.02 -1.61 -0.62 112.91 119.59 2qlc h THR 92 Ca 0.03 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2qlc h THR 92 Cb 0.32 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2qlc h THR 92 CO -0.10 0.05 0.34 -1.28 0.37 0.00 0.00 175.52 174.90 2qlc h SER 93 N 0.27 0.69 -0.18 4.18 0.87 -1.42 0.99 113.55 118.95 2qlc h SER 93 Ca 0.37 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 2qlc h SER 93 Cb 0.61 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2qlc h SER 93 CO -0.47 0.55 -0.10 0.40 -0.53 0.00 0.00 176.83 176.68 2qlc h ILE 94 N 0.77 1.31 -0.76 2.23 1.08 -1.02 -2.55 117.51 118.57 2qlc h ILE 94 Ca 0.20 -1.17 -0.04 0.00 -0.39 0.00 0.00 64.86 63.47 2qlc h ILE 94 Cb -0.00 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2qlc h ILE 94 CO -0.04 0.35 0.32 -0.07 -0.69 0.00 0.00 178.15 178.02 2qlc h LEU 95 N 0.06 1.03 0.13 1.44 4.07 -1.13 -1.71 115.31 119.21 2qlc h LEU 95 Ca 0.04 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 2qlc h LEU 95 Cb 0.59 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 2qlc h LEU 95 CO 0.03 0.91 -0.08 0.50 -1.08 0.00 0.00 178.44 178.71 2qlc h LYS 96 N 1.10 -0.20 -0.09 1.13 1.63 -0.78 -1.20 116.57 118.17 2qlc h LYS 96 Ca 0.26 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.08 2qlc h LYS 96 Cb 0.18 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2qlc h LYS 96 CO -0.02 -0.14 0.00 0.87 -3.45 0.00 0.00 179.45 176.71 2qlc h LYS 97 N -0.21 0.03 -0.72 1.90 1.57 -1.27 -2.06 116.57 115.81 2qlc h LYS 97 Ca -0.01 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2qlc h LYS 97 Cb 0.18 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 2qlc h LYS 97 CO 0.01 0.02 0.31 0.00 -0.57 0.00 0.00 179.45 179.22 2qlc h ALA 98 N 1.07 0.99 -0.06 3.86 0.00 -1.26 -1.15 119.26 122.71 2qlc h ALA 98 Ca 0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2qlc h ALA 98 Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qlc h ALA 98 CO -0.06 -0.15 -0.57 0.78 0.00 0.00 0.00 179.25 179.25 2qlc h GLY 99 N 0.49 0.21 0.92 0.00 0.00 -1.03 -0.63 103.07 103.02 2qlc h GLY 99 Ca 0.38 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2qlc h GLY 99 CO -0.34 0.22 -0.01 -0.55 0.00 0.00 0.00 176.54 175.86 2qlc h ASP 100 N 0.14 0.62 -0.27 0.19 3.32 -0.95 0.25 116.42 119.72 2qlc h ASP 100 Ca -0.00 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.74 2qlc h ASP 100 Cb 1.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 2qlc h ASP 100 CO 0.08 0.78 0.17 0.25 -1.72 0.00 0.00 179.24 178.80 2qlc h LEU 101 N 0.44 0.28 -0.06 1.55 5.85 -1.10 -3.06 115.31 119.21 2qlc h LEU 101 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2qlc h LEU 101 Cb 0.47 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2qlc h LEU 101 CO 0.02 0.21 -0.03 0.18 -0.34 0.00 0.00 178.44 178.48 2qlc n LEU 102 N -4.92 0.12 -3.55 2.25 4.77 -0.26 -4.92 117.00 110.50 2qlc n LEU 102 Ca -0.02 0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 2qlc n LEU 102 Cb 0.04 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2qlc n LEU 102 CO 0.33 0.02 0.12 0.00 -1.33 0.00 0.00 177.39 176.54 2qlc n GLN 103 N -1.16 -6.04 -3.72 3.23 6.02 0.61 -4.94 117.38 111.37 2qlc n GLN 103 Ca 0.15 0.74 -0.28 0.00 -0.01 0.00 0.00 57.00 57.60 2qlc n GLN 103 Cb 0.23 -5.66 -0.12 0.00 1.02 0.00 0.00 30.24 25.71 2qlc n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qlc s ILE 104 N -3.24 1.82 0.26 5.09 1.01 0.29 -4.92 121.20 121.51 2qlc s ILE 104 Ca 0.53 -3.34 -0.31 0.00 0.00 0.00 0.00 60.65 57.54 2qlc s ILE 104 Cb -0.25 -2.23 -0.11 0.00 0.01 0.00 0.00 42.46 39.88 2qlc s ILE 104 CO 0.66 -1.02 1.62 -0.70 0.00 0.00 0.00 174.94 175.50 2qlc s GLU 105 N -0.51 4.13 -0.69 2.79 2.12 -1.24 -4.35 118.70 120.95 2qlc s GLU 105 Ca 0.24 2.57 -0.27 0.00 0.36 0.00 0.00 54.97 57.88 2qlc s GLU 105 Cb -0.09 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.27 2qlc s GLU 105 CO -0.12 -0.66 1.49 -1.17 -0.54 0.00 0.00 175.26 174.26 2qlc s LEU 106 N 0.00 3.21 0.04 2.70 2.96 -1.26 -1.48 118.68 124.85 2qlc s LEU 106 Ca 0.66 -0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 54.25 2qlc s LEU 106 Cb -0.48 -2.55 -0.28 0.00 0.50 0.00 0.00 46.19 43.37 2qlc s LEU 106 CO 0.43 -2.03 1.09 0.25 -1.32 0.00 0.00 176.35 174.77 2qlc h LEU 107 N 14.25 0.82 -7.83 -0.68 5.85 -1.73 -3.47 115.31 122.51 2qlc h LEU 107 Ca -0.27 -0.82 0.01 0.00 0.84 0.00 0.00 57.88 57.63 2qlc h LEU 107 Cb 1.09 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 2qlc h LEU 107 CO 1.26 1.55 0.10 -0.62 -0.34 0.00 0.00 178.44 180.38 2qlc s ASP 108 N -7.31 -0.26 -0.16 1.25 -1.08 -1.26 -4.80 116.67 103.05 2qlc s ASP 108 Ca -0.10 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.37 2qlc s ASP 108 Cb 0.05 0.64 0.03 0.00 -1.46 0.00 0.00 42.92 42.18 2qlc s ASP 108 CO 0.91 -1.17 -0.10 -2.28 0.52 0.00 0.00 175.17 173.06 2qlc s HIS 109 N -3.90 2.01 -0.17 -5.34 5.65 -1.26 -1.51 115.29 110.77 2qlc s HIS 109 Ca 0.11 -1.23 -0.01 0.00 0.25 0.00 0.00 55.06 54.19 2qlc s HIS 109 Cb -0.03 -1.48 -0.00 0.00 -1.18 0.00 0.00 32.58 29.89 2qlc s HIS 109 CO 0.02 -0.65 -0.12 0.08 -0.65 0.00 0.00 174.74 173.42 2qlc s VAL 110 N 1.53 2.92 -0.15 0.89 1.01 0.11 -1.70 120.40 125.01 2qlc s VAL 110 Ca 0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 2qlc s VAL 110 Cb -0.14 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2qlc s VAL 110 CO -0.09 0.49 0.30 -0.63 0.00 0.00 0.00 175.10 175.18 2qlc s ILE 111 N 0.93 5.30 0.06 2.22 1.01 -0.38 -1.95 121.20 128.39 2qlc s ILE 111 Ca -0.02 0.57 0.09 0.00 0.00 0.00 0.00 60.65 61.29 2qlc s ILE 111 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2qlc s ILE 111 CO -0.01 0.39 -0.24 0.68 0.00 0.00 0.00 174.94 175.76 2qlc s VAL 112 N 0.43 2.32 0.00 2.92 -7.23 0.28 -0.09 120.40 119.02 2qlc s VAL 112 Ca 0.17 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 2qlc s VAL 112 Cb -0.13 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2qlc s VAL 112 CO 0.04 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 2qlc n GLY 113 N 1.54 5.59 3.59 2.32 0.00 0.89 -2.59 105.19 116.53 2qlc n GLY 113 Ca -0.17 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2qlc n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qlc s ASN 114 N 1.00 5.96 0.00 1.61 0.01 -1.26 -3.80 114.94 118.46 2qlc s ASN 114 Ca 0.00 0.90 0.00 0.00 -0.71 0.00 0.00 52.86 53.05 2qlc s ASN 114 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2qlc s ASN 114 CO 0.00 -1.72 0.00 0.59 -1.51 0.00 0.00 177.10 174.46 2qlc n ASN 115 N 10.12 0.00 -4.42 -1.22 4.13 -1.26 -4.95 115.26 117.67 2qlc n ASN 115 Ca 0.19 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.24 2qlc n ASN 115 Cb 0.48 -0.99 -0.10 0.00 -1.54 0.00 0.00 39.78 37.63 2qlc n ASN 115 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qlc s ASP 116 N -2.76 2.93 0.11 6.41 2.15 -1.25 -5.16 116.67 119.10 2qlc s ASP 116 Ca 0.00 -1.10 -0.13 0.00 0.43 0.00 0.00 52.55 51.75 2qlc s ASP 116 Cb 0.00 -0.20 0.02 0.00 -0.30 0.00 0.00 42.92 42.44 2qlc s ASP 116 CO 0.00 -0.20 0.31 -1.66 -0.17 0.00 0.00 175.17 173.45 2qlc s TRP 117 N -2.87 -0.03 -0.09 -5.34 -2.14 -1.26 -0.07 118.94 107.14 2qlc s TRP 117 Ca 0.27 -0.34 -0.00 0.00 2.66 0.00 0.00 56.10 58.69 2qlc s TRP 117 Cb 0.00 0.11 0.02 0.00 -3.10 0.00 0.00 33.47 30.51 2qlc s TRP 117 CO 0.11 -0.64 -0.05 0.12 -2.66 0.00 0.00 176.95 173.83 2qlc s PHE 118 N -3.83 1.15 -0.15 1.66 5.36 0.87 -4.96 117.98 118.07 2qlc s PHE 118 Ca 0.04 -0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 55.37 2qlc s PHE 118 Cb 0.03 -1.02 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 2qlc s PHE 118 CO -0.11 -0.40 0.36 0.45 -1.46 0.00 0.00 175.22 174.06 2qlc s SER 119 N 1.59 6.52 0.01 6.13 0.15 -1.26 -1.25 113.70 125.59 2qlc s SER 119 Ca 0.01 0.62 -0.25 0.00 0.70 0.00 0.00 55.95 57.03 2qlc s SER 119 Cb -0.13 -2.22 -0.18 0.00 -1.71 0.00 0.00 66.02 61.78 2qlc s SER 119 CO -0.05 0.06 1.38 -0.26 1.20 0.00 0.00 173.24 175.56 2qlc h PHE 120 N 6.72 -0.09 -0.94 3.44 -1.00 -1.73 -3.01 116.94 120.33 2qlc h PHE 120 Ca -0.41 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.46 2qlc h PHE 120 Cb 1.17 0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.69 2qlc h PHE 120 CO 0.61 0.25 0.61 -0.09 -1.61 0.00 0.00 178.31 178.07 2qlc h ARG 121 N -0.43 0.97 0.00 1.51 2.43 -1.87 -1.72 114.38 115.27 2qlc h ARG 121 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2qlc h ARG 121 Cb 0.37 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2qlc h ARG 121 CO 0.02 0.64 0.00 -0.44 -1.51 0.00 0.00 179.97 178.68 2qlc h ASP 122 N 1.00 0.00 -0.59 -3.80 5.19 -1.96 -2.13 116.42 114.14 2qlc h ASP 122 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 2qlc h ASP 122 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2qlc h ASP 122 CO -0.19 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.34 2qlc n HIS 123 N -2.86 1.87 -1.19 4.55 8.25 -0.84 -4.95 115.22 120.06 2qlc n HIS 123 Ca 0.03 -0.70 -0.07 0.00 -0.26 0.00 0.00 57.72 56.72 2qlc n HIS 123 Cb 0.39 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 2qlc n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qlc n ALA 124 N 0.75 -0.10 1.21 -1.41 0.00 -0.80 -4.84 120.51 115.32 2qlc n ALA 124 Ca 0.27 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.86 2qlc n ALA 124 Cb 1.10 -1.43 0.11 0.00 0.00 0.00 0.00 19.45 19.23 2qlc n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qlc n LEU 125 N -0.74 1.33 -0.75 0.00 4.77 -0.71 -5.01 117.00 115.89 2qlc n LEU 125 Ca -0.07 -0.66 0.09 0.00 -0.03 0.00 0.00 56.01 55.35 2qlc n LEU 125 Cb 0.47 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2qlc n LEU 125 CO 0.10 0.32 0.55 -0.11 -1.33 0.00 0.00 177.39 176.92