#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlc s VAL 5 N 0.00 4.05 -0.12 3.15 1.01 -0.22 -4.83 120.40 123.44 2qlc s VAL 5 Ca 0.00 1.08 0.17 0.00 0.00 0.00 0.00 61.98 63.23 2qlc s VAL 5 Cb 0.00 -4.36 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 2qlc s VAL 5 CO 0.00 -0.83 0.82 0.29 0.00 0.00 0.00 175.10 175.39 2qlc n LYS 6 N 7.90 0.62 -3.42 2.72 4.76 -1.26 -4.95 118.16 124.53 2qlc n LYS 6 Ca 0.15 0.23 -0.02 0.00 -2.87 0.00 0.00 58.31 55.79 2qlc n LYS 6 Cb 0.48 -1.81 0.02 0.00 -1.84 0.00 0.00 35.03 31.88 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 1.40 0.70 0.28 0.72 0.00 -1.26 -5.03 105.19 102.00 2qlc n GLY 7 Ca -0.10 -1.10 0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 1.02 -0.86 4.61 0.00 -2.00 -2.43 119.26 121.59 2qlc h ALA 8 Ca -0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2qlc h ALA 8 Cb 0.97 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2qlc h ALA 8 CO 0.29 0.04 0.49 -0.09 0.00 0.00 0.00 179.25 179.98 2qlc h ARG 9 N 0.00 1.20 -0.40 0.00 2.43 -1.98 0.75 114.38 116.37 2qlc h ARG 9 Ca -0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2qlc h ARG 9 Cb 0.45 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2qlc h ARG 9 CO 0.00 0.87 0.11 -0.44 -1.51 0.00 0.00 179.97 179.00 2qlc h ASP 10 N 1.20 0.54 -0.16 -3.80 3.32 -1.83 -1.28 116.42 114.41 2qlc h ASP 10 Ca 0.31 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 2qlc h ASP 10 Cb 0.01 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2qlc h ASP 10 CO -0.05 0.53 -0.20 0.58 -1.72 0.00 0.00 179.24 178.38 2qlc h VAL 11 N 0.58 1.35 -0.77 -1.35 2.07 -1.43 -1.40 116.25 115.30 2qlc h VAL 11 Ca 0.14 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.38 2qlc h VAL 11 Cb 0.20 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 2qlc h VAL 11 CO -0.01 0.42 0.38 0.15 0.02 0.00 0.00 177.57 178.53 2qlc h PHE 12 N 0.04 0.66 -0.09 1.57 3.57 -0.80 -1.44 116.94 120.45 2qlc h PHE 12 Ca 0.02 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2qlc h PHE 12 Cb 0.76 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2qlc h PHE 12 CO 0.09 0.19 -0.55 1.49 -2.23 0.00 0.00 178.31 177.29 2qlc h GLU 13 N 0.59 0.27 -0.15 1.11 4.57 -1.18 -3.15 114.58 116.63 2qlc h GLU 13 Ca 0.40 -0.17 -0.17 0.00 -1.18 0.00 0.00 59.36 58.25 2qlc h GLU 13 Cb 0.52 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2qlc h GLU 13 CO -0.33 0.75 -0.59 -0.92 -1.18 0.00 0.00 179.01 176.74 2qlc h TYR 14 N 0.21 0.65 0.00 0.92 3.20 -0.70 -3.11 116.97 118.14 2qlc h TYR 14 Ca 0.00 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2qlc h TYR 14 Cb 1.04 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2qlc h TYR 14 CO 0.02 0.97 0.00 0.52 -1.64 0.00 0.00 178.16 178.04 2qlc h MET 15 N 0.38 0.00 -6.25 1.82 2.86 -1.24 -3.42 114.93 109.08 2qlc h MET 15 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 2qlc h MET 15 Cb 1.14 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.81 2qlc h MET 15 CO 0.11 0.00 1.30 0.15 1.06 0.00 0.00 176.91 179.52 2qlc s LYS 16 N -3.24 3.84 0.00 1.72 1.02 -1.18 -1.49 119.74 120.41 2qlc s LYS 16 Ca 0.07 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.44 2qlc s LYS 16 Cb 0.10 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 2qlc s LYS 16 CO 0.49 -1.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.04 2qlc n GLY 17 N 4.87 1.59 1.03 -3.33 0.00 -1.26 -4.91 105.19 103.18 2qlc n GLY 17 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 2.36 -3.08 1.61 1.74 -0.56 -4.82 116.66 111.90 2qlc n ARG 18 Ca 0.00 -2.16 -0.43 0.00 -0.77 0.00 0.00 57.85 54.49 2qlc n ARG 18 Cb 0.00 -1.46 -0.06 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 -1.37 4.81 0.38 0.55 1.01 -1.25 -4.96 121.20 120.36 2qlc s ILE 19 Ca 0.35 0.26 0.12 0.00 0.00 0.00 0.00 60.65 61.38 2qlc s ILE 19 Cb 0.20 -4.20 0.34 0.00 0.01 0.00 0.00 42.46 38.82 2qlc s ILE 19 CO 0.28 -0.56 1.85 -0.65 0.00 0.00 0.00 174.94 175.86 2qlc h PRO 20 N 8.81 0.56 -1.67 2.79 0.11 -1.97 -3.37 132.00 137.27 2qlc h PRO 20 Ca -0.25 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 2qlc h PRO 20 Cb 1.10 -0.13 -0.28 0.00 0.11 0.00 0.00 31.00 31.80 2qlc h PRO 20 CO 0.89 0.37 -0.51 0.34 -0.21 0.00 0.00 178.00 178.89 2qlc s ASP 21 N -5.68 0.18 0.61 -2.05 -1.08 -1.26 -5.05 116.67 102.34 2qlc s ASP 21 Ca -0.09 -0.21 0.33 0.00 -0.52 0.00 0.00 52.55 52.05 2qlc s ASP 21 Cb 0.23 1.20 1.94 0.00 -1.46 0.00 0.00 42.92 44.83 2qlc s ASP 21 CO 0.79 -0.34 2.28 -0.33 0.52 0.00 0.00 175.17 178.09 2qlc h GLU 22 N 8.15 0.00 0.00 4.34 5.08 -2.02 -1.03 114.58 129.10 2qlc h GLU 22 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2qlc h GLU 22 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2qlc h GLU 22 CO 0.26 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.52 2qlc n THR 23 N -3.70 0.63 -3.92 1.13 -2.24 -1.26 -4.19 114.28 100.73 2qlc n THR 23 Ca -0.03 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 2qlc n THR 23 Cb 0.08 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 2qlc n THR 23 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qlc s LYS 24 N -3.13 3.45 0.05 -0.78 -0.14 -0.39 -4.82 119.74 113.98 2qlc s LYS 24 Ca 0.10 -0.52 -0.21 0.00 -1.36 0.00 0.00 55.97 53.98 2qlc s LYS 24 Cb 0.12 -2.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.22 2qlc s LYS 24 CO 0.57 0.55 0.63 -1.21 -0.76 0.00 0.00 175.35 175.12 2qlc s GLU 25 N -2.96 4.33 0.06 1.68 2.02 -1.26 -4.71 118.70 117.85 2qlc s GLU 25 Ca 0.35 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.17 2qlc s GLU 25 Cb -0.12 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2qlc s GLU 25 CO 0.28 0.49 -0.04 -1.01 0.02 0.00 0.00 175.26 175.00 2qlc s HIS 26 N -0.66 0.58 -0.09 1.61 3.76 -1.26 -2.81 115.29 116.41 2qlc s HIS 26 Ca 0.32 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2qlc s HIS 26 Cb -0.20 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 2qlc s HIS 26 CO 0.20 -0.27 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.56 2qlc s LEU 27 N -2.62 3.06 -0.02 0.89 0.20 0.11 -3.20 118.68 117.10 2qlc s LEU 27 Ca 0.03 -0.11 0.08 0.00 0.69 0.00 0.00 54.13 54.82 2qlc s LEU 27 Cb 0.03 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 44.10 2qlc s LEU 27 CO -0.07 0.29 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.68 2qlc s PHE 28 N -0.41 2.19 -0.23 5.38 0.08 0.11 0.05 117.98 125.15 2qlc s PHE 28 Ca 0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.71 2qlc s PHE 28 Cb -0.12 -1.40 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 2qlc s PHE 28 CO 0.02 -0.03 -0.13 0.08 -0.10 0.00 0.00 175.22 175.05 2qlc s VAL 29 N -0.58 2.24 -0.19 -0.44 1.01 -0.09 -1.46 120.40 120.89 2qlc s VAL 29 Ca 0.09 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 2qlc s VAL 29 Cb -0.09 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2qlc s VAL 29 CO -0.01 0.20 0.43 -0.76 0.00 0.00 0.00 175.10 174.96 2qlc s LEU 30 N 1.20 4.17 -0.24 3.92 1.43 0.00 -0.49 118.68 128.67 2qlc s LEU 30 Ca -0.03 0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 2qlc s LEU 30 Cb -0.17 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 2qlc s LEU 30 CO -0.08 -0.08 0.34 -0.36 0.23 0.00 0.00 176.35 176.40 2qlc s PHE 31 N 1.27 3.31 -0.07 0.29 0.08 -0.20 -1.48 117.98 121.19 2qlc s PHE 31 Ca 0.21 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.72 2qlc s PHE 31 Cb -0.15 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.78 2qlc s PHE 31 CO 0.08 -0.08 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.51 2qlc s LEU 32 N 1.56 2.99 1.14 -0.37 1.43 -0.70 -0.18 118.68 124.55 2qlc s LEU 32 Ca 0.15 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 2qlc s LEU 32 Cb -0.15 -1.64 0.26 0.00 0.03 0.00 0.00 46.19 44.69 2qlc s LEU 32 CO 0.08 0.34 1.13 -0.94 0.23 0.00 0.00 176.35 177.19 2qlc s SER 33 N -0.70 1.50 0.54 2.29 1.04 0.05 -1.02 113.70 117.40 2qlc s SER 33 Ca 0.11 0.70 0.31 0.00 0.48 0.00 0.00 55.95 57.55 2qlc s SER 33 Cb -0.11 -1.01 1.54 0.00 0.10 0.00 0.00 66.02 66.53 2qlc s SER 33 CO 0.01 -3.77 2.08 0.00 0.98 0.00 0.00 173.24 172.54 2qlc h THR 34 N -2.34 0.36 -0.52 2.02 1.03 -1.94 -1.75 112.91 109.77 2qlc h THR 34 Ca -0.47 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 65.43 2qlc h THR 34 Cb 1.30 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 2qlc h THR 34 CO 0.40 0.08 0.00 0.29 -0.01 0.00 0.00 175.52 176.28 2qlc n LYS 35 N -3.41 3.66 -2.19 0.00 5.02 -1.26 -4.96 118.16 115.01 2qlc n LYS 35 Ca -0.01 -2.48 -0.17 0.00 -2.02 0.00 0.00 58.31 53.63 2qlc n LYS 35 Cb 0.24 -1.93 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.76 -4.95 -4.77 4.39 4.13 -0.66 -4.78 115.26 109.39 2qlc n ASN 36 Ca 0.22 0.05 -0.39 0.00 1.68 0.00 0.00 54.58 56.14 2qlc n ASN 36 Cb 0.87 -4.03 -0.06 0.00 -1.54 0.00 0.00 39.78 35.03 2qlc n ASN 36 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2qlc s GLN 37 N -4.62 4.36 -0.72 3.52 -0.21 -1.26 -1.05 119.66 119.67 2qlc s GLN 37 Ca 0.00 0.84 -0.26 0.00 0.02 0.00 0.00 55.36 55.96 2qlc s GLN 37 Cb 0.00 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 2qlc s GLN 37 CO 0.00 0.40 1.83 0.42 -2.12 0.00 0.00 175.29 175.82 2qlc s ILE 38 N -0.36 3.43 0.11 1.08 1.01 -1.26 -0.77 121.20 124.44 2qlc s ILE 38 Ca 0.33 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 2qlc s ILE 38 Cb -0.19 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 2qlc s ILE 38 CO 0.19 -1.03 1.59 -0.07 0.00 0.00 0.00 174.94 175.62 2qlc h LEU 39 N 16.50 -1.26 0.00 2.97 3.38 -0.92 -3.47 115.31 132.51 2qlc h LEU 39 Ca -0.13 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2qlc h LEU 39 Cb 1.10 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2qlc h LEU 39 CO 1.23 -0.48 0.14 -2.11 0.09 0.00 0.00 178.44 177.31 2qlc n ARG 40 N -5.46 0.22 -4.09 1.13 1.85 -1.23 -5.03 116.66 104.05 2qlc n ARG 40 Ca -0.07 -0.48 -0.09 0.00 -1.00 0.00 0.00 57.85 56.21 2qlc n ARG 40 Cb 0.38 0.63 -0.10 0.00 -1.05 0.00 0.00 32.46 32.31 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 -5.55 0.59 -0.05 2.89 -3.43 -1.26 -1.03 115.29 107.45 2qlc s HIS 41 Ca 0.06 -0.85 0.01 0.00 -0.80 0.00 0.00 55.06 53.48 2qlc s HIS 41 Cb -0.01 -0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 30.72 2qlc s HIS 41 CO 0.02 -0.24 -0.06 -2.00 -2.00 0.00 0.00 174.74 170.46 2qlc s GLU 42 N -3.12 2.72 -0.14 -0.38 2.12 0.35 -4.94 118.70 115.30 2qlc s GLU 42 Ca 0.02 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2qlc s GLU 42 Cb 0.01 -2.59 -0.00 0.00 0.26 0.00 0.00 34.13 31.82 2qlc s GLU 42 CO -0.05 0.65 -0.17 0.99 -0.54 0.00 0.00 175.26 176.13 2qlc s THR 43 N -0.87 2.52 -0.17 -1.70 2.01 -1.26 -0.91 115.64 115.26 2qlc s THR 43 Ca 0.14 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2qlc s THR 43 Cb -0.11 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.38 2qlc s THR 43 CO 0.03 0.53 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.66 2qlc s ILE 44 N 0.73 1.98 0.06 1.82 -1.09 0.11 -4.98 121.20 119.82 2qlc s ILE 44 Ca -0.07 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.15 2qlc s ILE 44 Cb -0.16 -1.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 2qlc s ILE 44 CO 0.01 0.53 1.02 0.28 -1.23 0.00 0.00 174.94 175.55 2qlc s THR 45 N 1.23 4.55 0.14 2.92 -1.32 -1.26 0.08 115.64 121.97 2qlc s THR 45 Ca 0.03 1.93 0.05 0.00 -1.21 0.00 0.00 61.69 62.49 2qlc s THR 45 Cb -0.13 -4.23 -0.04 0.00 -1.51 0.00 0.00 72.50 66.58 2qlc s THR 45 CO -0.11 0.21 -0.12 0.27 -2.21 0.00 0.00 174.62 172.67 2qlc s ILE 46 N 0.62 1.22 0.00 5.08 -4.36 -1.12 -4.96 121.20 117.68 2qlc s ILE 46 Ca 0.51 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 2qlc s ILE 46 Cb -0.24 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.79 2qlc s ILE 46 CO 0.29 -0.61 0.00 0.61 0.24 0.00 0.00 174.94 175.48 2qlc n GLY 47 N 0.13 1.80 0.33 6.27 0.00 -1.26 -4.71 105.19 107.75 2qlc n GLY 47 Ca -0.13 -0.67 0.21 0.00 0.00 0.00 0.00 46.02 45.43 2qlc n GLY 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qlc h THR 48 N 0.00 0.11 -0.25 2.61 1.35 -2.04 -2.94 112.91 111.74 2qlc h THR 48 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2qlc h THR 48 Cb 0.00 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2qlc h THR 48 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 2qlc n LEU 49 N -3.22 2.62 -1.62 3.87 4.32 -1.26 -4.62 117.00 117.08 2qlc n LEU 49 Ca -0.03 -1.81 0.05 0.00 -0.02 0.00 0.00 56.01 54.20 2qlc n LEU 49 Cb 0.10 -0.16 0.35 0.00 -1.62 0.00 0.00 43.42 42.08 2qlc n LEU 49 CO 0.22 0.64 0.85 0.35 -1.22 0.00 0.00 177.39 178.23 2qlc n THR 50 N 0.42 2.67 -0.25 -5.08 -2.24 -1.11 -4.69 114.28 104.00 2qlc n THR 50 Ca 0.09 -1.61 0.04 0.00 -2.27 0.00 0.00 64.05 60.30 2qlc n THR 50 Cb 0.37 -0.29 0.17 0.00 -2.10 0.00 0.00 70.33 68.49 2qlc n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qlc h ALA 51 N 3.11 1.04 0.00 6.98 0.00 -1.82 -1.20 119.26 127.37 2qlc h ALA 51 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2qlc h ALA 51 Cb 1.89 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2qlc h ALA 51 CO 0.46 -0.16 -0.31 0.66 0.00 0.00 0.00 179.25 179.90 2qlc h SER 52 N 0.49 0.00 0.43 0.00 4.64 -1.98 -1.52 113.55 115.61 2qlc h SER 52 Ca 0.39 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.59 2qlc h SER 52 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2qlc h SER 52 CO -0.36 0.31 -0.56 -0.07 -0.87 0.00 0.00 176.83 175.27 2qlc h LEU 53 N 0.00 0.15 -1.88 5.97 4.07 -1.57 -3.26 115.31 118.79 2qlc h LEU 53 Ca -0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2qlc h LEU 53 Cb 0.77 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2qlc h LEU 53 CO 0.04 0.69 0.00 2.30 -1.08 0.00 0.00 178.44 180.38 2qlc n ILE 54 N -3.89 0.16 -1.46 1.22 -5.35 -1.07 -4.66 119.36 104.31 2qlc n ILE 54 Ca -0.02 -0.58 -0.49 0.00 -0.27 0.00 0.00 62.75 61.39 2qlc n ILE 54 Cb 0.58 1.23 -0.04 0.00 -1.74 0.00 0.00 39.64 39.67 2qlc n ILE 54 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2qlc n HIS 55 N 1.04 0.10 -0.42 4.28 -0.00 -0.60 -4.71 115.22 114.92 2qlc n HIS 55 Ca 0.12 0.92 0.34 0.00 0.46 0.00 0.00 57.72 59.56 2qlc n HIS 55 Cb 0.46 -2.05 0.62 0.00 -0.12 0.00 0.00 29.99 28.91 2qlc n HIS 55 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2qlc h PRO 56 N 1.69 0.15 -0.18 1.57 0.11 -1.94 -1.06 132.00 132.35 2qlc h PRO 56 Ca -0.35 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 2qlc h PRO 56 Cb 1.42 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 2qlc h PRO 56 CO 0.60 0.10 -0.47 0.07 -0.21 0.00 0.00 178.00 178.09 2qlc h ARG 57 N 0.15 0.47 -0.27 1.05 0.11 -1.96 -1.27 114.38 112.65 2qlc h ARG 57 Ca 0.76 -0.26 -0.11 0.00 0.10 0.00 0.00 59.98 60.47 2qlc h ARG 57 Cb 2.34 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 33.43 2qlc h ARG 57 CO -0.37 0.84 -0.26 0.93 0.10 0.00 0.00 179.97 181.22 2qlc h GLU 58 N 0.38 0.66 -0.55 0.08 4.39 -1.52 -0.55 114.58 117.47 2qlc h GLU 58 Ca 0.02 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.39 2qlc h GLU 58 Cb 0.97 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 2qlc h GLU 58 CO 0.08 0.95 0.36 0.82 -1.16 0.00 0.00 179.01 180.06 2qlc h ILE 59 N 0.39 1.13 0.00 3.13 2.04 -1.35 -1.92 117.51 120.93 2qlc h ILE 59 Ca 0.05 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2qlc h ILE 59 Cb 0.82 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2qlc h ILE 59 CO 0.06 0.13 -0.65 -0.26 0.00 0.00 0.00 178.15 177.44 2qlc h PHE 60 N 0.74 0.00 -0.80 1.37 0.04 -1.19 -1.04 116.94 116.07 2qlc h PHE 60 Ca 0.21 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 2qlc h PHE 60 Cb -0.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 2qlc h PHE 60 CO -0.04 0.65 0.31 0.87 -0.60 0.00 0.00 178.31 179.50 2qlc h LYS 61 N 0.00 1.19 -0.30 1.51 1.57 -1.02 0.68 116.57 120.20 2qlc h LYS 61 Ca -0.01 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2qlc h LYS 61 Cb 1.47 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2qlc h LYS 61 CO 0.08 0.97 0.17 0.00 -0.57 0.00 0.00 179.45 180.11 2qlc h ALA 62 N 1.17 0.39 -0.71 3.86 0.00 -1.07 0.31 119.26 123.20 2qlc h ALA 62 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2qlc h ALA 62 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2qlc h ALA 62 CO -0.02 -0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.59 2qlc h ALA 63 N 1.05 0.92 -0.38 0.00 0.00 -0.88 -0.86 119.26 119.11 2qlc h ALA 63 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2qlc h ALA 63 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qlc h ALA 63 CO -0.02 0.27 0.05 0.82 0.00 0.00 0.00 179.25 180.37 2qlc h ILE 64 N 0.91 1.24 -0.56 0.00 2.04 0.64 -1.80 117.51 119.98 2qlc h ILE 64 Ca 0.28 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2qlc h ILE 64 Cb -0.04 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2qlc h ILE 64 CO -0.09 0.30 0.37 -0.09 0.00 0.00 0.00 178.15 178.64 2qlc h ARG 65 N 0.48 0.73 -0.13 2.37 2.43 0.00 -2.05 114.38 118.22 2qlc h ARG 65 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2qlc h ARG 65 Cb 0.38 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2qlc h ARG 65 CO 0.01 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 179.35 2qlc n GLU 66 N -4.45 1.58 -2.69 0.20 -0.58 -0.36 -4.92 120.64 109.42 2qlc n GLU 66 Ca 0.05 -0.87 -0.17 0.00 -0.42 0.00 0.00 57.16 55.75 2qlc n GLU 66 Cb 0.05 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 0.10 -4.44 -4.75 1.62 7.64 -0.77 -4.91 113.62 108.10 2qlc n SER 67 Ca 0.16 -0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.62 2qlc n SER 67 Cb 0.28 -3.71 -0.03 0.00 -1.01 0.00 0.00 64.21 59.74 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 -2.81 3.48 -0.00 -0.43 0.00 -0.70 -4.95 121.76 116.34 2qlc s ALA 68 Ca 0.12 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 2qlc s ALA 68 Cb -0.06 -3.44 -0.28 0.00 0.00 0.00 0.00 23.12 19.34 2qlc s ALA 68 CO 0.14 -0.46 1.02 1.25 0.00 0.00 0.00 175.76 177.71 2qlc h HIS 69 N 4.78 0.69 -3.94 0.00 2.76 -1.35 -3.46 115.15 114.62 2qlc h HIS 69 Ca -0.46 -0.44 -0.32 0.00 -2.20 0.00 0.00 60.37 56.95 2qlc h HIS 69 Cb 1.22 -0.05 -0.09 0.00 1.55 0.00 0.00 27.41 30.04 2qlc h HIS 69 CO 0.61 1.30 -0.32 -1.13 -1.30 0.00 0.00 177.93 177.09 2qlc n SER 70 N -4.07 -0.49 -4.09 3.26 3.41 -1.08 -3.88 113.62 106.68 2qlc n SER 70 Ca -0.13 -2.49 -0.08 0.00 -0.26 0.00 0.00 58.87 55.91 2qlc n SER 70 Cb 0.81 1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 65.81 2qlc n SER 70 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2qlc s ILE 71 N -2.92 0.17 -0.04 -1.33 -4.36 -0.50 -1.71 121.20 110.50 2qlc s ILE 71 Ca 0.27 -1.79 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 2qlc s ILE 71 Cb 0.01 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 42.03 2qlc s ILE 71 CO 0.19 -0.75 -0.07 -0.63 0.24 0.00 0.00 174.94 173.91 2qlc s ILE 72 N -3.96 0.73 -0.04 8.37 1.01 -0.55 -0.70 121.20 126.06 2qlc s ILE 72 Ca 0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2qlc s ILE 72 Cb 0.07 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 2qlc s ILE 72 CO -0.05 0.26 0.39 -0.22 0.00 0.00 0.00 174.94 175.31 2qlc s LEU 73 N 0.64 4.42 -0.02 2.97 2.96 -0.71 -0.82 118.68 128.13 2qlc s LEU 73 Ca -0.10 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2qlc s LEU 73 Cb -0.13 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.02 2qlc s LEU 73 CO 0.01 0.26 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.57 2qlc s VAL 74 N -0.65 0.37 0.03 1.68 1.01 -0.53 -0.44 120.40 121.87 2qlc s VAL 74 Ca 0.23 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.14 2qlc s VAL 74 Cb -0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2qlc s VAL 74 CO 0.11 0.14 -0.16 -1.00 0.00 0.00 0.00 175.10 174.20 2qlc s HIS 75 N 0.35 2.62 -0.03 5.22 3.76 -1.01 0.10 115.29 126.29 2qlc s HIS 75 Ca -0.04 -0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 2qlc s HIS 75 Cb -0.07 -1.49 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 2qlc s HIS 75 CO -0.00 0.27 0.29 0.54 -0.85 0.00 0.00 174.74 174.99 2qlc s ASN 76 N -1.42 6.60 -0.42 1.40 4.22 -1.20 -0.97 114.94 123.15 2qlc s ASN 76 Ca 0.15 0.71 -0.06 0.00 -2.14 0.00 0.00 52.86 51.52 2qlc s ASN 76 Cb -0.11 -2.15 0.10 0.00 1.28 0.00 0.00 41.25 40.37 2qlc s ASN 76 CO 0.06 0.33 0.24 -1.00 -2.04 0.00 0.00 177.10 174.68 2qlc s HIS 77 N -1.13 3.46 0.18 1.54 3.76 0.16 -4.39 115.29 118.87 2qlc s HIS 77 Ca 0.22 -2.03 -0.14 0.00 -0.15 0.00 0.00 55.06 52.96 2qlc s HIS 77 Cb -0.14 -3.16 0.16 0.00 1.11 0.00 0.00 32.58 30.55 2qlc s HIS 77 CO 0.11 -0.94 1.71 -1.35 -0.85 0.00 0.00 174.74 173.42 2qlc h PRO 78 N 8.24 0.17 -0.63 8.40 0.11 -1.84 -2.18 132.00 144.27 2qlc h PRO 78 Ca -0.18 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.08 2qlc h PRO 78 Cb 1.06 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2qlc h PRO 78 CO 0.74 0.11 0.44 0.77 -0.21 0.00 0.00 178.00 179.86 2qlc h SER 79 N 0.18 0.11 0.00 -2.05 0.02 -1.91 -3.47 113.55 106.42 2qlc h SER 79 Ca 0.23 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2qlc h SER 79 Cb 0.32 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2qlc h SER 79 CO -0.34 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.02 2qlc n GLY 80 N -1.62 0.66 3.76 -3.77 0.00 -0.82 -4.99 105.19 98.41 2qlc n GLY 80 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 6.43 -0.22 1.61 2.15 -1.26 -3.91 116.67 119.55 2qlc s ASP 81 Ca 0.00 0.51 0.15 0.00 0.43 0.00 0.00 52.55 53.63 2qlc s ASP 81 Cb 0.00 -2.16 0.81 0.00 -0.30 0.00 0.00 42.92 41.27 2qlc s ASP 81 CO 0.00 0.18 1.74 1.33 -0.17 0.00 0.00 175.17 178.24 2qlc n VAL 82 N 3.18 2.64 -3.23 1.11 0.24 -1.26 -4.85 118.33 116.15 2qlc n VAL 82 Ca -0.14 -1.37 -0.39 0.00 -2.04 0.00 0.00 64.34 60.40 2qlc n VAL 82 Cb 0.52 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 2qlc n VAL 82 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2qlc s GLN 83 N -2.64 4.22 0.34 7.34 2.00 -1.26 -4.24 119.66 125.42 2qlc s GLN 83 Ca 0.54 0.46 -0.28 0.00 -2.00 0.00 0.00 55.36 54.08 2qlc s GLN 83 Cb 0.41 -3.54 -0.09 0.00 0.80 0.00 0.00 33.01 30.58 2qlc s GLN 83 CO 0.17 -0.11 1.20 -1.25 -0.50 0.00 0.00 175.29 174.80 2qlc s PRO 84 N 1.49 4.35 0.99 1.67 0.04 -1.26 -5.05 135.00 137.22 2qlc s PRO 84 Ca 0.25 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 2qlc s PRO 84 Cb -0.15 -2.99 0.24 0.00 0.04 0.00 0.00 34.50 31.64 2qlc s PRO 84 CO 0.10 -0.10 0.90 -1.13 0.04 0.00 0.00 177.00 176.81 2qlc n SER 85 N 0.70 -1.76 0.11 6.66 3.41 -1.26 -4.89 113.62 116.60 2qlc n SER 85 Ca 0.01 -1.07 -0.19 0.00 -0.26 0.00 0.00 58.87 57.36 2qlc n SER 85 Cb 0.44 -0.82 -0.13 0.00 -0.26 0.00 0.00 64.21 63.44 2qlc n SER 85 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2qlc h ASN 86 N -2.34 0.65 -0.73 4.04 2.35 -1.99 -2.80 115.58 114.75 2qlc h ASN 86 Ca -0.34 -0.65 0.10 0.00 -0.55 0.00 0.00 56.30 54.86 2qlc h ASN 86 Cb 1.02 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 39.10 2qlc h ASN 86 CO 0.22 1.49 0.37 0.00 -1.65 0.00 0.00 177.43 177.86 2qlc h ALA 87 N 0.42 1.03 -0.46 -0.83 0.00 -1.99 -0.68 119.26 116.74 2qlc h ALA 87 Ca -0.17 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2qlc h ALA 87 Cb 1.97 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 2qlc h ALA 87 CO 0.23 -0.04 0.20 -0.44 0.00 0.00 0.00 179.25 179.20 2qlc h ASP 88 N 0.61 0.27 -0.94 0.00 3.32 -1.90 -1.70 116.42 116.08 2qlc h ASP 88 Ca 0.37 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.46 2qlc h ASP 88 Cb 0.40 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 2qlc h ASP 88 CO -0.28 0.19 0.62 0.11 -1.72 0.00 0.00 179.24 178.16 2qlc h LYS 89 N 0.41 1.24 -0.19 3.56 1.57 -1.14 -2.37 116.57 119.65 2qlc h LYS 89 Ca 0.21 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2qlc h LYS 89 Cb 0.16 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2qlc h LYS 89 CO -0.18 0.82 0.05 1.96 -0.57 0.00 0.00 179.45 181.54 2qlc h GLN 90 N 1.28 0.30 -0.09 3.15 1.08 -0.68 -2.70 115.11 117.44 2qlc h GLN 90 Ca 0.35 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2qlc h GLN 90 Cb -0.15 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.19 2qlc h GLN 90 CO -0.07 0.42 -0.25 0.28 -0.95 0.00 0.00 178.83 178.25 2qlc h VAL 91 N 0.12 0.41 -0.67 -0.54 2.07 -1.20 -2.03 116.25 114.42 2qlc h VAL 91 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2qlc h VAL 91 Cb 0.25 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2qlc h VAL 91 CO -0.00 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.87 2qlc h THR 92 N -0.34 1.23 -0.26 2.57 1.03 -1.40 -0.52 112.91 115.22 2qlc h THR 92 Ca 0.09 -0.70 -0.18 0.00 -0.01 0.00 0.00 66.41 65.60 2qlc h THR 92 Cb 0.47 0.41 -0.00 0.00 -1.07 0.00 0.00 68.15 67.96 2qlc h THR 92 CO -0.28 0.29 -0.57 0.77 -0.01 0.00 0.00 175.52 175.72 2qlc h SER 93 N 0.97 0.91 -0.97 0.00 4.64 -1.35 0.73 113.55 118.48 2qlc h SER 93 Ca 0.23 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2qlc h SER 93 Cb 0.17 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 2qlc h SER 93 CO -0.02 1.28 0.61 0.40 -0.87 0.00 0.00 176.83 178.23 2qlc h ILE 94 N 0.62 1.26 -0.30 0.95 2.04 -1.03 -0.93 117.51 120.11 2qlc h ILE 94 Ca 0.01 -0.51 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 2qlc h ILE 94 Cb 1.16 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2qlc h ILE 94 CO 0.12 0.26 -0.32 0.25 0.00 0.00 0.00 178.15 178.45 2qlc h LEU 95 N 1.32 0.81 -0.47 1.44 5.85 -0.88 -2.02 115.31 121.36 2qlc h LEU 95 Ca 0.35 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2qlc h LEU 95 Cb -0.11 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 2qlc h LEU 95 CO -0.07 1.12 0.28 0.50 -0.34 0.00 0.00 178.44 179.93 2qlc h LYS 96 N 0.51 0.64 -0.84 1.25 3.11 -0.63 -0.70 116.57 119.91 2qlc h LYS 96 Ca 0.04 -0.06 0.08 0.00 -2.81 0.00 0.00 60.65 57.90 2qlc h LYS 96 Cb 0.90 -0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 31.94 2qlc h LYS 96 CO 0.08 0.48 0.50 -0.22 -2.81 0.00 0.00 179.45 177.48 2qlc h LYS 97 N 0.62 0.86 -0.21 1.90 1.63 -1.07 -1.30 116.57 119.00 2qlc h LYS 97 Ca 0.17 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.79 2qlc h LYS 97 Cb 0.01 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 2qlc h LYS 97 CO -0.03 0.57 -0.42 0.00 -3.45 0.00 0.00 179.45 176.12 2qlc h ALA 98 N 1.43 0.89 -0.48 5.00 0.00 -0.84 -2.92 119.26 122.34 2qlc h ALA 98 Ca 0.38 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2qlc h ALA 98 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qlc h ALA 98 CO -0.21 0.64 -0.04 0.78 0.00 0.00 0.00 179.25 180.42 2qlc h GLY 99 N 1.09 0.89 0.72 0.00 0.00 -0.48 -2.49 103.07 102.81 2qlc h GLY 99 Ca 0.03 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.76 2qlc h GLY 99 CO 0.08 0.58 0.03 -0.55 0.00 0.00 0.00 176.54 176.68 2qlc h ASP 100 N 0.76 -0.01 -0.51 0.19 3.32 -1.21 0.12 116.42 119.08 2qlc h ASP 100 Ca 0.14 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.33 2qlc h ASP 100 Cb 0.52 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 2qlc h ASP 100 CO 0.03 0.02 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.44 2qlc h LEU 101 N 0.12 -0.34 -0.12 1.55 4.07 -1.29 -2.45 115.31 116.85 2qlc h LEU 101 Ca 0.10 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2qlc h LEU 101 Cb 0.11 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2qlc h LEU 101 CO -0.15 -0.12 -0.12 0.18 -1.08 0.00 0.00 178.44 177.15 2qlc n LEU 102 N -5.30 0.31 -3.66 1.67 4.32 -0.96 -4.91 117.00 108.47 2qlc n LEU 102 Ca 0.05 0.15 -0.26 0.00 -0.02 0.00 0.00 56.01 55.93 2qlc n LEU 102 Cb 0.28 -0.27 0.05 0.00 -1.62 0.00 0.00 43.42 41.85 2qlc n LEU 102 CO 0.13 0.06 0.15 0.00 -1.22 0.00 0.00 177.39 176.51 2qlc n GLN 103 N -1.19 -6.44 -4.01 3.23 6.02 0.03 -5.00 117.38 110.02 2qlc n GLN 103 Ca 0.12 0.72 -0.31 0.00 -0.01 0.00 0.00 57.00 57.52 2qlc n GLN 103 Cb 0.29 -5.68 -0.15 0.00 1.02 0.00 0.00 30.24 25.72 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 -3.28 1.97 0.13 5.09 1.01 0.19 -4.99 121.20 121.33 2qlc s ILE 104 Ca 0.59 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.23 2qlc s ILE 104 Cb -0.28 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 2qlc s ILE 104 CO 0.72 -0.23 1.04 -0.70 0.00 0.00 0.00 174.94 175.77 2qlc s GLU 105 N 1.15 4.63 -0.62 2.79 2.12 -1.25 -4.25 118.70 123.26 2qlc s GLU 105 Ca -0.02 1.58 -0.28 0.00 0.36 0.00 0.00 54.97 56.61 2qlc s GLU 105 Cb -0.19 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 30.89 2qlc s GLU 105 CO -0.07 0.11 1.24 -1.17 -0.54 0.00 0.00 175.26 174.82 2qlc s LEU 106 N -0.01 3.36 0.09 2.70 2.96 -1.26 -1.41 118.68 125.11 2qlc s LEU 106 Ca 0.49 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2qlc s LEU 106 Cb -0.26 -2.99 -0.25 0.00 0.50 0.00 0.00 46.19 43.19 2qlc s LEU 106 CO 0.32 -1.60 1.18 0.25 -1.32 0.00 0.00 176.35 175.17 2qlc h LEU 107 N 12.34 0.24 -7.22 -0.68 5.85 -1.29 -3.48 115.31 121.07 2qlc h LEU 107 Ca -0.26 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.29 2qlc h LEU 107 Cb 1.06 -0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.89 2qlc h LEU 107 CO 1.21 1.21 0.41 -0.62 -0.34 0.00 0.00 178.44 180.31 2qlc s ASP 108 N -6.94 -0.36 -0.15 1.25 2.15 -1.25 -4.79 116.67 106.58 2qlc s ASP 108 Ca -0.02 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.83 2qlc s ASP 108 Cb 0.08 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 2qlc s ASP 108 CO 0.86 -0.81 -0.17 -2.28 -0.17 0.00 0.00 175.17 172.59 2qlc s HIS 109 N -3.35 2.39 -0.15 -5.34 5.65 -1.26 -1.73 115.29 111.49 2qlc s HIS 109 Ca 0.06 -1.32 -0.00 0.00 0.25 0.00 0.00 55.06 54.05 2qlc s HIS 109 Cb -0.01 -1.70 -0.01 0.00 -1.18 0.00 0.00 32.58 29.68 2qlc s HIS 109 CO -0.06 -0.68 -0.13 0.08 -0.65 0.00 0.00 174.74 173.30 2qlc s VAL 110 N 1.26 2.89 -0.10 0.89 1.01 0.41 -1.07 120.40 125.70 2qlc s VAL 110 Ca 0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 2qlc s VAL 110 Cb -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2qlc s VAL 110 CO -0.09 0.51 0.29 -0.63 0.00 0.00 0.00 175.10 175.19 2qlc s ILE 111 N 0.68 5.27 0.08 2.22 1.01 -0.36 -2.42 121.20 127.68 2qlc s ILE 111 Ca -0.07 0.56 0.08 0.00 0.00 0.00 0.00 60.65 61.22 2qlc s ILE 111 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2qlc s ILE 111 CO 0.02 0.50 -0.20 0.68 0.00 0.00 0.00 174.94 175.94 2qlc s VAL 112 N -0.35 1.66 0.00 2.92 -7.23 -0.15 -1.11 120.40 116.13 2qlc s VAL 112 Ca 0.18 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2qlc s VAL 112 Cb -0.14 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2qlc s VAL 112 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 2qlc n GLY 113 N 1.31 2.16 0.00 2.32 0.00 -0.84 0.38 105.19 110.52 2qlc n GLY 113 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2qlc n GLY 113 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qlc n ASN 114 N 0.00 0.00 -2.70 1.61 5.15 -1.25 -4.47 115.26 113.60 2qlc n ASN 114 Ca 0.00 0.53 -0.07 0.00 -0.60 0.00 0.00 54.58 54.44 2qlc n ASN 114 Cb 0.00 -0.03 0.05 0.00 -0.53 0.00 0.00 39.78 39.27 2qlc n ASN 114 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2qlc n ASN 115 N -0.65 1.03 -3.72 1.20 5.15 -1.26 -5.09 115.26 111.92 2qlc n ASN 115 Ca 0.00 -2.52 -0.12 0.00 -0.60 0.00 0.00 54.58 51.34 2qlc n ASN 115 Cb 0.00 -0.32 -0.11 0.00 -0.53 0.00 0.00 39.78 38.82 2qlc n ASN 115 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2qlc s ASP 116 N -3.00 -0.43 0.12 1.20 2.15 -1.26 -5.15 116.67 110.29 2qlc s ASP 116 Ca 0.26 0.80 0.06 0.00 0.43 0.00 0.00 52.55 54.10 2qlc s ASP 116 Cb 0.42 0.75 -0.04 0.00 -0.30 0.00 0.00 42.92 43.76 2qlc s ASP 116 CO 0.00 -0.16 -0.15 -1.66 -0.17 0.00 0.00 175.17 173.04 2qlc s TRP 117 N 0.72 1.45 -0.07 -5.34 1.48 -1.26 -1.99 118.94 113.93 2qlc s TRP 117 Ca -0.04 -0.54 0.03 0.00 -1.06 0.00 0.00 56.10 54.49 2qlc s TRP 117 Cb -0.05 -0.76 0.01 0.00 -1.16 0.00 0.00 33.47 31.50 2qlc s TRP 117 CO -0.05 0.16 -0.17 0.12 -4.06 0.00 0.00 176.95 172.95 2qlc s PHE 118 N -2.07 1.84 -0.30 1.66 5.36 -0.27 -4.98 117.98 119.23 2qlc s PHE 118 Ca 0.09 -0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 55.36 2qlc s PHE 118 Cb -0.05 -1.28 0.04 0.00 -0.34 0.00 0.00 43.02 41.39 2qlc s PHE 118 CO 0.03 -0.29 0.01 0.45 -1.46 0.00 0.00 175.22 173.96 2qlc s SER 119 N 0.41 4.88 0.17 6.13 0.15 -1.26 -1.23 113.70 122.96 2qlc s SER 119 Ca -0.13 -1.20 -0.16 0.00 0.70 0.00 0.00 55.95 55.17 2qlc s SER 119 Cb -0.15 -1.73 0.12 0.00 -1.71 0.00 0.00 66.02 62.55 2qlc s SER 119 CO 0.05 -0.25 1.69 -0.26 1.20 0.00 0.00 173.24 175.67 2qlc h PHE 120 N 8.03 -0.03 -0.96 3.44 -1.00 -1.49 -1.00 116.94 123.92 2qlc h PHE 120 Ca -0.23 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.66 2qlc h PHE 120 Cb 1.07 0.08 -0.07 0.00 3.61 0.00 0.00 35.95 40.64 2qlc h PHE 120 CO 0.61 -0.09 0.62 -0.09 -1.61 0.00 0.00 178.31 177.75 2qlc h ARG 121 N 0.10 1.05 0.00 1.51 2.43 -1.87 -0.96 114.38 116.65 2qlc h ARG 121 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2qlc h ARG 121 Cb 0.29 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2qlc h ARG 121 CO -0.35 0.70 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.35 2qlc h ASP 122 N 1.08 0.00 -0.80 -3.80 3.45 -1.62 -2.90 116.42 111.83 2qlc h ASP 122 Ca 0.42 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.50 2qlc h ASP 122 Cb 0.23 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 38.77 2qlc h ASP 122 CO -0.17 0.02 0.48 1.41 -1.57 0.00 0.00 179.24 179.41 2qlc n HIS 123 N -3.11 2.52 -2.28 4.55 8.25 -0.50 -4.92 115.22 119.74 2qlc n HIS 123 Ca 0.02 -1.50 -0.05 0.00 -0.26 0.00 0.00 57.72 55.94 2qlc n HIS 123 Cb 0.43 -0.79 -0.00 0.00 1.12 0.00 0.00 29.99 30.75 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 -0.69 -0.79 1.43 -1.41 0.00 -1.08 -5.01 120.51 112.95 2qlc n ALA 124 Ca 0.47 0.04 0.14 0.00 0.00 0.00 0.00 53.44 54.09 2qlc n ALA 124 Cb 1.45 -0.83 0.47 0.00 0.00 0.00 0.00 19.45 20.53 2qlc n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78