#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qji s ALA 2 N 0.00 3.12 0.54 0.00 0.00 0.54 -1.33 121.76 124.62 1qji s ALA 2 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 1qji s ALA 2 Cb 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1qji s ALA 2 CO 0.00 0.43 1.37 -1.50 0.00 0.00 0.00 175.76 176.06 1qji s ILE 3 N -1.85 2.04 0.17 0.00 2.07 -0.00 -1.18 121.20 122.45 1qji s ILE 3 Ca 0.27 0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 59.34 1qji s ILE 3 Cb -0.08 -3.02 -0.08 0.00 0.13 0.00 0.00 42.46 39.41 1qji s ILE 3 CO 0.18 0.00 0.69 -0.76 -1.91 0.00 0.00 174.94 173.14 1qji s LEU 4 N -3.44 4.46 0.00 8.50 1.43 -1.26 -4.69 118.68 123.69 1qji s LEU 4 Ca 0.70 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1qji s LEU 4 Cb -0.41 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1qji s LEU 4 CO 0.49 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.83 1qji n GLY 5 N 1.21 -0.08 0.24 -3.19 0.00 -1.26 -4.80 105.19 97.31 1qji n GLY 5 Ca -0.05 -0.90 0.16 0.00 0.00 0.00 0.00 46.02 45.23 1qji n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qji h ASP 6 N 0.00 0.00 0.43 1.61 3.32 -1.99 -1.84 116.42 117.95 1qji h ASP 6 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qji h ASP 6 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qji h ASP 6 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 1qji n GLU 7 N -2.66 0.10 -0.34 3.56 4.71 -1.26 -1.79 120.64 122.95 1qji n GLU 7 Ca -0.01 0.42 0.12 0.00 -0.01 0.00 0.00 57.16 57.67 1qji n GLU 7 Cb 0.11 -1.72 0.30 0.00 -1.01 0.00 0.00 31.44 29.12 1qji n GLU 7 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1qji n TYR 8 N -1.90 0.88 -3.47 -0.32 4.01 -0.69 -4.87 117.16 110.79 1qji n TYR 8 Ca 0.02 -0.44 -0.37 0.00 -0.16 0.00 0.00 57.90 56.95 1qji n TYR 8 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 1qji n TYR 8 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qji s LEU 9 N -1.09 4.42 0.05 7.72 1.43 -0.74 -0.23 118.68 130.23 1qji s LEU 9 Ca 0.47 0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 54.23 1qji s LEU 9 Cb 0.25 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1qji s LEU 9 CO 0.33 0.23 1.43 0.26 0.23 0.00 0.00 176.35 178.83 1qji s TRP 10 N -1.26 2.92 0.06 0.29 0.52 -1.26 -4.82 118.94 115.39 1qji s TRP 10 Ca 0.30 0.79 -0.33 0.00 0.02 0.00 0.00 56.10 56.88 1qji s TRP 10 Cb -0.16 -3.71 -0.12 0.00 -1.15 0.00 0.00 33.47 28.33 1qji s TRP 10 CO 0.16 -2.62 1.79 0.45 0.02 0.00 0.00 176.95 176.75 1qji n SER 11 N 4.94 3.59 0.00 2.95 2.88 -1.26 -1.16 113.62 125.55 1qji n SER 11 Ca 0.13 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1qji n SER 11 Cb 0.43 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1qji n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qji n GLY 12 N 4.07 0.30 2.28 0.46 0.00 -1.26 -2.13 105.19 108.92 1qji n GLY 12 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1qji n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qji n GLY 13 N -1.19 0.86 3.68 -0.02 0.00 -0.31 -4.58 105.19 103.63 1qji n GLY 13 Ca 0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1qji n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qji s VAL 14 N -2.14 5.31 -0.30 1.61 1.01 -0.90 -1.31 120.40 123.66 1qji s VAL 14 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1qji s VAL 14 Cb 0.00 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.88 1qji s VAL 14 CO 0.00 0.33 -0.00 -0.63 0.00 0.00 0.00 175.10 174.80 1qji s ILE 15 N 0.98 2.03 0.21 2.22 1.01 -0.05 -4.40 121.20 123.21 1qji s ILE 15 Ca 0.12 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.54 1qji s ILE 15 Cb -0.14 -2.38 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 1qji s ILE 15 CO 0.05 -0.40 1.08 -2.84 0.00 0.00 0.00 174.94 172.83 1qji s PRO 16 N 1.08 4.64 0.17 2.79 0.02 -1.25 -2.00 135.00 140.45 1qji s PRO 16 Ca 0.04 1.71 -0.00 0.00 0.02 0.00 0.00 61.00 62.76 1qji s PRO 16 Cb -0.19 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 1qji s PRO 16 CO -0.09 0.17 0.07 1.52 -0.33 0.00 0.00 177.00 178.34 1qji s TYR 17 N -0.61 1.08 0.03 6.54 1.13 -0.24 -0.99 117.35 124.28 1qji s TYR 17 Ca 0.47 -1.22 -0.08 0.00 -1.41 0.00 0.00 57.07 54.83 1qji s TYR 17 Cb -0.30 -0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 39.98 1qji s TYR 17 CO 0.36 -0.47 0.15 0.95 -2.51 0.00 0.00 175.55 174.04 1qji s THR 18 N -3.97 0.11 -0.22 -3.49 -4.23 -0.39 -0.56 115.64 102.89 1qji s THR 18 Ca 0.29 -0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1qji s THR 18 Cb 0.07 -0.77 -0.01 0.00 1.34 0.00 0.00 72.50 73.13 1qji s THR 18 CO 0.06 -0.49 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.27 1qji s PHE 19 N -2.22 2.98 -0.45 3.99 0.08 -1.26 -0.38 117.98 120.72 1qji s PHE 19 Ca -0.08 -0.83 -0.11 0.00 0.12 0.00 0.00 56.93 56.03 1qji s PHE 19 Cb -0.03 -2.12 0.09 0.00 -0.57 0.00 0.00 43.02 40.38 1qji s PHE 19 CO -0.02 -0.50 0.32 0.00 -0.10 0.00 0.00 175.22 174.92 1qji s ALA 20 N 1.47 3.39 -1.14 5.36 0.00 0.31 -4.61 121.76 126.54 1qji s ALA 20 Ca 0.06 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1qji s ALA 20 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1qji s ALA 20 CO -0.02 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1qji n GLY 21 N 5.00 0.38 3.73 0.00 0.00 -1.26 -4.47 105.19 108.57 1qji n GLY 21 Ca -0.10 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1qji n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qji s VAL 22 N -2.56 5.17 0.78 1.61 1.01 -1.26 -4.80 120.40 120.35 1qji s VAL 22 Ca 0.00 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 1qji s VAL 22 Cb 0.00 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1qji s VAL 22 CO 0.00 0.34 1.09 -0.94 0.00 0.00 0.00 175.10 175.59 1qji s SER 23 N 0.51 4.44 0.11 3.32 1.04 -1.26 -4.76 113.70 117.10 1qji s SER 23 Ca 0.26 1.80 -0.28 0.00 0.48 0.00 0.00 55.95 58.21 1qji s SER 23 Cb -0.15 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 1qji s SER 23 CO 0.11 -2.07 1.63 1.23 0.98 0.00 0.00 173.24 175.11 1qji h GLY 24 N -1.16 -0.55 -0.23 7.32 0.00 -1.99 0.99 103.07 107.45 1qji h GLY 24 Ca -0.44 0.33 0.15 0.00 0.00 0.00 0.00 47.33 47.36 1qji h GLY 24 CO 0.52 -0.24 -0.03 0.00 0.00 0.00 0.00 176.54 176.78 1qji h ALA 25 N 0.16 0.63 -0.55 3.60 0.00 -2.00 0.39 119.26 121.50 1qji h ALA 25 Ca 0.02 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1qji h ALA 25 Cb 0.53 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1qji h ALA 25 CO -0.14 -0.41 -0.02 -0.44 0.00 0.00 0.00 179.25 178.24 1qji h ASP 26 N 0.08 0.95 -0.29 0.00 3.32 -1.60 -2.22 116.42 116.66 1qji h ASP 26 Ca 0.35 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1qji h ASP 26 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1qji h ASP 26 CO -0.61 1.02 0.15 1.56 -1.72 0.00 0.00 179.24 179.64 1qji h GLN 27 N 0.89 0.41 -0.90 3.56 4.20 0.98 -0.34 115.11 123.90 1qji h GLN 27 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1qji h GLN 27 Cb 0.55 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1qji h GLN 27 CO 0.03 0.37 0.53 0.77 -0.67 0.00 0.00 178.83 179.86 1qji h SER 28 N 0.34 1.09 -0.44 1.46 0.02 -0.87 0.11 113.55 115.27 1qji h SER 28 Ca 0.10 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1qji h SER 28 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1qji h SER 28 CO -0.01 0.85 0.14 0.00 -1.14 0.00 0.00 176.83 176.67 1qji h ALA 29 N 1.34 0.57 -0.72 3.77 0.00 -0.97 -2.13 119.26 121.11 1qji h ALA 29 Ca 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1qji h ALA 29 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1qji h ALA 29 CO -0.06 0.21 0.20 0.82 0.00 0.00 0.00 179.25 180.42 1qji h ILE 30 N 0.57 1.26 -0.14 0.00 2.04 -0.41 -2.64 117.51 118.19 1qji h ILE 30 Ca 0.14 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1qji h ILE 30 Cb 0.25 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1qji h ILE 30 CO -0.01 0.37 -0.15 -0.07 0.00 0.00 0.00 178.15 178.29 1qji h LEU 31 N 1.08 0.22 -1.06 1.44 3.38 -0.57 -0.98 115.31 118.82 1qji h LEU 31 Ca 0.23 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1qji h LEU 31 Cb 0.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1qji h LEU 31 CO -0.00 0.39 -0.40 0.28 0.09 0.00 0.00 178.44 178.80 1qji h SER 32 N 0.22 0.15 -0.42 -0.43 0.02 -1.05 0.24 113.55 112.27 1qji h SER 32 Ca 0.04 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1qji h SER 32 Cb 0.40 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1qji h SER 32 CO 0.02 0.53 -0.22 1.23 -1.14 0.00 0.00 176.83 177.25 1qji h GLY 33 N 1.21 0.96 1.37 -3.77 0.00 -0.91 -2.52 103.07 99.40 1qji h GLY 33 Ca 0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 47.33 46.35 1qji h GLY 33 CO 0.06 0.80 -0.22 -0.33 0.00 0.00 0.00 176.54 176.84 1qji h MET 34 N 0.71 0.73 -0.14 4.80 2.07 -0.83 -3.03 114.93 119.24 1qji h MET 34 Ca 0.09 -0.29 0.00 0.00 -2.07 0.00 0.00 59.70 57.43 1qji h MET 34 Cb 0.79 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 1qji h MET 34 CO 0.07 0.89 0.08 0.37 1.07 0.00 0.00 176.91 179.39 1qji h GLN 35 N 0.64 0.17 -0.75 1.72 4.15 -0.32 -1.59 115.11 119.12 1qji h GLN 35 Ca 0.09 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.54 1qji h GLN 35 Cb 0.72 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 1qji h GLN 35 CO 0.06 0.11 0.50 1.49 -1.93 0.00 0.00 178.83 179.05 1qji h GLU 36 N 0.17 0.88 -0.34 1.69 4.81 -1.44 -0.82 114.58 119.54 1qji h GLU 36 Ca 0.05 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1qji h GLU 36 Cb -0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1qji h GLU 36 CO -0.02 0.58 0.14 -0.07 -0.73 0.00 0.00 179.01 178.92 1qji h LEU 37 N 0.91 0.46 -0.71 1.64 3.38 -1.24 -2.35 115.31 117.40 1qji h LEU 37 Ca 0.30 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1qji h LEU 37 Cb 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1qji h LEU 37 CO -0.09 0.49 -0.54 -0.33 0.09 0.00 0.00 178.44 178.05 1qji h GLU 38 N 0.40 0.28 -0.60 1.13 5.08 -0.86 0.26 114.58 120.27 1qji h GLU 38 Ca 0.11 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1qji h GLU 38 Cb 0.17 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1qji h GLU 38 CO -0.01 0.75 0.03 0.93 -1.00 0.00 0.00 179.01 179.71 1qji h GLU 39 N 0.22 1.04 0.00 2.33 5.08 -1.08 -3.24 114.58 118.93 1qji h GLU 39 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1qji h GLU 39 Cb 1.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1qji h GLU 39 CO 0.09 1.01 -1.03 1.63 -1.00 0.00 0.00 179.01 179.71 1qji n LYS 40 N -4.23 0.19 -4.19 2.33 5.02 -0.89 -4.98 118.16 111.41 1qji n LYS 40 Ca 0.03 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1qji n LYS 40 Cb 0.33 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 1qji n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qji s THR 41 N -3.13 0.30 -1.16 -0.18 -4.23 0.91 -4.84 115.64 103.30 1qji s THR 41 Ca 0.05 -1.94 0.18 0.00 -1.18 0.00 0.00 61.69 58.80 1qji s THR 41 Cb 0.15 -2.13 0.22 0.00 1.34 0.00 0.00 72.50 72.09 1qji s THR 41 CO 0.82 -0.42 1.58 0.00 -0.54 0.00 0.00 174.62 176.06 1qji s ILE 43 N -2.84 2.46 -0.01 0.00 -1.09 -1.26 -4.89 121.20 113.57 1qji s ILE 43 Ca 0.12 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1qji s ILE 43 Cb 0.12 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1qji s ILE 43 CO 0.31 0.11 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.89 1qji s ARG 44 N -1.80 0.97 -0.24 2.79 1.81 -0.43 -4.20 118.95 117.85 1qji s ARG 44 Ca 0.51 -0.41 -0.05 0.00 -1.72 0.00 0.00 55.73 54.06 1qji s ARG 44 Cb -0.42 -0.93 -0.01 0.00 -0.45 0.00 0.00 34.95 33.13 1qji s ARG 44 CO 0.56 0.23 0.01 -0.06 -0.68 0.00 0.00 175.30 175.37 1qji s PHE 45 N -0.21 3.02 -0.01 -0.53 0.08 -1.26 -0.87 117.98 118.20 1qji s PHE 45 Ca 0.03 -0.76 0.06 0.00 0.12 0.00 0.00 56.93 56.39 1qji s PHE 45 Cb -0.05 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1qji s PHE 45 CO -0.00 -0.48 -0.21 0.14 -0.10 0.00 0.00 175.22 174.57 1qji s VAL 46 N 1.53 1.65 0.11 -0.44 -7.23 -0.85 -4.98 120.40 110.20 1qji s VAL 46 Ca 0.06 -0.91 -0.31 0.00 -1.81 0.00 0.00 61.98 59.01 1qji s VAL 46 Cb -0.15 -1.37 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 1qji s VAL 46 CO -0.00 0.45 1.85 -2.84 -0.31 0.00 0.00 175.10 174.25 1qji s PRO 47 N -0.53 4.14 0.16 4.82 0.02 -1.26 -1.08 135.00 141.26 1qji s PRO 47 Ca 0.08 2.60 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 1qji s PRO 47 Cb -0.08 -3.68 -0.08 0.00 0.02 0.00 0.00 34.50 30.69 1qji s PRO 47 CO -0.01 -0.86 1.21 0.50 -0.33 0.00 0.00 177.00 177.52 1qji s ARG 48 N 2.99 4.47 0.02 5.54 3.00 0.28 -4.76 118.95 130.48 1qji s ARG 48 Ca 0.82 1.87 -0.05 0.00 -1.00 0.00 0.00 55.73 57.38 1qji s ARG 48 Cb -0.46 -3.26 -0.02 0.00 0.00 0.00 0.00 34.95 31.22 1qji s ARG 48 CO 0.37 -0.15 -0.10 0.25 0.00 0.00 0.00 175.30 175.68 1qji n THR 49 N 2.87 1.27 -0.52 4.11 -2.24 -1.26 -4.93 114.28 113.58 1qji n THR 49 Ca 0.06 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1qji n THR 49 Cb 0.45 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1qji n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qji n THR 50 N -3.73 0.00 -1.88 4.28 -2.24 -1.26 -5.07 114.28 104.38 1qji n THR 50 Ca -0.04 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1qji n THR 50 Cb 0.14 1.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1qji n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qji s GLU 51 N -0.02 4.18 0.10 -0.78 8.01 -1.26 -4.90 118.70 124.02 1qji s GLU 51 Ca 0.00 2.47 0.01 0.00 0.01 0.00 0.00 54.97 57.46 1qji s GLU 51 Cb 0.00 -3.02 -0.25 0.00 -4.31 0.00 0.00 34.13 26.55 1qji s GLU 51 CO 0.00 -0.49 1.21 0.66 0.01 0.00 0.00 175.26 176.65 1qji h SER 52 N 3.94 0.22 -3.88 -0.19 4.64 -1.97 -3.43 113.55 112.88 1qji h SER 52 Ca -0.49 -0.23 -0.64 0.00 -0.47 0.00 0.00 61.79 59.96 1qji h SER 52 Cb 1.23 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 1qji h SER 52 CO 0.71 1.18 -0.49 -1.81 -0.87 0.00 0.00 176.83 175.55 1qji s ASP 53 N -6.93 6.04 0.37 4.97 1.01 -1.26 -3.78 116.67 117.09 1qji s ASP 53 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 52.55 53.10 1qji s ASP 53 Cb 0.09 -2.13 0.05 0.00 1.01 0.00 0.00 42.92 41.93 1qji s ASP 53 CO 0.85 -0.07 0.75 -0.72 0.21 0.00 0.00 175.17 176.19 1qji s TYR 54 N 1.79 0.17 -0.19 4.23 1.13 -0.77 -4.59 117.35 119.11 1qji s TYR 54 Ca 0.08 -0.78 -0.02 0.00 -1.41 0.00 0.00 57.07 54.94 1qji s TYR 54 Cb -0.16 0.73 -0.00 0.00 -1.10 0.00 0.00 41.96 41.43 1qji s TYR 54 CO 0.11 -1.48 -0.10 0.08 -2.51 0.00 0.00 175.55 171.64 1qji s VAL 55 N -2.60 2.97 -0.32 -3.49 1.01 -0.16 -1.10 120.40 116.70 1qji s VAL 55 Ca 0.16 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 1qji s VAL 55 Cb -0.05 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1qji s VAL 55 CO 0.12 0.47 0.29 -0.70 0.00 0.00 0.00 175.10 175.28 1qji s GLU 56 N 1.17 3.65 -0.19 2.72 2.12 0.15 -1.26 118.70 127.07 1qji s GLU 56 Ca 0.02 -0.44 -0.11 0.00 0.36 0.00 0.00 54.97 54.80 1qji s GLU 56 Cb -0.14 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 1qji s GLU 56 CO -0.03 -0.41 0.18 0.42 -0.54 0.00 0.00 175.26 174.87 1qji s ILE 57 N 1.87 5.38 0.03 -3.70 1.01 0.49 -1.49 121.20 124.80 1qji s ILE 57 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1qji s ILE 57 Cb -0.17 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1qji s ILE 57 CO 0.11 0.43 -0.04 0.72 0.00 0.00 0.00 174.94 176.15 1qji s PHE 58 N 0.38 0.43 -0.11 3.97 -0.71 -0.97 -0.53 117.98 120.44 1qji s PHE 58 Ca 0.10 -0.62 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 1qji s PHE 58 Cb -0.12 -0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.41 1qji s PHE 58 CO -0.00 -0.19 0.56 0.25 -1.34 0.00 0.00 175.22 174.50 1qji n THR 59 N 1.25 0.07 1.62 -4.49 -2.24 -1.26 -1.63 114.28 107.61 1qji n THR 59 Ca -0.22 -0.53 0.15 0.00 -2.27 0.00 0.00 64.05 61.18 1qji n THR 59 Cb 0.56 0.98 0.80 0.00 -2.10 0.00 0.00 70.33 70.57 1qji n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qji n SER 60 N 0.02 0.12 -2.40 3.42 3.41 -1.26 0.18 113.62 117.10 1qji n SER 60 Ca 0.01 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1qji n SER 60 Cb 0.04 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1qji n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qji n GLY 61 N 1.18 0.24 3.00 5.00 0.00 -1.26 -4.97 105.19 108.39 1qji n GLY 61 Ca 0.18 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1qji n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qji s SER 62 N -1.00 2.84 0.00 1.61 0.15 -1.26 -4.63 113.70 111.41 1qji s SER 62 Ca 0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1qji s SER 62 Cb 0.00 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1qji s SER 62 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1qji n GLY 63 N 4.76 -0.61 3.26 9.45 0.00 -1.26 -4.88 105.19 115.91 1qji n GLY 63 Ca -0.16 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1qji n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qji s TRP 65 N 1.40 -0.21 -0.06 0.00 1.48 -0.62 -4.99 118.94 115.94 1qji s TRP 65 Ca 0.02 -0.10 -0.30 0.00 -1.06 0.00 0.00 56.10 54.66 1qji s TRP 65 Cb -0.17 0.33 0.09 0.00 -1.16 0.00 0.00 33.47 32.56 1qji s TRP 65 CO -0.02 -0.78 0.79 0.45 -4.06 0.00 0.00 176.95 173.33 1qji s SER 66 N -2.82 -0.53 0.82 -2.66 0.15 -1.26 -0.48 113.70 106.91 1qji s SER 66 Ca 0.05 0.50 -0.12 0.00 0.70 0.00 0.00 55.95 57.08 1qji s SER 66 Cb 0.01 0.46 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 1qji s SER 66 CO -0.09 -0.56 1.10 -0.31 1.20 0.00 0.00 173.24 174.58 1qji s TYR 67 N -1.55 2.76 -0.26 3.44 2.02 -1.26 -4.87 117.35 117.63 1qji s TYR 67 Ca -0.06 1.12 -0.10 0.00 -0.37 0.00 0.00 57.07 57.67 1qji s TYR 67 Cb -0.00 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 1qji s TYR 67 CO 0.04 -1.88 0.14 0.08 -1.57 0.00 0.00 175.55 172.36 1qji s VAL 68 N -3.16 4.98 0.00 0.71 1.01 -1.26 -2.88 120.40 119.80 1qji s VAL 68 Ca 0.61 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1qji s VAL 68 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1qji s VAL 68 CO 0.54 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1qji n GLY 69 N 4.83 -2.10 3.58 4.51 0.00 -0.24 -4.74 105.19 111.03 1qji n GLY 69 Ca -0.15 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1qji n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qji s ARG 70 N -0.09 3.73 0.00 1.61 3.52 0.68 -4.73 118.95 123.67 1qji s ARG 70 Ca 0.00 0.08 0.25 0.00 -0.13 0.00 0.00 55.73 55.93 1qji s ARG 70 Cb 0.00 -3.79 0.34 0.00 -1.56 0.00 0.00 34.95 29.94 1qji s ARG 70 CO 0.00 -0.68 1.33 0.44 -0.81 0.00 0.00 175.30 175.58 1qji n ILE 71 N 5.51 0.00 -0.54 4.11 -5.35 -1.26 -4.61 119.36 117.22 1qji n ILE 71 Ca -0.02 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1qji n ILE 71 Cb 0.49 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1qji n ILE 71 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1qji n SER 72 N 0.72 -4.04 0.00 7.28 3.41 -1.26 -5.06 113.62 114.67 1qji n SER 72 Ca 0.14 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1qji n SER 72 Cb 0.51 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1qji n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qji n GLY 73 N -0.36 -1.58 3.59 5.00 0.00 -1.25 -4.84 105.19 105.75 1qji n GLY 73 Ca 0.00 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1qji n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qji s ALA 74 N -1.98 3.50 0.02 4.61 0.00 -1.25 -1.85 121.76 124.80 1qji s ALA 74 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1qji s ALA 74 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1qji s ALA 74 CO 0.00 -1.20 -0.01 1.14 0.00 0.00 0.00 175.76 175.69 1qji s GLN 75 N 2.70 2.70 0.12 0.00 -2.07 -0.26 -4.93 119.66 117.92 1qji s GLN 75 Ca 0.26 -0.68 -0.09 0.00 -1.82 0.00 0.00 55.36 53.03 1qji s GLN 75 Cb -0.15 -2.61 -0.06 0.00 -1.09 0.00 0.00 33.01 29.10 1qji s GLN 75 CO 0.13 0.60 0.43 -0.65 -1.32 0.00 0.00 175.29 174.48 1qji s GLN 76 N -1.68 3.76 -0.18 9.60 -0.21 -1.26 0.33 119.66 130.02 1qji s GLN 76 Ca 0.20 0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.75 1qji s GLN 76 Cb -0.11 -2.92 0.04 0.00 1.00 0.00 0.00 33.01 31.02 1qji s GLN 76 CO 0.11 0.50 -0.08 0.08 -2.12 0.00 0.00 175.29 173.78 1qji s VAL 77 N -1.51 1.41 -0.19 1.09 1.01 -0.55 -4.18 120.40 117.47 1qji s VAL 77 Ca 0.37 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1qji s VAL 77 Cb -0.13 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1qji s VAL 77 CO 0.20 0.17 0.23 -0.55 0.00 0.00 0.00 175.10 175.15 1qji s SER 78 N 1.50 6.31 -0.40 3.32 0.15 0.36 -2.30 113.70 122.64 1qji s SER 78 Ca -0.00 0.35 0.05 0.00 0.70 0.00 0.00 55.95 57.05 1qji s SER 78 Cb -0.16 -2.15 0.20 0.00 -1.71 0.00 0.00 66.02 62.21 1qji s SER 78 CO -0.08 0.09 0.41 0.18 1.20 0.00 0.00 173.24 175.04 1qji n LEU 79 N 3.80 -0.31 -3.99 3.45 4.77 -0.64 -1.58 117.00 122.50 1qji n LEU 79 Ca -0.13 -4.46 -0.51 0.00 -0.03 0.00 0.00 56.01 50.88 1qji n LEU 79 Cb 0.52 0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 42.13 1qji n LEU 79 CO 0.38 1.93 0.43 1.67 -1.33 0.00 0.00 177.39 180.47 1qji n GLN 80 N 2.35 0.00 -0.24 3.23 7.27 -1.05 -4.12 117.38 124.82 1qji n GLN 80 Ca 0.27 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.38 1qji n GLN 80 Cb 0.50 -1.27 0.16 0.00 2.41 0.00 0.00 30.24 32.04 1qji n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1qji h ALA 81 N 2.40 0.84 -2.74 1.69 0.00 -0.56 -2.50 119.26 118.39 1qji h ALA 81 Ca -0.42 0.18 -0.70 0.00 0.00 0.00 0.00 54.91 53.97 1qji h ALA 81 Cb 1.27 0.27 -0.36 0.00 0.00 0.00 0.00 17.79 18.98 1qji h ALA 81 CO 0.57 -0.36 -0.10 0.09 0.00 0.00 0.00 179.25 179.45 1qji n ASN 82 N -5.21 4.26 0.00 0.00 3.02 -1.26 -4.39 115.26 111.69 1qji n ASN 82 Ca 0.13 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1qji n ASN 82 Cb 0.43 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1qji n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qji n GLY 83 N 2.09 0.51 0.00 7.41 0.00 -1.21 -5.00 105.19 108.99 1qji n GLY 83 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1qji n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qji n VAL 85 N -1.30 3.66 -4.33 0.00 0.31 -1.25 -4.16 118.33 111.26 1qji n VAL 85 Ca 0.01 -3.13 -0.19 0.00 -0.01 0.00 0.00 64.34 61.02 1qji n VAL 85 Cb 0.16 -2.58 -0.13 0.00 -0.91 0.00 0.00 33.84 30.38 1qji n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1qji s TYR 86 N 2.73 1.14 0.20 3.52 2.02 -1.26 -5.03 117.35 120.67 1qji s TYR 86 Ca 0.49 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.69 1qji s TYR 86 Cb 0.14 -0.68 0.20 0.00 -0.40 0.00 0.00 41.96 41.22 1qji s TYR 86 CO -0.08 0.02 1.61 1.25 -1.57 0.00 0.00 175.55 176.79 1qji h HIS 87 N 4.99 -0.52 -0.20 2.71 2.76 -1.89 0.15 115.15 123.16 1qji h HIS 87 Ca -0.37 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 57.81 1qji h HIS 87 Cb 1.18 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 30.45 1qji h HIS 87 CO 0.53 -0.31 -0.10 0.78 -1.30 0.00 0.00 177.93 177.53 1qji h GLY 88 N -0.06 0.35 1.14 5.26 0.00 -1.74 -1.64 103.07 106.38 1qji h GLY 88 Ca 0.28 -0.21 -0.27 0.00 0.00 0.00 0.00 47.33 47.13 1qji h GLY 88 CO -0.66 0.20 -1.12 -0.84 0.00 0.00 0.00 176.54 174.12 1qji h THR 89 N 0.31 1.31 -0.08 4.70 2.02 -1.32 -2.52 112.91 117.33 1qji h THR 89 Ca 0.06 -2.40 0.02 0.00 0.77 0.00 0.00 66.41 64.86 1qji h THR 89 Cb 0.37 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 1qji h THR 89 CO 0.02 0.72 -0.04 0.40 0.37 0.00 0.00 175.52 176.99 1qji h ILE 90 N 0.20 0.87 -0.41 3.11 2.04 -0.61 0.04 117.51 122.75 1qji h ILE 90 Ca -0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1qji h ILE 90 Cb 1.81 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1qji h ILE 90 CO 0.22 0.00 0.23 0.40 0.00 0.00 0.00 178.15 179.00 1qji h ILE 91 N -0.04 1.03 -0.34 -0.67 2.04 -1.37 -2.05 117.51 116.10 1qji h ILE 91 Ca 0.05 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1qji h ILE 91 Cb 0.10 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1qji h ILE 91 CO -0.10 0.09 -0.20 -0.74 0.00 0.00 0.00 178.15 177.20 1qji h HIS 92 N 0.47 -0.51 -0.62 1.37 2.76 -0.86 0.78 115.15 118.55 1qji h HIS 92 Ca 0.17 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1qji h HIS 92 Cb 0.02 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1qji h HIS 92 CO -0.08 -0.28 0.06 0.93 -1.30 0.00 0.00 177.93 177.27 1qji h GLU 93 N -0.15 1.05 -0.36 5.26 4.39 -0.77 -2.77 114.58 121.23 1qji h GLU 93 Ca 0.17 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1qji h GLU 93 Cb 0.42 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1qji h GLU 93 CO -0.44 1.00 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.18 1qji h LEU 94 N 0.95 0.65 -1.72 1.33 3.38 -1.09 -2.29 115.31 116.53 1qji h LEU 94 Ca 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1qji h LEU 94 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1qji h LEU 94 CO 0.02 0.83 -0.18 -0.03 0.09 0.00 0.00 178.44 179.17 1qji h MET 95 N 0.59 0.00 0.20 1.13 4.05 -0.69 0.74 114.93 120.96 1qji h MET 95 Ca 0.10 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1qji h MET 95 Cb 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1qji h MET 95 CO 0.04 0.18 -0.10 0.45 0.23 0.00 0.00 176.91 177.71 1qji h HIS 96 N 0.00 -0.25 -0.59 1.39 3.86 -1.15 -1.06 115.15 117.34 1qji h HIS 96 Ca -0.00 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.36 1qji h HIS 96 Cb 0.36 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 1qji h HIS 96 CO 0.00 0.10 0.42 0.00 0.86 0.00 0.00 177.93 179.31 1qji h ALA 97 N 0.05 2.46 0.00 2.45 0.00 -0.69 0.04 119.26 123.58 1qji h ALA 97 Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1qji h ALA 97 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qji h ALA 97 CO 0.05 -0.63 -0.51 0.82 0.00 0.00 0.00 179.25 178.97 1qji h ILE 98 N 0.07 1.25 0.00 0.00 2.04 -0.72 -3.03 117.51 117.12 1qji h ILE 98 Ca 0.28 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1qji h ILE 98 Cb 1.04 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1qji h ILE 98 CO -0.02 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.24 1qji n GLY 99 N 0.15 -0.44 3.76 5.37 0.00 -0.17 -4.64 105.19 109.22 1qji n GLY 99 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1qji n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qji s PHE 100 N -0.40 3.21 0.59 1.61 0.40 -0.43 -0.82 117.98 122.14 1qji s PHE 100 Ca 0.00 0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.55 1qji s PHE 100 Cb 0.00 -1.69 0.10 0.00 0.51 0.00 0.00 43.02 41.94 1qji s PHE 100 CO 0.00 0.52 0.81 0.66 0.70 0.00 0.00 175.22 177.92 1qji n TYR 101 N 1.05 -2.43 -2.34 0.36 4.01 -0.44 -4.18 117.16 113.18 1qji n TYR 101 Ca -0.12 -1.99 -0.35 0.00 -0.16 0.00 0.00 57.90 55.27 1qji n TYR 101 Cb 0.52 -0.57 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 1qji n TYR 101 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1qji s HIS 102 N -2.58 2.82 0.07 -0.72 3.76 -1.26 -4.38 115.29 113.00 1qji s HIS 102 Ca 0.60 1.56 -0.17 0.00 -0.15 0.00 0.00 55.06 56.89 1qji s HIS 102 Cb -0.05 -3.24 -0.11 0.00 1.11 0.00 0.00 32.58 30.29 1qji s HIS 102 CO 0.38 -1.33 1.39 1.49 -0.85 0.00 0.00 174.74 175.82 1qji h GLU 103 N 1.50 0.55 0.00 1.40 4.57 -1.26 -2.96 114.58 118.38 1qji h GLU 103 Ca -0.50 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1qji h GLU 103 Cb 1.25 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1qji h GLU 103 CO 0.58 0.87 0.00 -2.39 -1.18 0.00 0.00 179.01 176.90 1qji n HIS 104 N -4.40 0.00 -0.47 0.92 1.44 -1.26 -2.09 115.22 109.36 1qji n HIS 104 Ca -0.05 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.72 1qji n HIS 104 Cb 0.42 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.68 1qji n HIS 104 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1qji n THR 105 N -0.98 1.46 -0.90 0.61 -2.24 -1.12 -4.85 114.28 106.26 1qji n THR 105 Ca 0.09 -1.38 -0.31 0.00 -2.27 0.00 0.00 64.05 60.18 1qji n THR 105 Cb 0.04 0.21 0.14 0.00 -2.10 0.00 0.00 70.33 68.62 1qji n THR 105 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qji s ARG 106 N -1.72 1.42 0.57 -0.78 0.52 -0.89 -0.90 118.95 117.18 1qji s ARG 106 Ca 0.25 1.47 0.30 0.00 -0.52 0.00 0.00 55.73 57.23 1qji s ARG 106 Cb 0.18 -1.78 1.74 0.00 0.52 0.00 0.00 34.95 35.61 1qji s ARG 106 CO 0.09 -2.32 2.20 0.52 0.02 0.00 0.00 175.30 175.82 1qji h MET 107 N -1.56 0.00 -0.49 3.54 2.86 -1.92 -2.31 114.93 115.05 1qji h MET 107 Ca -0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1qji h MET 107 Cb 1.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1qji h MET 107 CO 0.45 0.04 0.00 -0.40 1.06 0.00 0.00 176.91 178.06 1qji n ASP 108 N -3.72 4.51 0.14 1.22 5.75 -1.26 -4.65 116.55 118.54 1qji n ASP 108 Ca -0.03 -2.65 0.07 0.00 -0.01 0.00 0.00 54.79 52.18 1qji n ASP 108 Cb 0.13 -0.55 0.56 0.00 -1.03 0.00 0.00 41.12 40.24 1qji n ASP 108 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1qji h ARG 109 N 3.20 0.21 0.00 0.11 -0.00 -1.74 0.07 114.38 116.22 1qji h ARG 109 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1qji h ARG 109 Cb 1.47 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.40 1qji h ARG 109 CO 0.26 0.14 0.00 -0.44 -0.00 0.00 0.00 179.97 179.92 1qji h ASP 110 N 0.21 0.00 1.30 0.08 3.32 -1.83 0.55 116.42 120.05 1qji h ASP 110 Ca 0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1qji h ASP 110 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1qji h ASP 110 CO -0.02 0.00 -0.07 0.78 -1.72 0.00 0.00 179.24 178.21 1qji h ASN 111 N 0.00 0.00 0.00 6.45 4.21 -1.34 -3.37 115.58 121.53 1qji h ASN 111 Ca 0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1qji h ASN 111 Cb 0.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 1qji h ASN 111 CO 0.00 0.07 -1.41 -1.22 -1.29 0.00 0.00 177.43 173.58 1qji n TYR 112 N -3.16 0.00 -4.33 1.19 4.02 0.14 -4.92 117.16 110.10 1qji n TYR 112 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 1qji n TYR 112 Cb 0.42 -0.29 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 1qji n TYR 112 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1qji s VAL 113 N -2.15 0.82 -0.07 -0.72 -7.23 0.14 -0.77 120.40 110.43 1qji s VAL 113 Ca -0.07 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1qji s VAL 113 Cb 0.02 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1qji s VAL 113 CO 0.20 -0.17 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.72 1qji s THR 114 N -3.57 1.74 -0.29 5.32 2.01 -0.60 -4.29 115.64 115.97 1qji s THR 114 Ca 0.33 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1qji s THR 114 Cb 0.07 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1qji s THR 114 CO 0.11 0.49 0.23 -0.63 -0.69 0.00 0.00 174.62 174.13 1qji s ILE 115 N 0.25 5.28 -1.23 1.82 -1.09 -1.26 -1.38 121.20 123.60 1qji s ILE 115 Ca -0.12 0.21 -0.15 0.00 -2.23 0.00 0.00 60.65 58.35 1qji s ILE 115 Cb -0.15 -3.59 0.13 0.00 -1.58 0.00 0.00 42.46 37.27 1qji s ILE 115 CO 0.06 0.20 1.53 0.20 -1.23 0.00 0.00 174.94 175.69 1qji s ASN 116 N 1.73 6.97 0.50 3.58 0.01 0.70 -4.81 114.94 123.62 1qji s ASN 116 Ca 0.09 -2.76 0.22 0.00 -0.71 0.00 0.00 52.86 49.70 1qji s ASN 116 Cb -0.16 -2.46 1.28 0.00 0.41 0.00 0.00 41.25 40.32 1qji s ASN 116 CO 0.11 -0.91 1.97 1.88 -1.51 0.00 0.00 177.10 178.64 1qji h TYR 117 N 7.39 0.16 0.00 2.20 0.05 -1.93 0.04 116.97 124.89 1qji h TYR 117 Ca 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.14 1qji h TYR 117 Cb 0.88 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.57 1qji h TYR 117 CO 1.22 0.06 -0.01 -0.56 -1.05 0.00 0.00 178.16 177.82 1qji h GLN 118 N 0.14 0.00 -0.02 4.88 -0.00 -1.96 -2.55 115.11 115.59 1qji h GLN 118 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1qji h GLN 118 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1qji h GLN 118 CO -0.04 0.01 -0.24 0.09 -0.00 0.00 0.00 178.83 178.64 1qji n ASN 119 N -3.11 2.41 -4.76 0.06 3.02 -0.00 -4.94 115.26 107.93 1qji n ASN 119 Ca -0.01 -1.71 -0.39 0.00 -0.03 0.00 0.00 54.58 52.44 1qji n ASN 119 Cb 0.22 0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1qji n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qji s VAL 120 N -2.25 4.70 -0.12 2.41 1.01 -0.96 -0.97 120.40 124.21 1qji s VAL 120 Ca 0.23 1.50 -0.35 0.00 0.00 0.00 0.00 61.98 63.37 1qji s VAL 120 Cb 0.19 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1qji s VAL 120 CO 0.44 0.44 1.89 -0.67 0.00 0.00 0.00 175.10 177.19 1qji n ASP 121 N 2.38 3.29 0.04 3.32 -0.08 -0.24 -4.79 116.55 120.47 1qji n ASP 121 Ca -0.05 0.95 0.22 0.00 -1.51 0.00 0.00 54.79 54.40 1qji n ASP 121 Cb 0.50 -1.34 0.68 0.00 2.34 0.00 0.00 41.12 43.30 1qji n ASP 121 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1qji h PRO 122 N 9.21 0.00 -0.12 -0.67 0.11 -1.91 0.12 132.00 138.72 1qji h PRO 122 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qji h PRO 122 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qji h PRO 122 CO 0.95 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.61 1qji n SER 123 N -3.56 1.18 0.00 -2.05 3.41 -1.26 -3.95 113.62 107.39 1qji n SER 123 Ca 0.10 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1qji n SER 123 Cb 0.80 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1qji n SER 123 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1qji n MET 124 N 0.01 1.72 0.08 4.33 0.00 0.40 -4.81 117.12 118.85 1qji n MET 124 Ca 0.15 -1.08 0.15 0.00 0.00 0.00 0.00 57.70 56.92 1qji n MET 124 Cb 0.25 -0.84 0.66 0.00 0.00 0.00 0.00 33.22 33.29 1qji n MET 124 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1qji h THR 125 N 0.91 0.84 0.00 1.12 1.35 -1.68 -2.43 112.91 113.02 1qji h THR 125 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1qji h THR 125 Cb 0.61 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1qji h THR 125 CO 0.00 0.01 0.00 0.28 -0.25 0.00 0.00 175.52 175.56 1qji h SER 126 N 0.04 0.00 0.77 5.36 0.02 -1.91 -2.10 113.55 115.73 1qji h SER 126 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1qji h SER 126 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1qji h SER 126 CO -0.01 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.27 1qji n ASN 127 N -2.63 0.48 -0.72 3.07 3.02 -0.91 -1.92 115.26 115.66 1qji n ASN 127 Ca -0.01 0.61 0.08 0.00 -0.03 0.00 0.00 54.58 55.22 1qji n ASN 127 Cb 0.13 -0.71 0.13 0.00 -0.61 0.00 0.00 39.78 38.71 1qji n ASN 127 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1qji n PHE 128 N -2.02 0.27 -2.03 3.10 3.01 -0.79 -4.94 117.46 114.06 1qji n PHE 128 Ca 0.03 -0.21 -0.40 0.00 1.01 0.00 0.00 57.45 57.88 1qji n PHE 128 Cb 0.24 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1qji n PHE 128 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qji s ASP 129 N -1.15 6.42 0.33 4.37 1.01 -0.81 -4.89 116.67 121.95 1qji s ASP 129 Ca 0.24 2.73 -0.27 0.00 0.71 0.00 0.00 52.55 55.95 1qji s ASP 129 Cb 0.14 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.33 1qji s ASP 129 CO 0.20 -0.78 1.08 -0.63 0.21 0.00 0.00 175.17 175.25 1qji s ILE 130 N -1.21 3.56 -1.12 0.77 1.01 -1.26 -4.77 121.20 118.17 1qji s ILE 130 Ca 0.54 1.41 -0.18 0.00 0.00 0.00 0.00 60.65 62.43 1qji s ILE 130 Cb -0.40 -3.83 0.12 0.00 0.01 0.00 0.00 42.46 38.35 1qji s ILE 130 CO 0.52 0.22 1.43 -1.81 0.00 0.00 0.00 174.94 175.29 1qji s ASP 131 N -1.16 6.81 0.47 3.58 1.01 -0.08 -4.80 116.67 122.50 1qji s ASP 131 Ca 0.50 -2.36 0.17 0.00 0.71 0.00 0.00 52.55 51.57 1qji s ASP 131 Cb -0.28 -2.47 1.15 0.00 1.01 0.00 0.00 42.92 42.33 1qji s ASP 131 CO 0.36 -1.06 2.00 0.74 0.21 0.00 0.00 175.17 177.42 1qji h THR 132 N 5.54 0.86 -3.61 -1.27 2.02 -1.92 -3.28 112.91 111.24 1qji h THR 132 Ca 0.29 -0.09 -0.76 0.00 0.77 0.00 0.00 66.41 66.61 1qji h THR 132 Cb 0.93 0.57 -0.30 0.00 -1.74 0.00 0.00 68.15 67.61 1qji h THR 132 CO 1.29 0.05 0.08 -0.31 0.37 0.00 0.00 175.52 177.00 1qji s TYR 133 N -5.26 3.86 0.32 3.16 2.02 -1.26 -4.98 117.35 115.21 1qji s TYR 133 Ca -0.07 -2.51 -0.15 0.00 -0.37 0.00 0.00 57.07 53.97 1qji s TYR 133 Cb 0.19 -3.61 0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1qji s TYR 133 CO 0.74 -0.90 0.66 -1.54 -1.57 0.00 0.00 175.55 172.94 1qji s SER 134 N 1.23 0.03 -0.00 2.29 1.04 -1.24 -4.34 113.70 112.71 1qji s SER 134 Ca 0.23 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1qji s SER 134 Cb -0.11 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1qji s SER 134 CO -0.08 -1.42 -0.00 0.00 0.98 0.00 0.00 173.24 172.71 1qji s ARG 135 N -3.25 0.02 0.58 4.02 1.70 -0.33 -4.90 118.95 116.78 1qji s ARG 135 Ca 0.18 0.00 -0.16 0.00 -0.47 0.00 0.00 55.73 55.28 1qji s ARG 135 Cb -0.04 -0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.26 1qji s ARG 135 CO 0.11 -0.00 1.04 0.71 -1.08 0.00 0.00 175.30 176.07 1qji s TYR 136 N 0.05 3.12 -0.43 5.89 2.02 -1.26 -0.34 117.35 126.40 1qji s TYR 136 Ca -0.00 1.49 0.10 0.00 -0.37 0.00 0.00 57.07 58.29 1qji s TYR 136 Cb -0.01 -2.95 0.33 0.00 -0.40 0.00 0.00 41.96 38.93 1qji s TYR 136 CO -0.00 -0.92 0.74 1.33 -1.57 0.00 0.00 175.55 175.13 1qji n VAL 137 N -1.96 0.57 -0.25 0.71 0.24 -1.26 -4.88 118.33 111.51 1qji n VAL 137 Ca 0.08 -4.74 0.00 0.00 -2.04 0.00 0.00 64.34 57.64 1qji n VAL 137 Cb 0.53 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1qji n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qji n GLY 138 N 0.39 2.07 3.25 7.63 0.00 -1.26 -4.40 105.19 112.87 1qji n GLY 138 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1qji n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qji s GLU 139 N -0.15 1.74 0.98 1.61 0.41 -1.26 -5.03 118.70 116.99 1qji s GLU 139 Ca 0.00 -0.83 -0.16 0.00 -0.41 0.00 0.00 54.97 53.57 1qji s GLU 139 Cb 0.00 -1.72 0.20 0.00 -1.78 0.00 0.00 34.13 30.84 1qji s GLU 139 CO 0.00 0.47 1.30 -0.51 -0.49 0.00 0.00 175.26 176.03 1qji s ASP 140 N -0.64 2.99 0.25 -0.19 1.01 -1.26 -4.99 116.67 113.83 1qji s ASP 140 Ca 0.09 0.32 -0.31 0.00 0.71 0.00 0.00 52.55 53.36 1qji s ASP 140 Cb -0.09 -0.40 -0.11 0.00 1.01 0.00 0.00 42.92 43.33 1qji s ASP 140 CO -0.00 -2.82 1.64 -0.47 0.21 0.00 0.00 175.17 173.72 1qji s TYR 141 N -3.80 2.85 -0.23 4.23 6.14 -1.26 -5.02 117.35 120.27 1qji s TYR 141 Ca 0.73 0.60 0.01 0.00 0.64 0.00 0.00 57.07 59.05 1qji s TYR 141 Cb -0.05 -4.08 0.06 0.00 0.42 0.00 0.00 41.96 38.31 1qji s TYR 141 CO 0.53 -3.83 -0.06 -0.65 0.64 0.00 0.00 175.55 172.18 1qji s GLN 142 N 0.30 1.69 0.49 4.97 -1.52 -1.26 -5.00 119.66 119.33 1qji s GLN 142 Ca 0.68 -0.95 0.17 0.00 -1.95 0.00 0.00 55.36 53.31 1qji s GLN 142 Cb -0.48 -2.54 1.21 0.00 -0.22 0.00 0.00 33.01 30.98 1qji s GLN 142 CO 0.40 -0.56 2.05 1.88 -0.25 0.00 0.00 175.29 178.81 1qji h TYR 143 N 7.96 0.16 -0.66 0.91 0.05 -2.00 -1.80 116.97 121.59 1qji h TYR 143 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1qji h TYR 143 Cb 1.08 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1qji h TYR 143 CO 0.50 0.08 0.00 0.66 -1.05 0.00 0.00 178.16 178.36 1qji n TYR 144 N -4.47 0.94 -1.61 4.88 4.01 -1.26 -4.82 117.16 114.83 1qji n TYR 144 Ca 0.05 -0.45 -0.39 0.00 -0.16 0.00 0.00 57.90 56.94 1qji n TYR 144 Cb 0.32 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.36 1qji n TYR 144 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qji n SER 145 N 1.40 0.95 0.28 7.72 2.88 -0.68 -4.74 113.62 121.44 1qji n SER 145 Ca 0.22 0.90 0.19 0.00 -1.33 0.00 0.00 58.87 58.85 1qji n SER 145 Cb 0.59 -1.37 0.86 0.00 -0.75 0.00 0.00 64.21 63.53 1qji n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1qji h ILE 146 N 0.93 0.00 -0.20 2.46 6.09 -1.90 -1.50 117.51 123.39 1qji h ILE 146 Ca -0.47 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 1qji h ILE 146 Cb 1.35 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.88 1qji h ILE 146 CO 0.53 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.84 1qji n MET 147 N -2.98 1.86 -3.80 2.19 2.81 -1.26 -4.69 117.12 111.25 1qji n MET 147 Ca -0.01 -1.30 -0.34 0.00 -1.81 0.00 0.00 57.70 54.24 1qji n MET 147 Cb 0.20 -1.41 -0.05 0.00 -0.71 0.00 0.00 33.22 31.25 1qji n MET 147 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1qji s HIS 148 N -1.75 3.57 0.76 2.03 5.04 -0.57 -0.65 115.29 123.72 1qji s HIS 148 Ca 0.33 0.53 -0.09 0.00 -1.54 0.00 0.00 55.06 54.29 1qji s HIS 148 Cb 0.18 -1.95 0.08 0.00 0.04 0.00 0.00 32.58 30.93 1qji s HIS 148 CO 0.27 0.63 1.09 0.71 -2.34 0.00 0.00 174.74 175.10 1qji s TYR 149 N -1.28 2.79 0.60 3.88 2.02 -1.26 -4.17 117.35 119.92 1qji s TYR 149 Ca 0.26 0.51 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 1qji s TYR 149 Cb -0.13 -3.36 0.12 0.00 -0.40 0.00 0.00 41.96 38.19 1qji s TYR 149 CO 0.16 -1.63 0.82 0.41 -1.57 0.00 0.00 175.55 173.73 1qji n GLY 150 N -3.11 0.85 0.21 0.71 0.00 -1.15 -4.44 105.19 98.26 1qji n GLY 150 Ca 0.09 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.21 1qji n GLY 150 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qji h LYS 151 N 0.00 0.00 -0.19 1.61 2.10 -1.71 -3.25 116.57 115.13 1qji h LYS 151 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1qji h LYS 151 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1qji h LYS 151 CO 0.30 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.41 1qji n TYR 152 N -2.78 0.25 -1.63 0.07 4.01 -1.26 -1.23 117.16 114.58 1qji n TYR 152 Ca 0.02 -0.28 -0.57 0.00 -0.16 0.00 0.00 57.90 56.92 1qji n TYR 152 Cb 0.33 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 1qji n TYR 152 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1qji n SER 153 N 0.52 2.22 -2.48 7.72 7.64 -1.23 -0.84 113.62 127.17 1qji n SER 153 Ca 0.09 0.92 -0.20 0.00 1.01 0.00 0.00 58.87 60.69 1qji n SER 153 Cb 0.35 -1.14 0.01 0.00 -1.01 0.00 0.00 64.21 62.42 1qji n SER 153 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qji n PHE 154 N 6.41 -1.34 -2.48 1.43 3.72 -1.26 -4.71 117.46 119.23 1qji n PHE 154 Ca 0.31 0.23 -0.33 0.00 -0.05 0.00 0.00 57.45 57.61 1qji n PHE 154 Cb 0.13 -3.99 -0.03 0.00 -0.94 0.00 0.00 39.48 34.65 1qji n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1qji s SER 155 N -2.41 6.38 0.22 4.37 0.15 -0.02 -1.08 113.70 121.30 1qji s SER 155 Ca 0.13 1.82 0.26 0.00 0.70 0.00 0.00 55.95 58.86 1qji s SER 155 Cb -0.06 -2.55 0.83 0.00 -1.71 0.00 0.00 66.02 62.54 1qji s SER 155 CO 0.16 -0.76 1.77 2.30 1.20 0.00 0.00 173.24 177.91 1qji n ILE 156 N -1.18 0.64 -3.40 6.45 -5.35 -0.14 -4.15 119.36 112.23 1qji n ILE 156 Ca 0.08 -0.21 -0.27 0.00 -0.27 0.00 0.00 62.75 62.08 1qji n ILE 156 Cb 0.53 -0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 37.65 1qji n ILE 156 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1qji s GLN 157 N -3.14 0.84 0.25 6.28 0.74 -1.26 -5.07 119.66 118.30 1qji s GLN 157 Ca 0.10 -1.95 -0.31 0.00 0.05 0.00 0.00 55.36 53.24 1qji s GLN 157 Cb 0.12 -1.37 -0.13 0.00 1.10 0.00 0.00 33.01 32.73 1qji s GLN 157 CO 0.57 -1.36 1.47 1.87 -0.55 0.00 0.00 175.29 177.29 1qji n TRP 158 N 3.06 2.34 0.00 1.67 -0.00 -1.26 -1.16 117.44 122.09 1qji n TRP 158 Ca 0.27 0.37 0.00 0.00 -0.00 0.00 0.00 57.50 58.14 1qji n TRP 158 Cb 0.46 -2.50 0.00 0.00 -0.00 0.00 0.00 31.31 29.27 1qji n TRP 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1qji n GLY 159 N 2.26 2.12 1.05 5.87 0.00 -1.26 -4.81 105.19 110.42 1qji n GLY 159 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qji n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qji n VAL 160 N -2.00 1.00 -3.57 1.61 0.31 -0.53 -5.03 118.33 110.11 1qji n VAL 160 Ca 0.00 0.33 -0.37 0.00 -0.01 0.00 0.00 64.34 64.29 1qji n VAL 160 Cb 0.00 -1.56 -0.09 0.00 -0.91 0.00 0.00 33.84 31.28 1qji n VAL 160 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qji s LEU 161 N -6.81 4.14 0.08 7.52 1.43 -0.31 -5.07 118.68 119.66 1qji s LEU 161 Ca 0.00 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.12 1qji s LEU 161 Cb 0.00 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 1qji s LEU 161 CO 0.00 0.03 0.78 -1.61 0.23 0.00 0.00 176.35 175.78 1qji s GLU 162 N 1.05 4.53 -0.10 1.70 2.02 -1.26 -4.72 118.70 121.91 1qji s GLU 162 Ca 0.12 1.11 0.18 0.00 0.02 0.00 0.00 54.97 56.40 1qji s GLU 162 Cb -0.14 -3.34 -0.24 0.00 0.10 0.00 0.00 34.13 30.52 1qji s GLU 162 CO 0.05 0.36 0.36 0.25 0.02 0.00 0.00 175.26 176.29 1qji n THR 163 N 2.48 1.14 -4.51 3.63 -2.24 -0.37 -4.54 114.28 109.87 1qji n THR 163 Ca -0.03 -0.76 -0.25 0.00 -2.27 0.00 0.00 64.05 60.74 1qji n THR 163 Cb 0.50 -0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 68.05 1qji n THR 163 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1qji s ILE 164 N -2.76 1.13 -0.13 2.28 1.01 -1.23 -0.22 121.20 121.29 1qji s ILE 164 Ca -0.08 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1qji s ILE 164 Cb 0.08 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.52 1qji s ILE 164 CO 0.84 0.36 -0.13 -0.69 0.00 0.00 0.00 174.94 175.32 1qji s VAL 165 N 0.79 1.43 0.26 2.92 1.01 -0.48 -4.58 120.40 121.75 1qji s VAL 165 Ca -0.12 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1qji s VAL 165 Cb -0.15 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 1qji s VAL 165 CO 0.02 0.43 1.23 -2.16 0.00 0.00 0.00 175.10 174.63 1qji s PRO 166 N 1.37 4.47 0.35 2.72 0.04 -1.26 -1.55 135.00 141.13 1qji s PRO 166 Ca 0.01 2.00 0.23 0.00 0.04 0.00 0.00 61.00 63.29 1qji s PRO 166 Cb -0.13 -3.16 0.33 0.00 0.04 0.00 0.00 34.50 31.57 1qji s PRO 166 CO -0.07 -0.07 1.50 -0.07 0.04 0.00 0.00 177.00 178.32 1qji h LEU 167 N 4.33 0.00-10.05 -3.56 3.38 -1.30 -3.47 115.31 104.64 1qji h LEU 167 Ca -0.46 -0.01 -0.51 0.00 0.09 0.00 0.00 57.88 56.98 1qji h LEU 167 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1qji h LEU 167 CO 0.70 0.01 -0.00 -1.10 0.09 0.00 0.00 178.44 178.14 1qji s GLN 168 N -3.23 3.82 0.34 1.13 -0.21 -1.26 -5.07 119.66 115.19 1qji s GLN 168 Ca 0.06 0.39 -0.26 0.00 0.02 0.00 0.00 55.36 55.57 1qji s GLN 168 Cb 0.07 -2.52 -0.10 0.00 1.00 0.00 0.00 33.01 31.46 1qji s GLN 168 CO 0.69 0.16 0.97 1.21 -2.12 0.00 0.00 175.29 176.20 1qji s ASN 169 N -2.67 7.21 -0.51 5.90 2.47 -1.26 -4.02 114.94 122.06 1qji s ASN 169 Ca 0.50 1.89 0.00 0.00 0.42 0.00 0.00 52.86 55.66 1qji s ASN 169 Cb -0.11 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1qji s ASN 169 CO 0.24 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.06 1qji n GLY 170 N 0.49 0.75 3.88 1.21 0.00 -1.26 -5.03 105.19 105.22 1qji n GLY 170 Ca 0.03 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1qji n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qji s ILE 171 N -2.13 5.35 -0.31 -0.61 -1.09 -1.26 -5.07 121.20 116.08 1qji s ILE 171 Ca 0.00 0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1qji s ILE 171 Cb 0.00 -3.53 0.10 0.00 -1.58 0.00 0.00 42.46 37.45 1qji s ILE 171 CO 0.00 0.46 0.09 -0.62 -1.23 0.00 0.00 174.94 173.65 1qji s ASP 172 N -1.45 4.06 0.00 3.58 2.15 -1.26 -4.95 116.67 118.80 1qji s ASP 172 Ca 0.23 -1.66 -0.30 0.00 0.43 0.00 0.00 52.55 51.25 1qji s ASP 172 Cb -0.13 -0.90 -0.05 0.00 -0.30 0.00 0.00 42.92 41.54 1qji s ASP 172 CO 0.12 -0.41 1.35 -0.76 -0.17 0.00 0.00 175.17 175.30 1qji s LEU 173 N 1.59 4.32 0.22 -1.34 1.43 -1.26 -5.01 118.68 118.62 1qji s LEU 173 Ca 0.10 2.06 0.08 0.00 -1.03 0.00 0.00 54.13 55.34 1qji s LEU 173 Cb -0.17 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1qji s LEU 173 CO -0.24 -0.67 -0.14 0.42 0.23 0.00 0.00 176.35 175.94 1qji s THR 174 N 2.20 1.80 0.58 5.49 -4.23 -1.26 -2.33 115.64 117.89 1qji s THR 174 Ca 0.62 -2.22 -0.10 0.00 -1.18 0.00 0.00 61.69 58.80 1qji s THR 174 Cb -0.30 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1qji s THR 174 CO 0.26 -0.55 0.97 -1.81 -0.54 0.00 0.00 174.62 172.96 1qji s ASP 175 N -3.35 6.27 0.30 3.99 1.01 -1.26 -2.96 116.67 120.68 1qji s ASP 175 Ca 0.24 1.33 0.06 0.00 0.71 0.00 0.00 52.55 54.89 1qji s ASP 175 Cb -0.01 -2.43 0.78 0.00 1.01 0.00 0.00 42.92 42.28 1qji s ASP 175 CO 0.08 -0.78 1.72 -0.65 0.21 0.00 0.00 175.17 175.75 1qji h PRO 176 N -0.09 0.52 0.00 8.23 0.11 -1.84 0.14 132.00 139.07 1qji h PRO 176 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qji h PRO 176 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qji h PRO 176 CO 0.62 0.35 0.00 0.10 -0.21 0.00 0.00 178.00 178.85 1qji h TYR 177 N 0.54 0.00 0.00 0.65 -0.00 -1.94 -1.92 116.97 114.31 1qji h TYR 177 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.32 1qji h TYR 177 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.81 1qji h TYR 177 CO -0.06 0.00 -0.81 -0.25 -0.00 0.00 0.00 178.16 177.04 1qji n ASP 178 N -2.40 0.68 -4.79 0.10 8.00 0.49 -4.66 116.55 113.97 1qji n ASP 178 Ca -0.01 0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.14 1qji n ASP 178 Cb 0.07 0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 1qji n ASP 178 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qji s LYS 179 N -3.20 4.51 0.08 -1.24 -0.14 -0.72 -4.98 119.74 114.05 1qji s LYS 179 Ca 0.05 1.15 0.04 0.00 -1.36 0.00 0.00 55.97 55.85 1qji s LYS 179 Cb 0.13 -3.04 -0.23 0.00 -1.68 0.00 0.00 37.83 33.01 1qji s LYS 179 CO 0.76 0.44 1.12 0.00 -0.76 0.00 0.00 175.35 176.91 1qji h ALA 180 N 3.76 0.35 -2.85 5.17 0.00 -1.90 -3.33 119.26 120.45 1qji h ALA 180 Ca -0.47 -1.01 -0.05 0.00 0.00 0.00 0.00 54.91 53.39 1qji h ALA 180 Cb 1.20 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1qji h ALA 180 CO 0.66 1.23 -0.08 -1.01 0.00 0.00 0.00 179.25 180.05 1qji s HIS 181 N -2.67 0.31 0.47 0.00 3.76 -1.26 -4.78 115.29 111.12 1qji s HIS 181 Ca -0.02 -0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 54.06 1qji s HIS 181 Cb 0.09 0.25 -0.08 0.00 1.11 0.00 0.00 32.58 33.95 1qji s HIS 181 CO 0.84 -1.03 0.91 0.00 -0.85 0.00 0.00 174.74 174.61 1qji s MET 182 N -3.97 3.92 0.87 1.40 0.00 -1.26 -4.85 119.30 115.40 1qji s MET 182 Ca 0.21 0.82 -0.12 0.00 0.00 0.00 0.00 55.69 56.60 1qji s MET 182 Cb -0.01 -2.22 0.11 0.00 0.00 0.00 0.00 34.83 32.71 1qji s MET 182 CO 0.09 -0.18 1.10 -0.51 0.00 0.00 0.00 175.02 175.52 1qji s LEU 183 N -3.92 2.32 0.19 0.18 1.43 -1.26 -4.92 118.68 112.70 1qji s LEU 183 Ca 0.57 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.92 1qji s LEU 183 Cb -0.10 -3.83 0.11 0.00 0.03 0.00 0.00 46.19 42.41 1qji s LEU 183 CO 0.30 -2.41 1.77 -0.61 0.23 0.00 0.00 176.35 175.63 1qji h GLN 184 N -1.39 0.99 0.00 1.70 5.75 -2.00 -2.29 115.11 117.87 1qji h GLN 184 Ca -0.49 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 57.85 1qji h GLN 184 Cb 1.28 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1qji h GLN 184 CO 0.57 0.80 0.00 0.25 -2.65 0.00 0.00 178.83 177.80 1qji n THR 185 N -4.43 1.16 0.03 2.39 -2.24 -1.26 -0.97 114.28 108.96 1qji n THR 185 Ca 0.05 0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1qji n THR 185 Cb 0.14 -1.27 -0.14 0.00 -2.10 0.00 0.00 70.33 66.96 1qji n THR 185 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1qji h ASP 186 N 0.00 0.43 -0.46 3.42 3.32 -1.77 -2.72 116.42 118.64 1qji h ASP 186 Ca 0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 57.03 56.16 1qji h ASP 186 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1qji h ASP 186 CO 0.00 1.56 0.27 0.00 -1.72 0.00 0.00 179.24 179.35 1qji h ALA 187 N 0.00 0.59 -0.07 3.45 0.00 -1.15 -2.38 119.26 119.70 1qji h ALA 187 Ca -0.26 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1qji h ALA 187 Cb 1.75 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1qji h ALA 187 CO 0.10 0.09 -0.09 -0.91 0.00 0.00 0.00 179.25 178.44 1qji h ASN 188 N 0.61 -0.28 -0.89 0.00 4.21 -1.15 -1.24 115.58 116.85 1qji h ASN 188 Ca 0.16 0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.76 1qji h ASN 188 Cb 0.02 0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 1qji h ASN 188 CO -0.03 -0.13 0.57 1.56 -1.29 0.00 0.00 177.43 178.12 1qji h GLN 189 N -0.12 1.08 0.07 0.81 4.20 -1.34 0.42 115.11 120.22 1qji h GLN 189 Ca 0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1qji h GLN 189 Cb 0.21 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1qji h GLN 189 CO -0.15 0.71 -0.03 0.82 -0.67 0.00 0.00 178.83 179.51 1qji h ILE 190 N 1.11 0.99 -0.29 2.54 2.04 -0.89 0.53 117.51 123.54 1qji h ILE 190 Ca 0.35 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1qji h ILE 190 Cb 0.01 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1qji h ILE 190 CO -0.12 0.05 0.05 0.78 0.00 0.00 0.00 178.15 178.91 1qji h ASN 191 N -0.18 0.39 -0.32 1.72 2.35 -0.99 -0.84 115.58 117.71 1qji h ASN 191 Ca -0.01 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1qji h ASN 191 Cb 0.15 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1qji h ASN 191 CO 0.02 0.42 -0.21 0.78 -1.65 0.00 0.00 177.43 176.78 1qji h ASN 192 N 0.42 0.74 -0.13 5.81 2.35 -0.71 -1.92 115.58 122.15 1qji h ASN 192 Ca 0.10 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1qji h ASN 192 Cb 0.20 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1qji h ASN 192 CO -0.00 1.01 0.05 0.25 -1.65 0.00 0.00 177.43 177.09 1qji h LEU 193 N 0.47 0.18 -1.56 1.61 5.85 -0.47 -3.13 115.31 118.26 1qji h LEU 193 Ca 0.06 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1qji h LEU 193 Cb 0.76 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1qji h LEU 193 CO 0.06 0.31 0.00 -1.22 -0.34 0.00 0.00 178.44 177.24 1qji n TYR 194 N -4.89 0.59 -0.25 1.25 4.02 -0.36 -4.58 117.16 112.94 1qji n TYR 194 Ca -0.05 -0.22 0.01 0.00 -0.01 0.00 0.00 57.90 57.62 1qji n TYR 194 Cb 0.12 -0.16 0.08 0.00 -0.02 0.00 0.00 39.34 39.36 1qji n TYR 194 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1qji h THR 195 N 1.40 0.24 -0.00 -0.72 2.02 -1.29 0.24 112.91 114.80 1qji h THR 195 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qji h THR 195 Cb 0.79 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1qji h THR 195 CO 0.11 0.00 -0.01 0.78 0.37 0.00 0.00 175.52 176.77 1qji h ASN 196 N -0.02 0.02 -0.92 4.18 4.21 -1.88 0.11 115.58 121.28 1qji h ASN 196 Ca 0.34 -0.60 0.13 0.00 1.21 0.00 0.00 56.30 57.38 1qji h ASN 196 Cb 0.55 -0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 37.67 1qji h ASN 196 CO -0.76 0.61 0.59 -0.33 -1.29 0.00 0.00 177.43 176.26 1qji h GLU 197 N -0.58 0.78 -0.18 0.81 4.39 -1.70 0.61 114.58 118.71 1qji h GLU 197 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1qji h GLU 197 Cb 0.61 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1qji h GLU 197 CO 0.00 0.52 0.00 0.00 -1.16 0.00 0.00 179.01 178.37 1qji n SER 199 N 0.82 -4.45 -0.42 0.00 7.64 0.20 -5.05 113.62 112.37 1qji n SER 199 Ca 0.17 -0.88 0.05 0.00 1.01 0.00 0.00 58.87 59.22 1qji n SER 199 Cb 0.46 -4.06 0.04 0.00 -1.01 0.00 0.00 64.21 59.65 1qji n SER 199 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21