#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dji s MET 2 N 0.00 0.07 -0.08 -0.52 0.23 -0.51 -1.13 119.30 117.35 3dji s MET 2 Ca 0.00 0.07 0.03 0.00 -1.03 0.00 0.00 55.69 54.76 3dji s MET 2 Cb 0.00 0.03 0.01 0.00 -1.53 0.00 0.00 34.83 33.34 3dji s MET 2 CO 0.00 -0.01 -0.16 0.12 -2.03 0.00 0.00 175.02 172.94 3dji s PHE 3 N 0.01 1.84 -0.05 3.16 5.36 -0.00 -1.11 117.98 127.18 3dji s PHE 3 Ca -0.00 -0.74 0.04 0.00 -0.96 0.00 0.00 56.93 55.27 3dji s PHE 3 Cb -0.01 -1.30 -0.00 0.00 -0.34 0.00 0.00 43.02 41.37 3dji s PHE 3 CO 0.00 -0.35 -0.19 0.42 -1.46 0.00 0.00 175.22 173.64 3dji s ILE 4 N 0.65 1.61 -0.13 3.12 1.01 0.01 -1.06 121.20 126.41 3dji s ILE 4 Ca -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3dji s ILE 4 Cb -0.16 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.94 3dji s ILE 4 CO 0.04 0.46 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 3dji s VAL 5 N 0.08 1.55 -0.18 2.92 1.01 0.10 -1.52 120.40 124.36 3dji s VAL 5 Ca -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3dji s VAL 5 Cb -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3dji s VAL 5 CO 0.03 0.45 -0.10 0.20 0.00 0.00 0.00 175.10 175.69 3dji s ASN 6 N 1.24 4.03 0.08 3.32 0.01 -0.26 0.34 114.94 123.70 3dji s ASN 6 Ca -0.01 -0.39 -0.09 0.00 -0.71 0.00 0.00 52.86 51.66 3dji s ASN 6 Cb -0.14 -1.65 -0.00 0.00 0.41 0.00 0.00 41.25 39.87 3dji s ASN 6 CO -0.06 0.06 0.19 0.28 -1.51 0.00 0.00 177.10 176.06 3dji s THR 7 N 0.97 0.13 -2.11 1.60 -1.32 -0.61 -0.63 115.64 113.66 3dji s THR 7 Ca -0.01 -1.10 0.27 0.00 -1.21 0.00 0.00 61.69 59.63 3dji s THR 7 Cb -0.15 -1.23 0.41 0.00 -1.51 0.00 0.00 72.50 70.02 3dji s THR 7 CO -0.01 -0.61 1.66 -0.46 -2.21 0.00 0.00 174.62 172.99 3dji n ASN 8 N 0.14 1.24 -4.77 8.08 6.94 -1.24 -1.44 115.26 124.22 3dji n ASN 8 Ca -0.16 -1.17 -0.39 0.00 -0.02 0.00 0.00 54.58 52.83 3dji n ASN 8 Cb 0.61 0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 38.08 3dji n ASN 8 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3dji s VAL 9 N -2.26 2.92 0.63 3.53 -7.23 -1.26 -4.03 120.40 112.71 3dji s VAL 9 Ca 0.31 0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 61.13 3dji s VAL 9 Cb 0.20 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 3dji s VAL 9 CO 0.43 0.13 1.30 -2.65 -0.31 0.00 0.00 175.10 174.00 3dji n PRO 10 N 0.36 1.19 -0.35 4.82 -0.02 -1.26 -0.81 135.00 138.93 3dji n PRO 10 Ca 0.03 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 3dji n PRO 10 Cb 0.44 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.59 3dji n PRO 10 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3dji h ARG 11 N 0.65 0.97 0.00 -0.52 9.65 -1.93 0.32 114.38 123.53 3dji h ARG 11 Ca -0.51 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.31 3dji h ARG 11 Cb 1.34 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3dji h ARG 11 CO 0.53 0.64 -0.02 0.00 2.80 0.00 0.00 179.97 183.93 3dji h ALA 12 N 1.49 1.37 -0.00 2.80 0.00 -2.03 -1.37 119.26 121.51 3dji h ALA 12 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3dji h ALA 12 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dji h ALA 12 CO -0.23 0.03 -0.18 0.43 0.00 0.00 0.00 179.25 179.30 3dji n SER 13 N -3.64 0.27 -4.59 0.00 7.64 0.10 -4.68 113.62 108.72 3dji n SER 13 Ca -0.03 -0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 3dji n SER 13 Cb 0.11 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 3dji n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dji s VAL 14 N -2.85 4.65 0.67 0.44 1.01 -0.52 -4.75 120.40 119.06 3dji s VAL 14 Ca 0.17 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 3dji s VAL 14 Cb 0.19 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3dji s VAL 14 CO 0.56 -0.52 1.25 -2.84 0.00 0.00 0.00 175.10 173.56 3dji s PRO 15 N 3.30 2.46 -0.08 2.72 0.02 -1.26 -4.93 135.00 137.23 3dji s PRO 15 Ca 0.34 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.99 3dji s PRO 15 Cb -0.12 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 3dji s PRO 15 CO 0.19 -1.63 1.27 -0.51 -0.33 0.00 0.00 177.00 175.98 3dji s ASP 16 N -1.64 6.97 0.00 2.53 -0.00 -1.26 -2.11 116.67 121.16 3dji s ASP 16 Ca 0.79 1.84 0.00 0.00 -0.00 0.00 0.00 52.55 55.18 3dji s ASP 16 Cb -0.34 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.03 3dji s ASP 16 CO 0.41 -0.68 0.00 0.61 -0.00 0.00 0.00 175.17 175.51 3dji n GLY 17 N 3.52 0.57 0.31 0.21 0.00 -1.26 -4.99 105.19 103.55 3dji n GLY 17 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3dji n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dji h PHE 18 N 0.00 0.91 -0.42 1.61 3.57 -1.80 -0.95 116.94 119.87 3dji h PHE 18 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3dji h PHE 18 Cb 0.00 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3dji h PHE 18 CO 0.00 0.41 0.10 -0.07 -2.23 0.00 0.00 178.31 176.53 3dji h LEU 19 N 0.87 0.63 -1.02 0.59 4.07 -1.94 0.18 115.31 118.69 3dji h LEU 19 Ca 0.39 -0.23 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 3dji h LEU 19 Cb 0.28 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 3dji h LEU 19 CO -0.21 0.70 0.26 -1.28 -1.08 0.00 0.00 178.44 176.83 3dji h SER 20 N 0.53 0.89 0.18 -0.43 0.87 -1.92 -0.51 113.55 113.16 3dji h SER 20 Ca 0.13 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3dji h SER 20 Cb 0.31 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3dji h SER 20 CO 0.00 0.79 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.85 3dji h GLU 21 N 0.95 -0.36 -0.69 2.24 4.81 -0.70 -1.51 114.58 119.32 3dji h GLU 21 Ca 0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3dji h GLU 21 Cb 0.18 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3dji h GLU 21 CO -0.02 -0.24 0.42 -0.07 -0.73 0.00 0.00 179.01 178.37 3dji h LEU 22 N -0.37 0.81 0.09 1.64 3.38 -0.53 -1.57 115.31 118.77 3dji h LEU 22 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dji h LEU 22 Cb 0.35 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3dji h LEU 22 CO -0.03 0.62 -0.04 0.74 0.09 0.00 0.00 178.44 179.81 3dji h THR 23 N 0.94 0.93 -0.23 0.22 2.02 -0.63 0.94 112.91 117.10 3dji h THR 23 Ca 0.25 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.39 3dji h THR 23 Cb -0.05 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3dji h THR 23 CO -0.05 0.02 0.08 1.56 0.37 0.00 0.00 175.52 177.50 3dji h GLN 24 N -0.15 0.18 -0.68 6.66 1.08 -0.84 -0.74 115.11 120.63 3dji h GLN 24 Ca -0.01 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 3dji h GLN 24 Cb 0.12 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 3dji h GLN 24 CO 0.02 0.12 0.12 1.96 -0.95 0.00 0.00 178.83 180.11 3dji h GLN 25 N 0.19 1.12 0.00 1.46 1.08 -1.17 -2.47 115.11 115.32 3dji h GLN 25 Ca 0.10 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 56.91 3dji h GLN 25 Cb 0.06 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3dji h GLN 25 CO -0.10 1.01 -0.45 -0.07 -0.95 0.00 0.00 178.83 178.28 3dji h LEU 26 N 1.05 0.00 0.10 1.46 3.38 -0.62 -0.62 115.31 120.06 3dji h LEU 26 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dji h LEU 26 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dji h LEU 26 CO 0.01 0.45 -0.05 0.00 0.09 0.00 0.00 178.44 178.94 3dji h ALA 27 N 1.55 -0.13 -0.13 1.53 0.00 -0.75 -0.29 119.26 121.04 3dji h ALA 27 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dji h ALA 27 Cb 0.79 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3dji h ALA 27 CO 0.06 -0.52 0.03 0.37 0.00 0.00 0.00 179.25 179.19 3dji h GLN 28 N -0.24 0.20 -0.27 0.00 4.15 -1.31 0.36 115.11 118.01 3dji h GLN 28 Ca -0.01 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.38 3dji h GLN 28 Cb 0.20 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3dji h GLN 28 CO 0.02 0.37 0.10 0.00 -1.93 0.00 0.00 178.83 177.39 3dji h ALA 29 N 0.83 0.31 0.00 3.38 0.00 -1.05 -3.01 119.26 119.71 3dji h ALA 29 Ca 0.04 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3dji h ALA 29 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dji h ALA 29 CO 0.00 -0.30 -0.75 1.79 0.00 0.00 0.00 179.25 179.98 3dji h THR 30 N 0.23 0.40 0.00 0.00 1.35 -1.07 -3.48 112.91 110.34 3dji h THR 30 Ca 0.12 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3dji h THR 30 Cb 0.07 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3dji h THR 30 CO -0.11 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3dji n GLY 31 N 1.23 1.04 3.85 5.82 0.00 0.13 -4.94 105.19 112.32 3dji n GLY 31 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3dji n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dji s LYS 32 N -0.31 3.93 0.22 1.61 -0.14 -1.11 -4.97 119.74 118.97 3dji s LYS 32 Ca 0.00 0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 55.09 3dji s LYS 32 Cb 0.00 -2.25 -0.10 0.00 -1.68 0.00 0.00 37.83 33.80 3dji s LYS 32 CO 0.00 -0.13 1.40 -2.14 -0.76 0.00 0.00 175.35 173.72 3dji s PRO 33 N -3.80 4.31 0.44 -1.68 0.02 -1.26 -4.54 135.00 128.49 3dji s PRO 33 Ca 0.56 2.21 0.21 0.00 0.02 0.00 0.00 61.00 64.01 3dji s PRO 33 Cb -0.10 -3.14 1.18 0.00 0.02 0.00 0.00 34.50 32.45 3dji s PRO 33 CO 0.28 -0.37 1.84 -1.35 -0.33 0.00 0.00 177.00 177.07 3dji h PRO 34 N 5.28 0.31 -0.11 5.54 0.11 -1.92 0.72 132.00 141.93 3dji h PRO 34 Ca -0.45 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3dji h PRO 34 Cb 1.22 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dji h PRO 34 CO 0.78 0.20 0.18 -0.56 -0.21 0.00 0.00 178.00 178.40 3dji h GLN 35 N 0.32 0.00 -0.23 1.05 3.07 -1.98 -0.57 115.11 116.77 3dji h GLN 35 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.23 3dji h GLN 35 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.94 3dji h GLN 35 CO -0.17 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.41 3dji n TYR 36 N -3.46 0.29 -3.39 0.06 4.01 0.24 -4.94 117.16 109.97 3dji n TYR 36 Ca -0.00 -0.17 -0.38 0.00 -0.16 0.00 0.00 57.90 57.18 3dji n TYR 36 Cb 0.28 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3dji n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3dji s ILE 37 N -1.43 5.20 -0.07 -0.72 1.01 -0.22 -2.04 121.20 122.94 3dji s ILE 37 Ca 0.29 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.68 3dji s ILE 37 Cb 0.18 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 3dji s ILE 37 CO 0.26 0.26 -0.15 0.00 0.00 0.00 0.00 174.94 175.31 3dji s ALA 38 N 1.25 2.62 0.03 9.38 0.00 -0.29 -5.00 121.76 129.76 3dji s ALA 38 Ca 0.19 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3dji s ALA 38 Cb -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3dji s ALA 38 CO 0.08 0.47 -0.16 0.14 0.00 0.00 0.00 175.76 176.29 3dji s VAL 39 N -0.44 1.27 -0.12 0.00 -7.23 -1.26 -0.82 120.40 111.80 3dji s VAL 39 Ca 0.05 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.17 3dji s VAL 39 Cb -0.12 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 35.76 3dji s VAL 39 CO 0.02 0.10 0.25 -2.28 -0.31 0.00 0.00 175.10 172.88 3dji s HIS 40 N -0.77 -0.38 -0.11 2.82 2.46 -0.22 -4.96 115.29 114.13 3dji s HIS 40 Ca 0.04 0.90 0.04 0.00 0.47 0.00 0.00 55.06 56.50 3dji s HIS 40 Cb -0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.34 3dji s HIS 40 CO 0.01 -0.32 -0.23 0.08 -2.47 0.00 0.00 174.74 171.81 3dji s VAL 41 N 2.13 2.04 -0.43 0.89 1.01 -1.26 0.01 120.40 124.79 3dji s VAL 41 Ca -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3dji s VAL 41 Cb -0.12 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.60 3dji s VAL 41 CO -0.08 0.55 0.16 -0.69 0.00 0.00 0.00 175.10 175.04 3dji s VAL 42 N 0.43 2.51 0.93 2.92 1.01 0.15 -4.96 120.40 123.40 3dji s VAL 42 Ca -0.17 -2.74 -0.13 0.00 0.00 0.00 0.00 61.98 58.94 3dji s VAL 42 Cb -0.18 -2.79 0.21 0.00 0.00 0.00 0.00 36.38 33.62 3dji s VAL 42 CO 0.07 -0.69 1.27 -0.81 0.00 0.00 0.00 175.10 174.94 3dji n PRO 43 N 3.79 -1.05 -3.05 2.72 -0.04 -1.26 -1.58 135.00 134.53 3dji n PRO 43 Ca 0.04 -2.23 -0.21 0.00 -0.04 0.00 0.00 63.50 61.07 3dji n PRO 43 Cb 0.38 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 3dji n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dji n ASP 44 N -3.65 -4.53 -4.87 3.54 8.00 0.01 -4.85 116.55 110.20 3dji n ASP 44 Ca 0.17 -0.23 -0.31 0.00 0.71 0.00 0.00 54.79 55.13 3dji n ASP 44 Cb 0.59 -3.73 -0.04 0.00 -0.02 0.00 0.00 41.12 37.92 3dji n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3dji s GLN 45 N -5.69 3.83 -0.65 -1.24 -1.52 -0.52 -4.95 119.66 108.92 3dji s GLN 45 Ca 0.28 0.48 -0.22 0.00 -1.95 0.00 0.00 55.36 53.96 3dji s GLN 45 Cb -0.14 -2.43 0.08 0.00 -0.22 0.00 0.00 33.01 30.30 3dji s GLN 45 CO 0.34 0.05 0.91 -1.17 -0.25 0.00 0.00 175.29 175.17 3dji s LEU 46 N -3.55 4.60 0.15 2.90 2.96 -1.26 -4.19 118.68 120.29 3dji s LEU 46 Ca 0.51 -1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 3dji s LEU 46 Cb -0.10 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 3dji s LEU 46 CO 0.27 -1.37 0.24 0.00 -1.32 0.00 0.00 176.35 174.17 3dji s MET 47 N 3.76 1.08 0.02 1.98 0.23 -1.26 -5.08 119.30 120.04 3dji s MET 47 Ca 0.20 -1.18 -0.01 0.00 -1.03 0.00 0.00 55.69 53.67 3dji s MET 47 Cb -0.18 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.45 3dji s MET 47 CO 0.09 -0.38 -0.01 0.00 -2.03 0.00 0.00 175.02 172.69 3dji s ALA 48 N -3.96 0.10 -0.10 3.16 0.00 -1.26 -4.68 121.76 115.01 3dji s ALA 48 Ca 0.16 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 3dji s ALA 48 Cb 0.04 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.36 3dji s ALA 48 CO -0.01 -0.18 0.04 0.12 0.00 0.00 0.00 175.76 175.72 3dji s PHE 49 N -1.62 0.52 -1.18 0.00 2.19 0.40 -4.70 117.98 113.59 3dji s PHE 49 Ca -0.14 -0.23 0.00 0.00 0.33 0.00 0.00 56.93 56.89 3dji s PHE 49 Cb -0.09 -0.76 0.00 0.00 -1.31 0.00 0.00 43.02 40.87 3dji s PHE 49 CO -0.01 -0.38 0.00 0.41 1.83 0.00 0.00 175.22 177.06 3dji n GLY 50 N 5.18 0.94 2.30 13.12 0.00 -1.26 -1.63 105.19 123.84 3dji n GLY 50 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3dji n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dji n GLY 51 N -1.42 1.55 3.86 -0.02 0.00 -1.26 -5.03 105.19 102.87 3dji n GLY 51 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3dji n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dji s SER 52 N -3.25 6.12 -0.18 1.61 0.15 -0.65 -5.02 113.70 112.48 3dji s SER 52 Ca 0.00 0.27 0.16 0.00 0.70 0.00 0.00 55.95 57.08 3dji s SER 52 Cb 0.00 -1.86 0.78 0.00 -1.71 0.00 0.00 66.02 63.23 3dji s SER 52 CO 0.00 0.26 1.71 -1.54 1.20 0.00 0.00 173.24 174.86 3dji n SER 53 N 0.96 5.33 -4.73 5.45 3.41 -1.26 -0.45 113.62 122.34 3dji n SER 53 Ca -0.11 -2.71 -0.30 0.00 -0.26 0.00 0.00 58.87 55.49 3dji n SER 53 Cb 0.52 -0.64 0.13 0.00 -0.26 0.00 0.00 64.21 63.97 3dji n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dji s GLU 54 N -2.35 1.33 0.13 4.33 8.01 -1.26 -4.88 118.70 124.01 3dji s GLU 54 Ca 0.54 0.79 -0.35 0.00 0.01 0.00 0.00 54.97 55.96 3dji s GLU 54 Cb 0.38 -1.82 -0.16 0.00 -4.31 0.00 0.00 34.13 28.22 3dji s GLU 54 CO 0.20 -2.18 1.21 -2.30 0.01 0.00 0.00 175.26 172.20 3dji n PRO 55 N -3.84 1.03 -3.98 0.39 -0.02 -1.26 -4.84 135.00 122.48 3dji n PRO 55 Ca 0.07 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.82 3dji n PRO 55 Cb 0.55 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 3dji n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dji s ALA 57 N -3.48 -1.45 -0.15 0.00 0.00 -0.58 -3.63 121.76 112.48 3dji s ALA 57 Ca 0.23 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3dji s ALA 57 Cb -0.02 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3dji s ALA 57 CO 0.12 -0.30 -0.21 -0.51 0.00 0.00 0.00 175.76 174.86 3dji s LEU 58 N -0.25 2.08 0.21 0.00 1.43 0.19 -2.08 118.68 120.27 3dji s LEU 58 Ca -0.04 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3dji s LEU 58 Cb -0.03 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 3dji s LEU 58 CO 0.03 0.06 -0.08 0.00 0.23 0.00 0.00 176.35 176.60 3dji s SER 60 N -3.30 0.03 -0.19 0.00 0.01 -0.58 -0.70 113.70 108.97 3dji s SER 60 Ca 0.24 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.53 3dji s SER 60 Cb 0.03 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.27 3dji s SER 60 CO 0.07 -0.06 -0.12 -0.22 0.41 0.00 0.00 173.24 173.32 3dji s LEU 61 N 0.46 2.15 -0.09 2.44 2.96 -0.65 -0.81 118.68 125.13 3dji s LEU 61 Ca -0.04 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 3dji s LEU 61 Cb -0.05 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 3dji s LEU 61 CO -0.01 -0.11 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.79 3dji s HIS 62 N 1.40 2.83 -0.03 5.38 3.76 -0.27 -1.26 115.29 127.11 3dji s HIS 62 Ca 0.01 -0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 54.38 3dji s HIS 62 Cb -0.15 -1.76 0.05 0.00 1.11 0.00 0.00 32.58 31.82 3dji s HIS 62 CO -0.09 0.05 0.49 0.45 -0.85 0.00 0.00 174.74 174.79 3dji s SER 63 N -0.23 -0.42 -0.72 1.40 0.15 -0.61 -1.43 113.70 111.83 3dji s SER 63 Ca 0.02 0.39 -0.20 0.00 0.70 0.00 0.00 55.95 56.86 3dji s SER 63 Cb -0.13 0.42 0.10 0.00 -1.71 0.00 0.00 66.02 64.71 3dji s SER 63 CO 0.03 -0.53 0.92 -0.63 1.20 0.00 0.00 173.24 174.23 3dji s ILE 64 N -1.28 4.64 0.00 6.45 1.01 -1.26 -0.22 121.20 130.53 3dji s ILE 64 Ca -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.54 3dji s ILE 64 Cb -0.03 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.80 3dji s ILE 64 CO 0.07 -1.35 0.00 0.61 0.00 0.00 0.00 174.94 174.26 3dji n GLY 65 N 5.30 -2.27 2.43 6.18 0.00 -1.26 -4.95 105.19 110.62 3dji n GLY 65 Ca 0.03 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 3dji n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dji n LYS 66 N -0.24 -1.67 -4.82 1.61 4.76 -1.26 -4.90 118.16 111.64 3dji n LYS 66 Ca 0.00 1.02 -0.26 0.00 -2.87 0.00 0.00 58.31 56.20 3dji n LYS 66 Cb 0.00 -5.62 -0.16 0.00 -1.84 0.00 0.00 35.03 27.40 3dji n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dji s ILE 67 N -2.94 1.43 -0.66 -0.18 -1.09 -1.26 -4.86 121.20 111.63 3dji s ILE 67 Ca 0.00 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 3dji s ILE 67 Cb 0.00 -1.24 0.00 0.00 -1.58 0.00 0.00 42.46 39.64 3dji s ILE 67 CO 0.00 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3dji n GLY 68 N 3.31 -1.31 0.33 6.18 0.00 -1.26 -4.98 105.19 107.45 3dji n GLY 68 Ca -0.19 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 3dji n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dji h GLY 69 N 0.00 -1.19 1.80 -0.02 0.00 -1.99 -0.30 103.07 101.36 3dji h GLY 69 Ca 0.00 0.62 -0.24 0.00 0.00 0.00 0.00 47.33 47.71 3dji h GLY 69 CO 0.00 -0.33 -1.11 0.00 0.00 0.00 0.00 176.54 175.10 3dji h ALA 70 N -0.83 0.24 -0.66 3.60 0.00 -1.99 -3.08 119.26 116.54 3dji h ALA 70 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 54.91 54.04 3dji h ALA 70 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3dji h ALA 70 CO -0.21 1.08 0.43 1.96 0.00 0.00 0.00 179.25 182.51 3dji h GLN 71 N 0.05 0.85 -0.05 0.00 4.20 -1.93 -0.89 115.11 117.33 3dji h GLN 71 Ca -0.08 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 3dji h GLN 71 Cb 1.85 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.42 3dji h GLN 71 CO 0.17 0.56 -0.41 -0.91 -0.67 0.00 0.00 178.83 177.57 3dji h ASN 72 N 0.87 0.12 -0.12 1.46 2.35 -1.11 0.05 115.58 119.21 3dji h ASN 72 Ca 0.25 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3dji h ASN 72 Cb -0.08 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3dji h ASN 72 CO -0.06 0.52 -0.33 0.03 -1.65 0.00 0.00 177.43 175.94 3dji h ARG 73 N 0.10 0.61 -0.19 0.81 3.08 -1.31 -1.53 114.38 115.95 3dji h ARG 73 Ca 0.01 -0.28 -0.21 0.00 0.07 0.00 0.00 59.98 59.56 3dji h ARG 73 Cb 0.77 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.82 3dji h ARG 73 CO 0.06 0.86 -0.71 1.03 -1.07 0.00 0.00 179.97 180.14 3dji h SER 74 N 0.52 0.94 -0.71 7.04 0.87 -0.72 -2.39 113.55 119.10 3dji h SER 74 Ca 0.06 -0.59 -0.06 0.00 -1.23 0.00 0.00 61.79 59.98 3dji h SER 74 Cb 0.82 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3dji h SER 74 CO 0.07 1.38 0.22 1.88 -0.53 0.00 0.00 176.83 179.86 3dji h TYR 75 N 0.57 1.14 -0.46 2.24 0.05 -0.91 -2.01 116.97 117.60 3dji h TYR 75 Ca -0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 3dji h TYR 75 Cb 1.33 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3dji h TYR 75 CO 0.08 0.91 0.24 0.77 -1.05 0.00 0.00 178.16 179.11 3dji h SER 76 N 1.04 0.58 -0.13 3.88 0.02 -1.22 0.27 113.55 117.99 3dji h SER 76 Ca 0.23 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3dji h SER 76 Cb 0.30 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3dji h SER 76 CO -0.01 0.51 0.06 0.50 -1.14 0.00 0.00 176.83 176.75 3dji h LYS 77 N 0.60 0.12 0.67 3.45 3.64 -1.24 0.07 116.57 123.88 3dji h LYS 77 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3dji h LYS 77 Cb 0.07 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3dji h LYS 77 CO -0.02 0.08 -0.32 1.25 -2.27 0.00 0.00 179.45 178.16 3dji h LEU 78 N 0.13 -0.77 -0.60 5.20 7.12 -1.08 -1.99 115.31 123.31 3dji h LEU 78 Ca 0.05 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 3dji h LEU 78 Cb 0.01 0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 3dji h LEU 78 CO -0.04 -0.45 0.34 -0.07 -0.13 0.00 0.00 178.44 178.09 3dji h LEU 79 N -1.06 0.75 -1.45 2.25 3.38 -0.45 -0.49 115.31 118.24 3dji h LEU 79 Ca -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3dji h LEU 79 Cb 0.73 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3dji h LEU 79 CO 0.15 0.62 0.18 0.00 0.09 0.00 0.00 178.44 179.49 3dji h GLY 81 N 0.68 0.02 1.26 0.00 0.00 -0.43 0.15 103.07 104.76 3dji h GLY 81 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3dji h GLY 81 CO -0.02 0.01 0.09 1.41 0.00 0.00 0.00 176.54 178.03 3dji h LEU 82 N -0.16 0.87 -0.49 3.11 3.38 -0.82 -0.84 115.31 120.36 3dji h LEU 82 Ca 0.00 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3dji h LEU 82 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dji h LEU 82 CO -0.00 0.88 -0.19 -0.07 0.09 0.00 0.00 178.44 179.15 3dji h LEU 83 N 0.86 1.01 -0.20 1.67 3.38 -1.09 0.17 115.31 121.11 3dji h LEU 83 Ca 0.18 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3dji h LEU 83 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dji h LEU 83 CO 0.01 1.17 0.07 0.00 0.09 0.00 0.00 178.44 179.78 3dji h ALA 84 N 0.88 0.26 0.06 1.53 0.00 -0.61 0.27 119.26 121.65 3dji h ALA 84 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dji h ALA 84 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3dji h ALA 84 CO 0.06 -0.13 -0.03 1.49 0.00 0.00 0.00 179.25 180.64 3dji h GLU 85 N 0.16 -0.08 0.07 0.00 4.57 -1.09 -1.72 114.58 116.49 3dji h GLU 85 Ca 0.07 0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 57.99 3dji h GLU 85 Cb 0.20 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3dji h GLU 85 CO -0.00 0.44 -1.24 0.00 -1.18 0.00 0.00 179.01 177.03 3dji h ARG 86 N -0.67 0.15 -0.01 1.92 2.47 -0.74 -3.36 114.38 114.15 3dji h ARG 86 Ca -0.01 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 3dji h ARG 86 Cb 0.56 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 3dji h ARG 86 CO 0.01 1.07 -0.22 1.28 0.56 0.00 0.00 179.97 182.68 3dji n LEU 87 N -3.42 1.30 -2.44 3.04 4.77 -0.01 -4.57 117.00 115.67 3dji n LEU 87 Ca -0.07 -0.77 -0.18 0.00 -0.03 0.00 0.00 56.01 54.95 3dji n LEU 87 Cb 1.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.11 3dji n LEU 87 CO 0.50 0.26 -0.04 0.54 -1.33 0.00 0.00 177.39 177.32 3dji n ARG 88 N -0.20 -3.62 -3.81 3.23 5.12 -0.62 -4.96 116.66 111.79 3dji n ARG 88 Ca 0.05 0.78 -0.36 0.00 -1.93 0.00 0.00 57.85 56.38 3dji n ARG 88 Cb 0.23 -5.30 -0.10 0.00 -1.16 0.00 0.00 32.46 26.13 3dji n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3dji s ILE 89 N -3.04 4.94 0.24 0.55 1.01 -1.09 -4.95 121.20 118.86 3dji s ILE 89 Ca 0.21 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3dji s ILE 89 Cb -0.09 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 3dji s ILE 89 CO 0.26 0.38 1.46 -0.55 0.00 0.00 0.00 174.94 176.49 3dji s SER 90 N 0.93 6.64 0.50 3.58 0.15 -1.26 -3.38 113.70 120.86 3dji s SER 90 Ca 0.05 2.66 0.21 0.00 0.70 0.00 0.00 55.95 59.57 3dji s SER 90 Cb -0.13 -2.62 1.27 0.00 -1.71 0.00 0.00 66.02 62.83 3dji s SER 90 CO 0.03 -0.72 1.99 -0.65 1.20 0.00 0.00 173.24 175.09 3dji h PRO 91 N 5.30 0.13 0.00 5.44 0.11 -1.96 -0.02 132.00 141.00 3dji h PRO 91 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dji h PRO 91 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dji h PRO 91 CO 0.80 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 3dji n ASP 92 N -4.42 0.00 -0.64 -2.05 5.75 -1.26 -2.81 116.55 111.12 3dji n ASP 92 Ca 0.09 -0.40 0.06 0.00 -0.01 0.00 0.00 54.79 54.54 3dji n ASP 92 Cb 0.51 -0.09 0.19 0.00 -1.03 0.00 0.00 41.12 40.70 3dji n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dji n ARG 93 N -1.09 1.43 -4.40 0.11 1.74 -0.02 -5.00 116.66 109.42 3dji n ARG 93 Ca 0.12 -3.13 -0.21 0.00 -0.77 0.00 0.00 57.85 53.86 3dji n ARG 93 Cb 0.09 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 29.90 3dji n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dji s VAL 94 N -2.92 0.83 -0.03 1.55 1.01 -1.13 -1.53 120.40 118.18 3dji s VAL 94 Ca 0.37 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.07 3dji s VAL 94 Cb 0.36 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3dji s VAL 94 CO -0.07 0.27 -0.24 -0.31 0.00 0.00 0.00 175.10 174.75 3dji s TYR 95 N 0.45 2.17 -0.11 5.22 2.02 -0.88 -5.00 117.35 121.21 3dji s TYR 95 Ca -0.08 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3dji s TYR 95 Cb -0.12 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3dji s TYR 95 CO 0.01 -0.08 -0.02 0.42 -1.57 0.00 0.00 175.55 174.30 3dji s ILE 96 N -0.44 0.69 -0.14 2.71 1.01 -1.26 -0.19 121.20 123.59 3dji s ILE 96 Ca 0.06 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 3dji s ILE 96 Cb -0.10 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3dji s ILE 96 CO 0.00 0.21 0.44 0.20 0.00 0.00 0.00 174.94 175.80 3dji s ASN 97 N 1.83 6.62 -0.11 3.58 0.01 0.12 -4.95 114.94 122.03 3dji s ASN 97 Ca 0.04 0.74 -0.06 0.00 -0.71 0.00 0.00 52.86 52.87 3dji s ASN 97 Cb -0.13 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 3dji s ASN 97 CO -0.07 0.00 0.10 -0.31 -1.51 0.00 0.00 177.10 175.31 3dji s TYR 98 N 0.69 3.46 -0.08 2.20 1.51 -1.26 -1.64 117.35 122.23 3dji s TYR 98 Ca 0.24 0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.72 3dji s TYR 98 Cb -0.15 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3dji s TYR 98 CO 0.09 0.64 -0.05 0.71 -1.11 0.00 0.00 175.55 175.83 3dji s TYR 99 N -0.93 1.03 -0.46 2.71 1.51 -0.39 -4.98 117.35 115.84 3dji s TYR 99 Ca 0.14 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 3dji s TYR 99 Cb -0.12 -0.94 0.05 0.00 -0.11 0.00 0.00 41.96 40.84 3dji s TYR 99 CO 0.03 -0.35 0.47 0.34 -1.11 0.00 0.00 175.55 174.93 3dji s ASP 100 N 1.53 6.18 0.01 2.29 -1.08 -1.26 -1.58 116.67 122.76 3dji s ASP 100 Ca -0.00 -0.95 -0.19 0.00 -0.52 0.00 0.00 52.55 50.89 3dji s ASP 100 Cb -0.13 -2.23 -0.06 0.00 -1.46 0.00 0.00 42.92 39.05 3dji s ASP 100 CO -0.04 -0.68 0.54 -0.04 0.52 0.00 0.00 175.17 175.47 3dji s MET 101 N 2.10 4.22 0.33 4.34 -1.94 0.69 -4.92 119.30 124.11 3dji s MET 101 Ca 0.10 0.65 -0.27 0.00 -1.71 0.00 0.00 55.69 54.46 3dji s MET 101 Cb -0.20 -3.30 -0.09 0.00 2.01 0.00 0.00 34.83 33.25 3dji s MET 101 CO 0.11 0.49 1.05 -0.80 -0.01 0.00 0.00 175.02 175.85 3dji s ASN 102 N -0.54 7.09 0.48 3.03 0.01 -1.26 -4.23 114.94 119.52 3dji s ASN 102 Ca 0.29 2.10 0.20 0.00 -0.71 0.00 0.00 52.86 54.74 3dji s ASN 102 Cb -0.18 -2.60 1.23 0.00 0.41 0.00 0.00 41.25 40.10 3dji s ASN 102 CO 0.16 -0.26 1.97 0.00 -1.51 0.00 0.00 177.10 177.47 3dji h ALA 103 N 3.23 2.30 0.00 0.60 0.00 -1.95 0.57 119.26 124.02 3dji h ALA 103 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dji h ALA 103 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dji h ALA 103 CO 0.65 -0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 3dji h ALA 104 N 1.70 1.01 -0.58 0.00 0.00 -1.91 -2.43 119.26 117.05 3dji h ALA 104 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dji h ALA 104 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dji h ALA 104 CO -0.05 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.31 3dji n ASN 105 N -3.13 5.39 -3.90 0.00 3.02 0.19 -4.82 115.26 112.01 3dji n ASN 105 Ca 0.00 -2.80 -0.30 0.00 -0.03 0.00 0.00 54.58 51.46 3dji n ASN 105 Cb 0.29 -0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 3dji n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dji s VAL 106 N -2.50 1.34 0.12 2.41 1.01 -1.11 -4.91 120.40 116.76 3dji s VAL 106 Ca 0.53 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 3dji s VAL 106 Cb 0.39 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 3dji s VAL 106 CO 0.18 -0.11 0.52 -0.83 0.00 0.00 0.00 175.10 174.86 3dji s GLY 107 N 1.48 2.46 -0.28 4.51 0.00 -1.26 -2.43 107.32 111.80 3dji s GLY 107 Ca -0.05 -0.16 -0.25 0.00 0.00 0.00 0.00 44.72 44.27 3dji s GLY 107 CO -0.07 0.13 1.04 0.86 0.00 0.00 0.00 173.10 175.07 3dji s TRP 108 N -1.39 -0.46 -1.26 1.90 -0.00 0.63 -4.97 118.94 113.38 3dji s TRP 108 Ca 0.35 1.12 -0.14 0.00 -0.00 0.00 0.00 56.10 57.43 3dji s TRP 108 Cb -0.15 0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.69 3dji s TRP 108 CO 0.18 -0.22 0.61 -1.71 -0.00 0.00 0.00 176.95 175.81 3dji n ASN 109 N 2.26 -3.03 -0.61 5.86 5.15 -1.26 -1.73 115.26 121.90 3dji n ASN 109 Ca -0.13 -1.07 -0.08 0.00 -0.60 0.00 0.00 54.58 52.71 3dji n ASN 109 Cb 0.56 -2.94 -0.03 0.00 -0.53 0.00 0.00 39.78 36.84 3dji n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3dji n ASN 110 N -2.72 -5.39 -0.32 1.20 3.02 -1.26 -4.91 115.26 104.88 3dji n ASN 110 Ca -0.19 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3dji n ASN 110 Cb 0.63 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 3dji n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3dji n SER 111 N -0.88 0.00 -4.37 6.41 2.88 -0.71 -5.18 113.62 111.77 3dji n SER 111 Ca -0.08 -0.32 -0.23 0.00 -1.33 0.00 0.00 58.87 56.91 3dji n SER 111 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 3dji n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dji s THR 112 N -2.30 1.02 -2.15 2.46 -4.23 -1.26 -0.27 115.64 108.91 3dji s THR 112 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3dji s THR 112 Cb 0.00 -2.63 0.39 0.00 1.34 0.00 0.00 72.50 71.60 3dji s THR 112 CO 0.00 0.00 1.43 0.49 -0.54 0.00 0.00 174.62 176.00 3dji n PHE 113 N -0.79 0.29 0.71 3.99 3.72 -0.93 -4.89 117.46 119.56 3dji n PHE 113 Ca -0.04 -0.14 0.06 0.00 -0.05 0.00 0.00 57.45 57.27 3dji n PHE 113 Cb 0.66 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.54 3dji n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71