#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 0.08 -0.09 -0.52 0.23 -0.23 -0.98 119.30 117.78 3dji s MET 2 Ca 0.00 0.18 0.02 0.00 -1.03 0.00 0.00 55.69 54.86 3dji s MET 2 Cb 0.00 -0.04 0.01 0.00 -1.53 0.00 0.00 34.83 33.27 3dji s MET 2 CO 0.00 -0.07 -0.15 0.12 -2.03 0.00 0.00 175.02 172.90 3dji s PHE 3 N 0.42 1.84 -0.05 3.16 5.36 -0.70 -0.78 117.98 127.23 3dji s PHE 3 Ca -0.03 -0.81 0.06 0.00 -0.96 0.00 0.00 56.93 55.19 3dji s PHE 3 Cb -0.05 -1.33 -0.01 0.00 -0.34 0.00 0.00 43.02 41.29 3dji s PHE 3 CO -0.02 -0.41 -0.24 0.42 -1.46 0.00 0.00 175.22 173.51 3dji s ILE 4 N 0.87 1.93 -0.14 3.12 1.01 0.20 -1.02 121.20 127.17 3dji s ILE 4 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3dji s ILE 4 Cb -0.15 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.71 3dji s ILE 4 CO 0.01 0.54 -0.12 -0.69 0.00 0.00 0.00 174.94 174.68 3dji s VAL 5 N -0.18 1.39 -0.21 2.92 1.01 0.26 -1.66 120.40 123.94 3dji s VAL 5 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3dji s VAL 5 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3dji s VAL 5 CO 0.03 0.42 -0.01 0.20 0.00 0.00 0.00 175.10 175.74 3dji s ASN 6 N 1.56 4.66 0.07 3.32 0.01 -0.29 0.79 114.94 125.06 3dji s ASN 6 Ca 0.05 -0.27 -0.08 0.00 -0.71 0.00 0.00 52.86 51.85 3dji s ASN 6 Cb -0.13 -1.80 -0.00 0.00 0.41 0.00 0.00 41.25 39.73 3dji s ASN 6 CO -0.10 0.03 0.17 0.28 -1.51 0.00 0.00 177.10 175.97 3dji s THR 7 N 1.18 0.14 -2.27 1.60 -1.32 -0.22 -1.09 115.64 113.65 3dji s THR 7 Ca 0.03 -1.13 0.28 0.00 -1.21 0.00 0.00 61.69 59.66 3dji s THR 7 Cb -0.14 -1.18 0.50 0.00 -1.51 0.00 0.00 72.50 70.17 3dji s THR 7 CO 0.01 -0.62 1.74 -0.46 -2.21 0.00 0.00 174.62 173.07 3dji n ASN 8 N 0.26 1.27 -4.78 8.08 6.94 -1.24 -1.41 115.26 124.38 3dji n ASN 8 Ca -0.16 -1.30 -0.35 0.00 -0.02 0.00 0.00 54.58 52.75 3dji n ASN 8 Cb 0.61 0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 38.05 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 -2.13 3.35 0.51 3.53 -7.23 -1.26 -4.19 120.40 112.98 3dji s VAL 9 Ca 0.35 0.82 -0.21 0.00 -1.81 0.00 0.00 61.98 61.14 3dji s VAL 9 Cb 0.21 -3.33 -0.07 0.00 0.56 0.00 0.00 36.38 33.75 3dji s VAL 9 CO 0.38 -0.20 1.14 -2.16 -0.31 0.00 0.00 175.10 173.96 3dji s PRO 10 N -3.33 3.53 0.27 4.82 0.04 -1.26 -0.50 135.00 138.57 3dji s PRO 10 Ca 0.71 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 63.42 3dji s PRO 10 Cb -0.22 -2.17 0.59 0.00 0.04 0.00 0.00 34.50 32.74 3dji s PRO 10 CO 0.26 -0.72 1.71 -0.09 0.04 0.00 0.00 177.00 178.20 3dji h ARG 11 N 1.55 0.40 -0.05 4.56 9.65 -1.94 0.96 114.38 129.52 3dji h ARG 11 Ca -0.50 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.37 3dji h ARG 11 Cb 1.26 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3dji h ARG 11 CO 0.58 0.26 0.24 0.00 2.80 0.00 0.00 179.97 183.85 3dji h ALA 12 N 1.64 1.35 -0.01 2.80 0.00 -2.03 0.56 119.26 123.57 3dji h ALA 12 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3dji h ALA 12 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dji h ALA 12 CO -0.48 -0.26 -0.15 -1.13 0.00 0.00 0.00 179.25 177.23 3dji n SER 13 N -3.10 0.68 -4.62 0.00 3.41 0.33 -4.75 113.62 105.58 3dji n SER 13 Ca -0.01 -0.71 -0.43 0.00 -0.26 0.00 0.00 58.87 57.46 3dji n SER 13 Cb 0.31 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3dji n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dji s VAL 14 N -2.47 4.53 0.46 -3.33 1.01 0.18 -4.74 120.40 116.04 3dji s VAL 14 Ca 0.28 1.40 -0.25 0.00 0.00 0.00 0.00 61.98 63.41 3dji s VAL 14 Cb 0.20 -4.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 3dji s VAL 14 CO 0.48 -0.55 1.36 -2.16 0.00 0.00 0.00 175.10 174.23 3dji s PRO 15 N 3.62 3.67 0.35 2.72 0.04 -1.26 -4.93 135.00 139.20 3dji s PRO 15 Ca 0.42 2.26 -0.29 0.00 0.04 0.00 0.00 61.00 63.43 3dji s PRO 15 Cb -0.12 -2.59 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 3dji s PRO 15 CO 0.18 -0.77 1.51 -0.25 0.04 0.00 0.00 177.00 177.71 3dji n ASP 16 N -0.28 3.74 -0.15 6.66 8.00 -1.26 -1.88 116.55 131.39 3dji n ASP 16 Ca 0.06 1.20 -0.02 0.00 0.71 0.00 0.00 54.79 56.74 3dji n ASP 16 Cb 0.43 -1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 39.92 3dji n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dji n GLY 17 N 1.02 0.48 0.24 0.44 0.00 -1.26 -4.88 105.19 101.23 3dji n GLY 17 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 0.64 -0.70 1.61 3.57 -1.75 -2.18 116.94 118.13 3dji h PHE 18 Ca -0.04 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3dji h PHE 18 Cb 0.40 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3dji h PHE 18 CO 0.23 0.80 0.45 -0.07 -2.23 0.00 0.00 178.31 177.48 3dji h LEU 19 N 0.48 0.83 -0.72 0.59 3.38 -1.90 0.10 115.31 118.06 3dji h LEU 19 Ca 0.06 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3dji h LEU 19 Cb 0.77 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3dji h LEU 19 CO 0.06 0.62 -0.47 0.28 0.09 0.00 0.00 178.44 179.03 3dji h SER 20 N 0.96 0.44 -0.39 -0.43 0.02 -1.93 -1.54 113.55 110.68 3dji h SER 20 Ca 0.26 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 3dji h SER 20 Cb -0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3dji h SER 20 CO -0.05 0.84 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.02 3dji h GLU 21 N 0.33 0.77 -0.81 3.45 5.08 -0.81 -1.96 114.58 120.63 3dji h GLU 21 Ca 0.02 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3dji h GLU 21 Cb 0.95 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3dji h GLU 21 CO 0.08 0.93 0.47 -0.07 -1.00 0.00 0.00 179.01 179.42 3dji h LEU 22 N 0.57 1.00 -0.23 1.33 3.38 -0.72 -1.27 115.31 119.37 3dji h LEU 22 Ca 0.09 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dji h LEU 22 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3dji h LEU 22 CO 0.05 0.79 0.04 0.74 0.09 0.00 0.00 178.44 180.15 3dji h THR 23 N 1.12 0.90 -0.44 0.22 2.02 -0.96 -0.43 112.91 115.34 3dji h THR 23 Ca 0.29 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 3dji h THR 23 Cb -0.01 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3dji h THR 23 CO -0.05 0.02 -0.11 1.56 0.37 0.00 0.00 175.52 177.31 3dji h GLN 24 N 0.13 0.79 -0.31 6.66 1.08 -1.08 -0.89 115.11 121.49 3dji h GLN 24 Ca 0.10 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3dji h GLN 24 Cb 0.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3dji h GLN 24 CO -0.14 0.87 0.13 1.96 -0.95 0.00 0.00 178.83 180.70 3dji h GLN 25 N 0.71 0.45 -0.19 1.46 1.08 -0.92 -1.97 115.11 115.73 3dji h GLN 25 Ca 0.12 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.14 3dji h GLN 25 Cb 0.59 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3dji h GLN 25 CO 0.04 0.45 -0.32 -0.07 -0.95 0.00 0.00 178.83 177.98 3dji h LEU 26 N 0.35 0.40 -0.36 1.46 3.38 -0.92 0.13 115.31 119.75 3dji h LEU 26 Ca 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dji h LEU 26 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dji h LEU 26 CO -0.01 0.71 0.19 0.00 0.09 0.00 0.00 178.44 179.42 3dji h ALA 27 N 1.32 0.47 -0.46 1.53 0.00 -0.90 0.21 119.26 121.43 3dji h ALA 27 Ca 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3dji h ALA 27 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3dji h ALA 27 CO 0.06 0.01 -0.01 0.37 0.00 0.00 0.00 179.25 179.68 3dji h GLN 28 N 0.46 0.82 -0.03 0.00 5.75 -1.11 0.37 115.11 121.36 3dji h GLN 28 Ca 0.13 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3dji h GLN 28 Cb 0.09 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 3dji h GLN 28 CO -0.02 0.88 0.01 0.00 -2.65 0.00 0.00 178.83 177.05 3dji h ALA 29 N 0.91 0.04 0.00 3.38 0.00 -0.48 -3.19 119.26 119.92 3dji h ALA 29 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dji h ALA 29 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dji h ALA 29 CO 0.03 -0.37 -0.44 1.79 0.00 0.00 0.00 179.25 180.25 3dji h THR 30 N -0.11 0.00 0.00 0.00 1.35 -0.59 -3.48 112.91 110.08 3dji h THR 30 Ca 0.01 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3dji h THR 30 Cb 0.17 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3dji h THR 30 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3dji n GLY 31 N 1.25 1.18 3.89 5.82 0.00 0.13 -4.94 105.19 112.52 3dji n GLY 31 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.17 3.68 0.35 1.61 1.02 -1.08 -4.99 119.74 120.17 3dji s LYS 32 Ca 0.00 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 3dji s LYS 32 Cb 0.00 -2.66 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 3dji s LYS 32 CO 0.00 0.26 1.52 -2.30 -0.92 0.00 0.00 175.35 173.91 3dji n PRO 33 N -0.61 2.66 0.31 -1.68 -0.02 -1.26 -4.52 135.00 129.88 3dji n PRO 33 Ca -0.01 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.59 3dji n PRO 33 Cb 0.53 -2.68 0.99 0.00 -0.02 0.00 0.00 33.50 32.32 3dji n PRO 33 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dji h PRO 34 N 3.55 0.00 0.00 0.52 0.13 -1.90 -1.62 132.00 132.68 3dji h PRO 34 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dji h PRO 34 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3dji h PRO 34 CO 0.69 0.02 0.00 1.96 -0.23 0.00 0.00 178.00 180.45 3dji h GLN 35 N 0.00 0.00 -0.01 0.86 7.50 -1.96 -0.78 115.11 120.72 3dji h GLN 35 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3dji h GLN 35 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 3dji h GLN 35 CO 0.00 0.00 -0.67 0.66 -1.50 0.00 0.00 178.83 177.33 3dji n TYR 36 N -2.98 0.00 -3.11 2.96 4.01 -0.61 -4.95 117.16 112.49 3dji n TYR 36 Ca -0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 3dji n TYR 36 Cb 0.07 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.02 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 -2.72 5.00 0.01 -0.72 -1.09 -0.30 -3.01 121.20 118.38 3dji s ILE 37 Ca 0.14 1.36 0.07 0.00 -2.23 0.00 0.00 60.65 59.99 3dji s ILE 37 Cb 0.17 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 3dji s ILE 37 CO 0.69 0.31 -0.19 0.00 -1.23 0.00 0.00 174.94 174.52 3dji s ALA 38 N 0.46 2.51 0.03 9.38 0.00 -0.16 -5.00 121.76 128.99 3dji s ALA 38 Ca 0.35 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.20 3dji s ALA 38 Cb -0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3dji s ALA 38 CO 0.17 0.56 -0.11 0.08 0.00 0.00 0.00 175.76 176.46 3dji s VAL 39 N -0.82 0.85 -0.08 0.00 1.01 -1.26 -1.72 120.40 118.38 3dji s VAL 39 Ca 0.13 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3dji s VAL 39 Cb -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.53 3dji s VAL 39 CO 0.03 -0.04 0.16 -2.28 0.00 0.00 0.00 175.10 172.96 3dji s HIS 40 N -0.80 -0.18 -0.13 5.22 5.04 -0.19 -4.97 115.29 119.29 3dji s HIS 40 Ca -0.01 0.57 0.02 0.00 -1.54 0.00 0.00 55.06 54.11 3dji s HIS 40 Cb -0.07 -0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.36 3dji s HIS 40 CO 0.01 -0.23 -0.21 0.08 -2.34 0.00 0.00 174.74 172.04 3dji s VAL 41 N 1.88 2.24 -0.46 0.89 1.01 -1.26 -0.57 120.40 124.13 3dji s VAL 41 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3dji s VAL 41 Cb -0.12 -1.89 0.12 0.00 0.00 0.00 0.00 36.38 34.49 3dji s VAL 41 CO -0.06 0.55 0.19 -0.69 0.00 0.00 0.00 175.10 175.09 3dji s VAL 42 N 0.62 2.47 0.89 2.92 1.01 0.24 -4.96 120.40 123.59 3dji s VAL 42 Ca -0.11 -3.00 -0.14 0.00 0.00 0.00 0.00 61.98 58.73 3dji s VAL 42 Cb -0.16 -2.75 0.14 0.00 0.00 0.00 0.00 36.38 33.60 3dji s VAL 42 CO 0.03 -0.73 1.25 -2.16 0.00 0.00 0.00 175.10 173.48 3dji s PRO 43 N 0.11 1.30 -1.32 2.72 0.04 -1.26 -1.06 135.00 135.53 3dji s PRO 43 Ca 0.15 -0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 3dji s PRO 43 Cb -0.24 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.43 3dji s PRO 43 CO -0.03 -2.01 0.33 -0.25 0.04 0.00 0.00 177.00 175.08 3dji n ASP 44 N -3.55 -4.54 -4.84 6.66 8.00 0.35 -4.84 116.55 113.79 3dji n ASP 44 Ca 0.11 -0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.14 3dji n ASP 44 Cb 0.60 -3.75 -0.05 0.00 -0.02 0.00 0.00 41.12 37.90 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 -5.56 4.02 -0.53 -1.24 -1.52 -0.50 -4.94 119.66 109.39 3dji s GLN 45 Ca 0.22 0.94 -0.23 0.00 -1.95 0.00 0.00 55.36 54.34 3dji s GLN 45 Cb -0.11 -2.19 0.04 0.00 -0.22 0.00 0.00 33.01 30.53 3dji s GLN 45 CO 0.27 -0.15 0.86 -1.17 -0.25 0.00 0.00 175.29 174.85 3dji s LEU 46 N -3.71 4.32 0.12 2.90 2.96 -1.26 -4.22 118.68 119.79 3dji s LEU 46 Ca 0.59 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3dji s LEU 46 Cb -0.10 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 3dji s LEU 46 CO 0.25 -1.12 0.14 -0.04 -1.32 0.00 0.00 176.35 174.25 3dji s MET 47 N 3.59 0.94 0.02 1.98 -1.94 -1.26 -5.06 119.30 117.56 3dji s MET 47 Ca 0.27 -1.24 -0.07 0.00 -1.71 0.00 0.00 55.69 52.93 3dji s MET 47 Cb -0.14 0.30 -0.00 0.00 2.01 0.00 0.00 34.83 37.00 3dji s MET 47 CO 0.18 -0.29 0.14 0.00 -0.01 0.00 0.00 175.02 175.03 3dji s ALA 48 N -3.97 -0.28 -0.12 3.03 0.00 -1.26 -4.60 121.76 114.55 3dji s ALA 48 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 3dji s ALA 48 Cb 0.06 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.39 3dji s ALA 48 CO -0.03 -0.25 0.07 0.12 0.00 0.00 0.00 175.76 175.67 3dji s PHE 49 N -1.80 0.21 -1.04 0.00 2.19 -0.53 -4.71 117.98 112.29 3dji s PHE 49 Ca -0.11 -0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.00 3dji s PHE 49 Cb -0.05 -0.64 0.00 0.00 -1.31 0.00 0.00 43.02 41.01 3dji s PHE 49 CO -0.00 -0.40 0.00 0.41 1.83 0.00 0.00 175.22 177.06 3dji n GLY 50 N 5.27 0.85 2.42 13.12 0.00 -1.26 -2.67 105.19 122.92 3dji n GLY 50 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.53 1.85 3.64 -0.02 0.00 -1.26 -5.03 105.19 102.85 3dji n GLY 51 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3dji n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dji s SER 52 N -3.38 4.45 -0.29 1.61 1.04 -1.09 -5.01 113.70 111.03 3dji s SER 52 Ca 0.00 -0.72 0.08 0.00 0.48 0.00 0.00 55.95 55.79 3dji s SER 52 Cb 0.00 -0.76 0.46 0.00 0.10 0.00 0.00 66.02 65.81 3dji s SER 52 CO 0.00 -0.05 1.32 -1.20 0.98 0.00 0.00 173.24 174.29 3dji n SER 53 N -0.91 3.65 -4.62 7.02 7.64 -1.26 -1.46 113.62 123.69 3dji n SER 53 Ca -0.06 -3.81 -0.29 0.00 1.01 0.00 0.00 58.87 55.72 3dji n SER 53 Cb 0.60 -0.50 0.20 0.00 -1.01 0.00 0.00 64.21 63.49 3dji n SER 53 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3dji s GLU 54 N -3.44 0.12 0.24 1.43 8.01 -1.26 -4.87 118.70 118.93 3dji s GLU 54 Ca 0.47 0.74 -0.29 0.00 0.01 0.00 0.00 54.97 55.90 3dji s GLU 54 Cb 0.40 -1.68 -0.15 0.00 -4.31 0.00 0.00 34.13 28.39 3dji s GLU 54 CO -0.01 -3.00 0.89 -2.30 0.01 0.00 0.00 175.26 170.85 3dji n PRO 55 N -4.39 0.90 -3.89 0.39 -0.02 -1.26 -4.90 135.00 121.82 3dji n PRO 55 Ca 0.05 0.32 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 3dji n PRO 55 Cb 0.56 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 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 -3.66 -1.48 -0.21 0.00 0.00 -0.46 -3.63 121.76 112.32 3dji s ALA 57 Ca 0.15 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3dji s ALA 57 Cb -0.05 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3dji s ALA 57 CO 0.09 -0.30 -0.14 -0.51 0.00 0.00 0.00 175.76 174.89 3dji s LEU 58 N -0.26 2.67 0.32 0.00 1.43 -0.25 -1.39 118.68 121.20 3dji s LEU 58 Ca -0.04 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 3dji s LEU 58 Cb -0.03 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 3dji s LEU 58 CO 0.04 -0.06 0.04 0.00 0.23 0.00 0.00 176.35 176.60 3dji s SER 60 N -3.48 -0.28 -0.19 0.00 0.01 -0.66 -1.09 113.70 108.00 3dji s SER 60 Ca 0.36 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.16 3dji s SER 60 Cb 0.08 0.50 0.05 0.00 0.21 0.00 0.00 66.02 66.86 3dji s SER 60 CO 0.15 -0.12 -0.06 -0.22 0.41 0.00 0.00 173.24 173.40 3dji s LEU 61 N 0.58 1.98 -0.13 2.44 2.96 -0.70 -0.63 118.68 125.18 3dji s LEU 61 Ca -0.04 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.01 3dji s LEU 61 Cb -0.05 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 3dji s LEU 61 CO -0.03 -0.19 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.76 3dji s HIS 62 N 1.52 3.00 -0.14 5.38 3.76 0.04 -0.82 115.29 128.03 3dji s HIS 62 Ca -0.01 -0.24 -0.18 0.00 -0.15 0.00 0.00 55.06 54.48 3dji s HIS 62 Cb -0.16 -1.89 0.05 0.00 1.11 0.00 0.00 32.58 31.68 3dji s HIS 62 CO -0.08 0.05 0.48 0.45 -0.85 0.00 0.00 174.74 174.79 3dji s SER 63 N 0.05 -0.47 -0.82 1.40 0.15 -0.64 -1.07 113.70 112.32 3dji s SER 63 Ca -0.01 0.80 -0.25 0.00 0.70 0.00 0.00 55.95 57.19 3dji s SER 63 Cb -0.14 0.83 0.05 0.00 -1.71 0.00 0.00 66.02 65.05 3dji s SER 63 CO 0.03 -0.27 1.26 -0.63 1.20 0.00 0.00 173.24 174.83 3dji s ILE 64 N -0.18 3.96 0.00 6.45 1.01 -1.26 -1.17 121.20 130.00 3dji s ILE 64 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3dji s ILE 64 Cb -0.03 -4.91 0.00 0.00 0.01 0.00 0.00 42.46 37.53 3dji s ILE 64 CO 0.02 -1.79 0.00 0.61 0.00 0.00 0.00 174.94 173.79 3dji n GLY 65 N 5.79 -1.38 2.33 6.18 0.00 -1.26 -4.94 105.19 111.91 3dji n GLY 65 Ca 0.12 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.26 -1.06 -4.91 1.61 4.76 -1.26 -4.93 118.16 111.12 3dji n LYS 66 Ca 0.00 0.82 -0.27 0.00 -2.87 0.00 0.00 58.31 55.99 3dji n LYS 66 Cb 0.00 -5.02 -0.16 0.00 -1.84 0.00 0.00 35.03 28.01 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 -2.62 1.51 0.00 -0.18 -1.09 -1.26 -4.84 121.20 112.72 3dji s ILE 67 Ca 0.00 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 3dji s ILE 67 Cb 0.00 -1.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.60 3dji s ILE 67 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 3dji n GLY 68 N 2.95 1.06 0.40 6.18 0.00 -1.26 -4.96 105.19 109.55 3dji n GLY 68 Ca -0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.40 1.49 -0.02 0.00 -2.00 0.39 103.07 102.52 3dji h GLY 69 Ca 0.00 0.62 -0.23 0.00 0.00 0.00 0.00 47.33 47.72 3dji h GLY 69 CO 0.00 -0.12 -0.96 0.00 0.00 0.00 0.00 176.54 175.46 3dji h ALA 70 N 0.82 0.32 -0.18 3.60 0.00 -1.98 -2.75 119.26 119.10 3dji h ALA 70 Ca 0.23 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3dji h ALA 70 Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dji h ALA 70 CO -0.85 0.80 -0.08 1.96 0.00 0.00 0.00 179.25 181.07 3dji h GLN 71 N 0.26 0.37 -0.60 0.00 4.20 -1.87 0.49 115.11 117.95 3dji h GLN 71 Ca -0.09 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 3dji h GLN 71 Cb 1.60 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.34 3dji h GLN 71 CO 0.17 0.66 0.17 -0.91 -0.67 0.00 0.00 178.83 178.26 3dji h ASN 72 N 0.06 0.86 -0.36 1.46 4.21 -0.28 0.16 115.58 121.68 3dji h ASN 72 Ca 0.04 -0.15 -0.10 0.00 1.21 0.00 0.00 56.30 57.30 3dji h ASN 72 Cb 0.55 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 3dji h ASN 72 CO 0.02 0.82 -0.13 -0.09 -1.29 0.00 0.00 177.43 176.77 3dji h ARG 73 N 0.89 0.81 -0.40 0.81 2.43 -1.35 -0.94 114.38 116.63 3dji h ARG 73 Ca 0.20 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 3dji h ARG 73 Cb 0.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3dji h ARG 73 CO -0.01 0.89 -0.17 1.03 -1.51 0.00 0.00 179.97 180.21 3dji h SER 74 N 0.73 0.84 -0.72 -3.80 0.87 0.18 -2.89 113.55 108.76 3dji h SER 74 Ca 0.12 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 3dji h SER 74 Cb 0.62 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 3dji h SER 74 CO 0.04 1.05 0.23 1.88 -0.53 0.00 0.00 176.83 179.50 3dji h TYR 75 N 0.64 1.15 -0.67 2.24 0.05 -0.50 -2.59 116.97 117.28 3dji h TYR 75 Ca 0.09 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 58.80 3dji h TYR 75 Cb 0.72 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 3dji h TYR 75 CO 0.06 0.91 0.40 0.77 -1.05 0.00 0.00 178.16 179.25 3dji h SER 76 N 1.06 0.64 0.68 3.88 0.02 -1.09 0.22 113.55 118.95 3dji h SER 76 Ca 0.23 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3dji h SER 76 Cb 0.29 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.72 3dji h SER 76 CO -0.01 0.43 -0.33 0.11 -1.14 0.00 0.00 176.83 175.90 3dji h LYS 77 N 0.77 -0.88 -0.16 3.45 1.57 -1.33 -0.10 116.57 119.90 3dji h LYS 77 Ca 0.28 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 3dji h LYS 77 Cb 0.08 0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 3dji h LYS 77 CO -0.13 -0.58 -0.27 1.25 -0.57 0.00 0.00 179.45 179.15 3dji h LEU 78 N -0.92 -0.83 -0.61 2.94 5.85 -1.07 -2.23 115.31 118.44 3dji h LEU 78 Ca -0.09 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3dji h LEU 78 Cb 0.70 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3dji h LEU 78 CO 0.15 -0.31 0.16 -0.07 -0.34 0.00 0.00 178.44 178.03 3dji h LEU 79 N -0.32 0.92 -0.96 2.25 3.38 -0.56 -2.54 115.31 117.48 3dji h LEU 79 Ca 0.11 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3dji h LEU 79 Cb 0.48 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3dji h LEU 79 CO -0.34 0.90 0.62 0.00 0.09 0.00 0.00 178.44 179.72 3dji h GLY 81 N 1.31 0.76 1.00 0.00 0.00 -1.17 0.22 103.07 105.18 3dji h GLY 81 Ca 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3dji h GLY 81 CO -0.07 0.35 0.30 1.41 0.00 0.00 0.00 176.54 178.54 3dji h LEU 82 N 0.65 0.85 -0.92 3.11 3.38 -1.11 -0.31 115.31 120.96 3dji h LEU 82 Ca 0.17 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3dji h LEU 82 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3dji h LEU 82 CO -0.02 0.75 -0.30 -0.07 0.09 0.00 0.00 178.44 178.89 3dji h LEU 83 N 0.89 0.45 0.11 1.67 3.38 -0.90 -0.01 115.31 120.90 3dji h LEU 83 Ca 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3dji h LEU 83 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dji h LEU 83 CO -0.03 0.73 -0.05 0.00 0.09 0.00 0.00 178.44 179.18 3dji h ALA 84 N 1.30 -0.14 0.00 1.53 0.00 -0.53 -1.69 119.26 119.73 3dji h ALA 84 Ca 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3dji h ALA 84 Cb 0.72 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3dji h ALA 84 CO 0.05 -0.26 -0.15 0.93 0.00 0.00 0.00 179.25 179.82 3dji h GLU 85 N -0.78 0.00 0.00 0.00 4.39 -1.11 -1.40 114.58 115.69 3dji h GLU 85 Ca -0.01 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.38 3dji h GLU 85 Cb 0.56 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 3dji h GLU 85 CO 0.02 0.15 -2.15 0.54 -1.16 0.00 0.00 179.01 176.42 3dji n ARG 86 N -3.16 1.26 -0.02 2.33 5.12 -0.02 -4.63 116.66 117.54 3dji n ARG 86 Ca 0.03 -0.01 0.02 0.00 -1.93 0.00 0.00 57.85 55.95 3dji n ARG 86 Cb 0.55 -1.43 0.02 0.00 -1.16 0.00 0.00 32.46 30.44 3dji n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3dji n LEU 87 N -2.62 1.61 -2.56 0.55 4.77 -0.71 -4.63 117.00 113.41 3dji n LEU 87 Ca -0.27 -1.34 -0.19 0.00 -0.03 0.00 0.00 56.01 54.18 3dji n LEU 87 Cb 1.04 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 42.13 3dji n LEU 87 CO 0.36 0.38 -0.04 0.54 -1.33 0.00 0.00 177.39 177.30 3dji n ARG 88 N 0.06 -3.86 -3.78 3.23 1.74 -0.53 -4.95 116.66 108.58 3dji n ARG 88 Ca 0.02 0.81 -0.36 0.00 -0.77 0.00 0.00 57.85 57.55 3dji n ARG 88 Cb 0.16 -5.41 -0.13 0.00 -1.02 0.00 0.00 32.46 26.06 3dji n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dji s ILE 89 N -3.07 4.19 0.35 0.55 1.01 -0.76 -4.82 121.20 118.65 3dji s ILE 89 Ca 0.22 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 3dji s ILE 89 Cb -0.10 -2.95 -0.10 0.00 0.01 0.00 0.00 42.46 39.32 3dji s ILE 89 CO 0.28 0.35 1.30 -0.94 0.00 0.00 0.00 174.94 175.93 3dji s SER 90 N 1.58 6.68 0.56 3.58 1.04 -1.26 -3.32 113.70 122.56 3dji s SER 90 Ca 0.06 2.68 0.24 0.00 0.48 0.00 0.00 55.95 59.41 3dji s SER 90 Cb -0.15 -2.65 1.52 0.00 0.10 0.00 0.00 66.02 64.85 3dji s SER 90 CO 0.03 -0.59 2.13 1.55 0.98 0.00 0.00 173.24 177.33 3dji h PRO 91 N 3.23 0.00 0.00 4.02 0.13 -1.96 -0.96 132.00 136.46 3dji h PRO 91 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dji h PRO 91 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3dji h PRO 91 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3dji n ASP 92 N -4.14 0.00 -1.10 1.44 5.75 -1.26 -2.77 116.55 114.46 3dji n ASP 92 Ca 0.01 -0.43 -0.01 0.00 -0.01 0.00 0.00 54.79 54.35 3dji n ASP 92 Cb 0.26 -0.12 0.14 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.12 1.91 -4.45 0.11 1.74 -0.36 -5.01 116.66 109.48 3dji n ARG 93 Ca 0.14 -3.39 -0.21 0.00 -0.77 0.00 0.00 57.85 53.62 3dji n ARG 93 Cb 0.12 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.26 0.88 -0.03 1.55 1.01 -1.12 -1.36 120.40 118.07 3dji s VAL 94 Ca 0.40 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3dji s VAL 94 Cb 0.38 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3dji s VAL 94 CO -0.05 0.28 -0.22 -0.31 0.00 0.00 0.00 175.10 174.79 3dji s TYR 95 N 0.30 2.08 -0.13 5.22 2.02 -0.48 -4.99 117.35 121.37 3dji s TYR 95 Ca -0.05 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3dji s TYR 95 Cb -0.10 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 3dji s TYR 95 CO 0.01 -0.11 -0.05 0.42 -1.57 0.00 0.00 175.55 174.25 3dji s ILE 96 N -0.31 0.93 -0.19 2.71 1.01 -1.26 -0.03 121.20 124.06 3dji s ILE 96 Ca 0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 3dji s ILE 96 Cb -0.11 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3dji s ILE 96 CO 0.01 0.24 0.30 0.20 0.00 0.00 0.00 174.94 175.70 3dji s ASN 97 N 1.73 6.38 -0.13 3.58 0.01 -0.25 -4.96 114.94 121.30 3dji s ASN 97 Ca 0.03 0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 52.55 3dji s ASN 97 Cb -0.14 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 3dji s ASN 97 CO -0.08 0.04 0.13 -0.31 -1.51 0.00 0.00 177.10 175.37 3dji s TYR 98 N 0.83 3.52 -0.11 2.20 1.51 -1.26 -1.72 117.35 122.32 3dji s TYR 98 Ca 0.16 0.45 0.00 0.00 -1.01 0.00 0.00 57.07 56.67 3dji s TYR 98 Cb -0.14 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 3dji s TYR 98 CO 0.05 0.62 -0.10 0.71 -1.11 0.00 0.00 175.55 175.71 3dji s TYR 99 N -0.71 1.65 -0.56 2.71 1.51 0.00 -4.97 117.35 116.97 3dji s TYR 99 Ca 0.13 -0.81 -0.18 0.00 -1.01 0.00 0.00 57.07 55.21 3dji s TYR 99 Cb -0.12 -1.29 0.11 0.00 -0.11 0.00 0.00 41.96 40.56 3dji s TYR 99 CO 0.03 -0.49 0.60 0.34 -1.11 0.00 0.00 175.55 174.92 3dji s ASP 100 N 1.39 6.19 0.16 2.29 -1.08 -1.26 -1.61 116.67 122.75 3dji s ASP 100 Ca 0.00 -1.58 -0.26 0.00 -0.52 0.00 0.00 52.55 50.19 3dji s ASP 100 Cb -0.13 -2.26 -0.08 0.00 -1.46 0.00 0.00 42.92 38.99 3dji s ASP 100 CO -0.06 -0.98 0.80 -0.04 0.52 0.00 0.00 175.17 175.41 3dji s MET 101 N 2.17 4.61 0.26 4.34 -1.94 -0.32 -4.91 119.30 123.51 3dji s MET 101 Ca 0.08 1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 54.96 3dji s MET 101 Cb -0.27 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 3dji s MET 101 CO 0.05 0.53 1.05 -0.80 -0.01 0.00 0.00 175.02 175.84 3dji s ASN 102 N -1.03 7.37 0.49 3.03 0.01 -1.26 -4.16 114.94 119.40 3dji s ASN 102 Ca 0.37 2.16 0.25 0.00 -0.71 0.00 0.00 52.86 54.93 3dji s ASN 102 Cb -0.23 -2.62 1.32 0.00 0.41 0.00 0.00 41.25 40.13 3dji s ASN 102 CO 0.27 -0.07 1.91 0.00 -1.51 0.00 0.00 177.10 177.70 3dji h ALA 103 N 4.06 2.53 0.00 0.60 0.00 -1.95 0.56 119.26 125.06 3dji h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dji h ALA 103 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3dji h ALA 103 CO 0.68 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3dji h ALA 104 N 1.62 1.00 -0.65 0.00 0.00 -1.91 -1.22 119.26 118.11 3dji h ALA 104 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3dji h ALA 104 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3dji h ALA 104 CO -0.06 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.28 3dji n ASN 105 N -2.85 4.72 -4.00 0.00 3.02 0.19 -4.83 115.26 111.51 3dji n ASN 105 Ca 0.02 -2.43 -0.30 0.00 -0.03 0.00 0.00 54.58 51.84 3dji n ASN 105 Cb 0.36 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.81 1.61 0.20 2.41 1.01 -1.21 -4.89 120.40 117.72 3dji s VAL 106 Ca 0.51 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3dji s VAL 106 Cb 0.33 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 3dji s VAL 106 CO 0.25 0.29 0.47 -0.83 0.00 0.00 0.00 175.10 175.28 3dji s GLY 107 N 1.44 2.22 -0.29 4.51 0.00 -1.26 -3.34 107.32 110.60 3dji s GLY 107 Ca 0.01 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 44.06 3dji s GLY 107 CO -0.09 -0.32 1.17 0.86 0.00 0.00 0.00 173.10 174.72 3dji s TRP 108 N -1.77 -0.33 -1.29 1.90 -0.00 0.85 -4.95 118.94 113.35 3dji s TRP 108 Ca 0.44 0.78 -0.18 0.00 -0.00 0.00 0.00 56.10 57.14 3dji s TRP 108 Cb -0.12 0.39 0.01 0.00 -0.00 0.00 0.00 33.47 33.76 3dji s TRP 108 CO 0.24 -0.16 0.54 -1.71 -0.00 0.00 0.00 176.95 175.86 3dji n ASN 109 N 2.15 -2.81 0.00 5.86 5.15 -1.26 -1.57 115.26 122.78 3dji n ASN 109 Ca -0.12 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 3dji n ASN 109 Cb 0.56 -2.38 0.00 0.00 -0.53 0.00 0.00 39.78 37.43 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 -2.58 -1.64 0.00 1.20 3.02 -1.26 -4.91 115.26 109.08 3dji n ASN 110 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3dji n ASN 110 Cb 0.62 -1.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 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 -0.20 0.00 0.00 6.41 2.88 -0.61 -5.18 113.62 116.92 3dji n SER 111 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3dji n SER 111 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 3dji n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3dji n THR 112 N 0.00 0.00 -0.30 2.46 -2.24 -1.26 -0.10 114.28 112.84 3dji n THR 112 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3dji n THR 112 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 3dji n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dji n PHE 113 N 0.00 0.25 0.52 4.78 3.72 -0.46 -4.78 117.46 121.48 3dji n PHE 113 Ca 0.00 -0.60 0.06 0.00 -0.05 0.00 0.00 57.45 56.86 3dji n PHE 113 Cb 0.00 -0.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.51 3dji n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71