#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 0.64 -0.11 0.54 1.75 -0.25 -0.97 119.30 120.91 3dji s MET 2 Ca 0.00 -0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.37 3dji s MET 2 Cb 0.00 -0.68 0.02 0.00 2.84 0.00 0.00 34.83 37.01 3dji s MET 2 CO 0.00 -0.05 -0.13 0.12 -0.65 0.00 0.00 175.02 174.31 3dji s PHE 3 N 0.73 1.78 -0.03 4.11 5.36 0.32 -0.80 117.98 129.44 3dji s PHE 3 Ca -0.09 -0.84 0.07 0.00 -0.96 0.00 0.00 56.93 55.12 3dji s PHE 3 Cb -0.12 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 41.22 3dji s PHE 3 CO -0.00 -0.47 -0.26 0.42 -1.46 0.00 0.00 175.22 173.46 3dji s ILE 4 N 1.14 2.04 -0.12 3.12 1.01 -0.50 -1.25 121.20 126.63 3dji s ILE 4 Ca -0.04 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 3dji s ILE 4 Cb -0.14 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.65 3dji s ILE 4 CO -0.03 0.57 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 3dji s VAL 5 N -0.48 1.21 -0.22 2.92 1.01 0.57 -1.83 120.40 123.58 3dji s VAL 5 Ca 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3dji s VAL 5 Cb -0.11 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3dji s VAL 5 CO 0.00 0.40 -0.00 0.20 0.00 0.00 0.00 175.10 175.70 3dji s ASN 6 N 1.60 4.64 0.04 3.32 0.01 -0.35 -0.10 114.94 124.11 3dji s ASN 6 Ca 0.04 -0.29 -0.02 0.00 -0.71 0.00 0.00 52.86 51.88 3dji s ASN 6 Cb -0.13 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 3dji s ASN 6 CO -0.09 0.00 -0.00 0.28 -1.51 0.00 0.00 177.10 175.78 3dji s THR 7 N 1.37 0.18 -2.16 1.60 -1.32 -0.59 -1.05 115.64 113.66 3dji s THR 7 Ca 0.05 -1.45 0.26 0.00 -1.21 0.00 0.00 61.69 59.34 3dji s THR 7 Cb -0.15 -1.11 0.33 0.00 -1.51 0.00 0.00 72.50 70.06 3dji s THR 7 CO 0.00 -0.80 1.55 -0.46 -2.21 0.00 0.00 174.62 172.69 3dji n ASN 8 N 0.57 1.48 -4.77 8.08 6.94 -1.22 -1.44 115.26 124.89 3dji n ASN 8 Ca -0.17 -1.27 -0.37 0.00 -0.02 0.00 0.00 54.58 52.74 3dji n ASN 8 Cb 0.59 0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 38.11 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 -2.28 3.26 0.52 3.53 -7.23 -1.26 -4.15 120.40 112.80 3dji s VAL 9 Ca 0.29 0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 61.24 3dji s VAL 9 Cb 0.20 -3.52 -0.08 0.00 0.56 0.00 0.00 36.38 33.54 3dji s VAL 9 CO 0.44 0.03 0.94 -2.65 -0.31 0.00 0.00 175.10 173.55 3dji n PRO 10 N -0.19 1.07 -0.30 4.82 -0.02 -1.26 -0.90 135.00 138.23 3dji n PRO 10 Ca 0.06 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3dji n PRO 10 Cb 0.48 -2.08 0.20 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.92 1.09 0.00 -0.52 9.65 -1.93 -0.54 114.38 123.06 3dji h ARG 11 Ca -0.47 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3dji h ARG 11 Cb 1.35 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3dji h ARG 11 CO 0.53 0.72 0.00 0.00 2.80 0.00 0.00 179.97 184.02 3dji n ALA 12 N -2.40 1.36 1.03 2.80 0.00 -1.26 -1.18 120.51 120.86 3dji n ALA 12 Ca 0.11 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3dji n ALA 12 Cb 0.09 -1.21 0.34 0.00 0.00 0.00 0.00 19.45 18.66 3dji n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dji n SER 13 N -1.77 0.44 -4.58 0.00 7.64 -0.21 -4.80 113.62 110.33 3dji n SER 13 Ca 0.01 -0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 3dji n SER 13 Cb 0.11 0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.96 4.80 0.32 0.44 1.01 -0.32 -4.74 120.40 118.95 3dji s VAL 14 Ca 0.13 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 3dji s VAL 14 Cb 0.18 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 3dji s VAL 14 CO 0.65 -0.38 1.55 -2.16 0.00 0.00 0.00 175.10 174.77 3dji s PRO 15 N 2.94 4.12 0.65 2.72 0.04 -1.26 -4.85 135.00 139.37 3dji s PRO 15 Ca 0.29 2.57 0.32 0.00 0.04 0.00 0.00 61.00 64.22 3dji s PRO 15 Cb -0.14 -3.01 1.76 0.00 0.04 0.00 0.00 34.50 33.16 3dji s PRO 15 CO 0.16 -0.59 2.03 -0.44 0.04 0.00 0.00 177.00 178.19 3dji h ASP 16 N 4.23 0.00 -0.37 6.66 3.32 -1.96 0.58 116.42 128.87 3dji h ASP 16 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3dji h ASP 16 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3dji h ASP 16 CO 0.74 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.87 3dji n GLY 17 N -1.25 1.23 0.16 2.75 0.00 -1.26 -4.50 105.19 102.31 3dji n GLY 17 Ca -0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 3.37 0.45 -0.64 1.61 3.57 -1.23 -0.17 116.94 123.90 3dji h PHE 18 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3dji h PHE 18 Cb 0.75 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3dji h PHE 18 CO 0.24 0.38 0.31 -0.07 -2.23 0.00 0.00 178.31 176.95 3dji h LEU 19 N 0.39 0.81 -0.37 0.59 3.38 -1.80 -0.24 115.31 118.07 3dji h LEU 19 Ca 0.11 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3dji h LEU 19 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dji h LEU 19 CO -0.02 0.68 -0.24 0.28 0.09 0.00 0.00 178.44 179.24 3dji h SER 20 N 0.90 0.85 -0.46 -0.43 0.02 -1.78 -1.41 113.55 111.24 3dji h SER 20 Ca 0.22 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 3dji h SER 20 Cb 0.08 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3dji h SER 20 CO -0.03 1.09 0.03 -0.08 -1.14 0.00 0.00 176.83 176.70 3dji h GLU 21 N 0.60 0.79 -0.77 3.45 4.81 -0.70 -0.97 114.58 121.80 3dji h GLU 21 Ca 0.07 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3dji h GLU 21 Cb 0.81 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3dji h GLU 21 CO 0.07 0.83 0.44 -0.07 -0.73 0.00 0.00 179.01 179.55 3dji h LEU 22 N 0.65 0.94 0.08 1.64 3.38 -1.03 0.11 115.31 121.08 3dji h LEU 22 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dji h LEU 22 Cb 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dji h LEU 22 CO 0.02 0.75 -0.04 0.74 0.09 0.00 0.00 178.44 180.00 3dji h THR 23 N 1.06 0.99 -0.37 0.22 2.02 -0.98 -0.33 112.91 115.51 3dji h THR 23 Ca 0.27 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3dji h THR 23 Cb 0.00 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3dji h THR 23 CO -0.05 0.05 0.18 -0.61 0.37 0.00 0.00 175.52 175.46 3dji h GLN 24 N -0.19 0.53 -0.60 6.66 -0.00 -0.92 -1.47 115.11 119.11 3dji h GLN 24 Ca -0.01 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.65 58.47 3dji h GLN 24 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 3dji h GLN 24 CO 0.02 0.47 0.01 1.96 0.00 0.00 0.00 178.83 181.28 3dji h GLN 25 N 0.46 1.04 -0.37 1.69 1.08 -0.74 -0.93 115.11 117.34 3dji h GLN 25 Ca 0.13 -0.32 -0.09 0.00 -1.45 0.00 0.00 58.65 56.92 3dji h GLN 25 Cb 0.11 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3dji h GLN 25 CO -0.02 1.01 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.67 3dji h LEU 26 N 0.96 0.65 0.04 1.46 3.38 -0.95 0.10 115.31 120.94 3dji h LEU 26 Ca 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dji h LEU 26 Cb 0.54 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dji h LEU 26 CO 0.03 0.81 -0.02 0.00 0.09 0.00 0.00 178.44 179.36 3dji h ALA 27 N 1.25 -0.05 -0.36 1.53 0.00 -0.94 0.77 119.26 121.46 3dji h ALA 27 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dji h ALA 27 Cb 0.58 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3dji h ALA 27 CO 0.04 -0.44 0.10 0.37 0.00 0.00 0.00 179.25 179.32 3dji h GLN 28 N -0.22 0.23 -0.10 0.00 4.15 -0.97 0.39 115.11 118.58 3dji h GLN 28 Ca -0.00 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 3dji h GLN 28 Cb 0.21 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.85 3dji h GLN 28 CO 0.01 0.15 -0.59 0.00 -1.93 0.00 0.00 178.83 176.47 3dji h ALA 29 N 1.25 0.21 0.00 3.38 0.00 -0.53 -3.33 119.26 120.24 3dji h ALA 29 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3dji h ALA 29 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dji h ALA 29 CO -0.20 0.46 -0.61 1.79 0.00 0.00 0.00 179.25 180.69 3dji h THR 30 N 0.21 0.27 0.00 0.00 1.35 -0.90 -3.47 112.91 110.37 3dji h THR 30 Ca -0.04 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3dji h THR 30 Cb 1.24 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3dji h THR 30 CO 0.12 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 3dji n GLY 31 N 1.20 1.24 3.78 5.82 0.00 0.12 -4.93 105.19 112.42 3dji n GLY 31 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.14 4.11 0.23 1.61 -0.14 -1.23 -4.97 119.74 119.21 3dji s LYS 32 Ca 0.00 1.53 -0.31 0.00 -1.36 0.00 0.00 55.97 55.82 3dji s LYS 32 Cb 0.00 -2.51 -0.12 0.00 -1.68 0.00 0.00 37.83 33.52 3dji s LYS 32 CO 0.00 -0.19 1.69 -2.14 -0.76 0.00 0.00 175.35 173.95 3dji s PRO 33 N -2.55 4.12 0.58 -1.68 0.02 -1.26 -4.55 135.00 129.68 3dji s PRO 33 Ca 0.59 2.60 0.27 0.00 0.02 0.00 0.00 61.00 64.48 3dji s PRO 33 Cb -0.22 -3.06 1.68 0.00 0.02 0.00 0.00 34.50 32.92 3dji s PRO 33 CO 0.28 -0.73 2.19 -1.00 -0.33 0.00 0.00 177.00 177.41 3dji h PRO 34 N 6.33 0.00 0.00 5.54 0.13 -1.92 -1.74 132.00 140.34 3dji h PRO 34 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3dji h PRO 34 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dji h PRO 34 CO 0.92 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.65 3dji h GLN 35 N 0.00 0.00 -0.26 0.86 7.50 -1.98 -2.39 115.11 118.84 3dji h GLN 35 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 3dji h GLN 35 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.70 3dji h GLN 35 CO -0.00 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 3dji n TYR 36 N -2.74 0.44 -3.52 2.96 4.01 -0.65 -4.95 117.16 112.71 3dji n TYR 36 Ca -0.01 -0.57 -0.38 0.00 -0.16 0.00 0.00 57.90 56.78 3dji n TYR 36 Cb 0.15 -0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.32 5.27 -0.12 -0.72 1.01 -0.90 -1.81 121.20 122.61 3dji s ILE 37 Ca 0.22 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.24 3dji s ILE 37 Cb 0.14 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3dji s ILE 37 CO 0.12 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.32 3dji s ALA 38 N 1.46 3.23 0.02 9.38 0.00 -0.14 -4.97 121.76 130.74 3dji s ALA 38 Ca 0.12 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3dji s ALA 38 Cb -0.15 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 3dji s ALA 38 CO 0.08 0.42 -0.16 0.08 0.00 0.00 0.00 175.76 176.17 3dji s VAL 39 N -0.33 1.25 -0.08 0.00 1.01 -1.26 -0.52 120.40 120.47 3dji s VAL 39 Ca 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3dji s VAL 39 Cb -0.12 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.22 3dji s VAL 39 CO 0.02 0.19 0.15 -2.28 0.00 0.00 0.00 175.10 173.18 3dji s HIS 40 N -0.62 -0.16 -0.10 5.22 5.04 -0.38 -4.97 115.29 119.32 3dji s HIS 40 Ca 0.05 0.55 0.04 0.00 -1.54 0.00 0.00 55.06 54.16 3dji s HIS 40 Cb -0.07 -0.23 -0.00 0.00 0.04 0.00 0.00 32.58 32.31 3dji s HIS 40 CO 0.01 -0.24 -0.23 0.08 -2.34 0.00 0.00 174.74 172.01 3dji s VAL 41 N 2.01 2.12 -0.41 0.89 1.01 -1.26 -0.31 120.40 124.44 3dji s VAL 41 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3dji s VAL 41 Cb -0.12 -1.81 0.11 0.00 0.00 0.00 0.00 36.38 34.56 3dji s VAL 41 CO -0.06 0.56 0.15 -0.69 0.00 0.00 0.00 175.10 175.06 3dji s VAL 42 N 0.33 2.25 0.95 2.92 1.01 0.86 -4.97 120.40 123.75 3dji s VAL 42 Ca -0.18 -2.68 -0.15 0.00 0.00 0.00 0.00 61.98 58.97 3dji s VAL 42 Cb -0.18 -2.62 0.20 0.00 0.00 0.00 0.00 36.38 33.78 3dji s VAL 42 CO 0.09 -0.70 1.31 -2.16 0.00 0.00 0.00 175.10 173.63 3dji s PRO 43 N 0.45 0.70 -1.23 2.72 0.04 -1.26 -1.55 135.00 134.87 3dji s PRO 43 Ca 0.14 -0.45 -0.01 0.00 0.04 0.00 0.00 61.00 60.72 3dji s PRO 43 Cb -0.22 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3dji s PRO 43 CO -0.05 -2.36 0.08 -0.25 0.04 0.00 0.00 177.00 174.45 3dji n ASP 44 N -3.72 -4.36 -4.85 6.66 8.00 -0.07 -4.85 116.55 113.35 3dji n ASP 44 Ca 0.15 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.42 3dji n ASP 44 Cb 0.59 -3.67 -0.02 0.00 -0.02 0.00 0.00 41.12 38.01 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 -5.16 3.84 -0.64 -1.24 -1.52 -0.52 -4.94 119.66 109.47 3dji s GLN 45 Ca 0.05 0.85 -0.20 0.00 -1.95 0.00 0.00 55.36 54.11 3dji s GLN 45 Cb -0.03 -2.15 0.10 0.00 -0.22 0.00 0.00 33.01 30.71 3dji s GLN 45 CO 0.06 -0.32 0.83 -1.17 -0.25 0.00 0.00 175.29 174.44 3dji s LEU 46 N -4.34 5.03 0.24 2.90 2.96 -1.26 -4.20 118.68 120.00 3dji s LEU 46 Ca 0.57 -1.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.16 3dji s LEU 46 Cb -0.10 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 3dji s LEU 46 CO 0.37 -1.22 0.06 -0.04 -1.32 0.00 0.00 176.35 174.20 3dji s MET 47 N 3.14 1.34 -0.05 1.98 -1.94 -1.26 -5.08 119.30 117.43 3dji s MET 47 Ca 0.17 -1.70 -0.10 0.00 -1.71 0.00 0.00 55.69 52.35 3dji s MET 47 Cb -0.20 -0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.34 3dji s MET 47 CO 0.06 -0.23 0.23 0.00 -0.01 0.00 0.00 175.02 175.08 3dji s ALA 48 N -3.68 -0.58 -0.06 3.03 0.00 -1.26 -4.61 121.76 114.60 3dji s ALA 48 Ca 0.33 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 3dji s ALA 48 Cb 0.07 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3dji s ALA 48 CO 0.11 -0.18 0.04 0.12 0.00 0.00 0.00 175.76 175.86 3dji s PHE 49 N -0.61 0.29 -1.25 0.00 2.19 -0.30 -4.73 117.98 113.56 3dji s PHE 49 Ca -0.07 0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.25 3dji s PHE 49 Cb -0.04 -0.61 0.00 0.00 -1.31 0.00 0.00 43.02 41.06 3dji s PHE 49 CO 0.02 -0.26 0.00 0.41 1.83 0.00 0.00 175.22 177.21 3dji n GLY 50 N 5.24 1.28 1.86 13.12 0.00 -1.26 -2.34 105.19 123.09 3dji n GLY 50 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.46 1.89 3.76 -0.02 0.00 -1.26 -5.03 105.19 103.07 3dji n GLY 51 Ca -0.12 0.00 -0.22 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 -3.14 4.94 -0.26 1.61 1.04 -0.99 -5.02 113.70 111.89 3dji s SER 52 Ca 0.00 -0.59 0.11 0.00 0.48 0.00 0.00 55.95 55.95 3dji s SER 52 Cb 0.00 -0.93 0.50 0.00 0.10 0.00 0.00 66.02 65.69 3dji s SER 52 CO 0.00 -0.21 1.43 -1.54 0.98 0.00 0.00 173.24 173.91 3dji n SER 53 N -1.16 2.68 -4.61 7.02 3.41 -1.26 -1.15 113.62 118.55 3dji n SER 53 Ca -0.04 -3.62 -0.29 0.00 -0.26 0.00 0.00 58.87 54.66 3dji n SER 53 Cb 0.60 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.16 0.08 0.18 4.33 8.01 -1.26 -4.86 118.70 122.01 3dji s GLU 54 Ca 0.43 0.49 -0.32 0.00 0.01 0.00 0.00 54.97 55.58 3dji s GLU 54 Cb 0.39 -1.70 -0.16 0.00 -4.31 0.00 0.00 34.13 28.35 3dji s GLU 54 CO 0.01 -2.96 1.11 -2.30 0.01 0.00 0.00 175.26 171.13 3dji n PRO 55 N -4.33 1.07 -3.93 0.39 -0.02 -1.26 -4.88 135.00 122.04 3dji n PRO 55 Ca 0.05 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.83 3dji n PRO 55 Cb 0.57 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.81 -1.52 -0.16 0.00 0.00 -0.47 -3.43 121.76 112.38 3dji s ALA 57 Ca 0.17 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.74 3dji s ALA 57 Cb -0.03 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.30 3dji s ALA 57 CO 0.09 -0.30 -0.19 -0.51 0.00 0.00 0.00 175.76 174.84 3dji s LEU 58 N 0.01 2.20 0.29 0.00 1.43 -0.22 -1.48 118.68 120.91 3dji s LEU 58 Ca -0.02 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3dji s LEU 58 Cb -0.04 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 3dji s LEU 58 CO 0.02 0.04 0.07 0.00 0.23 0.00 0.00 176.35 176.72 3dji s SER 60 N -3.40 -0.42 -0.20 0.00 1.04 -0.76 -0.88 113.70 109.08 3dji s SER 60 Ca 0.37 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.61 3dji s SER 60 Cb 0.08 0.81 0.03 0.00 0.10 0.00 0.00 66.02 67.05 3dji s SER 60 CO 0.14 -0.15 -0.16 -0.22 0.98 0.00 0.00 173.24 173.83 3dji s LEU 61 N 0.16 2.44 -0.17 2.42 2.96 -0.26 -1.42 118.68 124.81 3dji s LEU 61 Ca -0.01 -0.86 -0.05 0.00 -0.22 0.00 0.00 54.13 53.00 3dji s LEU 61 Cb -0.03 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3dji s LEU 61 CO 0.01 -0.08 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.95 3dji s HIS 62 N 1.28 3.07 -0.06 5.38 3.76 0.02 -0.95 115.29 127.79 3dji s HIS 62 Ca 0.01 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 3dji s HIS 62 Cb -0.15 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.54 3dji s HIS 62 CO -0.10 -0.06 0.27 0.45 -0.85 0.00 0.00 174.74 174.45 3dji s SER 63 N 0.54 -0.22 -0.79 1.40 0.15 -0.47 -1.10 113.70 113.22 3dji s SER 63 Ca -0.01 0.31 -0.22 0.00 0.70 0.00 0.00 55.95 56.73 3dji s SER 63 Cb -0.14 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 3dji s SER 63 CO 0.02 -0.24 1.13 -0.63 1.20 0.00 0.00 173.24 174.72 3dji s ILE 64 N -0.51 4.25 0.00 6.45 1.01 -1.26 -0.59 121.20 130.56 3dji s ILE 64 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3dji s ILE 64 Cb -0.04 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.63 3dji s ILE 64 CO 0.02 -1.61 0.00 0.61 0.00 0.00 0.00 174.94 173.95 3dji n GLY 65 N 5.62 -1.19 2.29 6.18 0.00 -1.26 -4.95 105.19 111.87 3dji n GLY 65 Ca 0.10 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.06 -1.03 -4.91 1.61 4.76 -1.26 -4.93 118.16 111.33 3dji n LYS 66 Ca 0.00 0.73 -0.28 0.00 -2.87 0.00 0.00 58.31 55.89 3dji n LYS 66 Cb 0.00 -4.93 -0.17 0.00 -1.84 0.00 0.00 35.03 28.10 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 1.58 0.00 -0.18 -1.09 -1.26 -4.86 121.20 112.77 3dji s ILE 67 Ca 0.00 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 3dji s ILE 67 Cb 0.00 -1.38 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 3dji s ILE 67 CO 0.00 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 3dji n GLY 68 N 3.44 0.03 0.07 6.18 0.00 -1.26 -4.98 105.19 108.67 3dji n GLY 68 Ca -0.20 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.44 1.12 -0.02 0.00 -1.99 0.68 103.07 100.42 3dji h GLY 69 Ca 0.00 1.12 -0.10 0.00 0.00 0.00 0.00 47.33 48.35 3dji h GLY 69 CO 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 176.54 175.67 3dji h ALA 70 N -0.76 0.86 -0.25 3.60 0.00 -2.00 -2.48 119.26 118.23 3dji h ALA 70 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3dji h ALA 70 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dji h ALA 70 CO -0.15 0.67 0.06 1.96 0.00 0.00 0.00 179.25 181.78 3dji h GLN 71 N 0.96 0.40 -0.22 0.00 4.20 -1.82 -2.20 115.11 116.42 3dji h GLN 71 Ca 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3dji h GLN 71 Cb 0.56 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3dji h GLN 71 CO 0.03 0.51 0.08 -0.91 -0.67 0.00 0.00 178.83 177.86 3dji h ASN 72 N 0.22 0.27 -0.42 1.46 4.21 0.43 0.12 115.58 121.88 3dji h ASN 72 Ca 0.08 -0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.45 3dji h ASN 72 Cb 0.29 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 3dji h ASN 72 CO 0.00 0.27 -0.17 0.03 -1.29 0.00 0.00 177.43 176.26 3dji h ARG 73 N 0.31 0.86 -0.43 0.81 3.08 -1.12 -1.60 114.38 116.28 3dji h ARG 73 Ca 0.08 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 3dji h ARG 73 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3dji h ARG 73 CO -0.01 1.00 -0.14 1.03 -1.07 0.00 0.00 179.97 180.79 3dji h SER 74 N 0.68 0.87 -0.53 7.04 0.87 -0.67 -2.42 113.55 119.39 3dji h SER 74 Ca 0.10 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 3dji h SER 74 Cb 0.73 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 3dji h SER 74 CO 0.06 1.05 0.29 1.88 -0.53 0.00 0.00 176.83 179.57 3dji h TYR 75 N 0.68 0.73 -0.78 2.24 0.05 -0.75 -0.93 116.97 118.21 3dji h TYR 75 Ca 0.10 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.92 3dji h TYR 75 Cb 0.69 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.14 3dji h TYR 75 CO 0.05 0.54 0.48 0.77 -1.05 0.00 0.00 178.16 178.95 3dji h SER 76 N 0.71 0.76 -0.43 3.88 0.02 -1.12 0.56 113.55 117.92 3dji h SER 76 Ca 0.19 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.03 3dji h SER 76 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3dji h SER 76 CO -0.03 0.50 -0.18 0.50 -1.14 0.00 0.00 176.83 176.48 3dji h LYS 77 N 0.89 0.89 -0.04 3.45 3.64 -1.19 0.24 116.57 124.46 3dji h LYS 77 Ca 0.33 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3dji h LYS 77 Cb 0.11 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3dji h LYS 77 CO -0.15 1.02 0.01 1.25 -2.27 0.00 0.00 179.45 179.31 3dji h LEU 78 N 0.72 0.07 -0.21 5.20 5.85 -0.38 -1.96 115.31 124.60 3dji h LEU 78 Ca 0.10 -0.24 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 3dji h LEU 78 Cb 0.74 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3dji h LEU 78 CO 0.06 0.29 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.86 3dji h LEU 79 N -0.16 0.81 -1.12 2.25 3.38 0.11 -2.24 115.31 118.34 3dji h LEU 79 Ca 0.01 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 3dji h LEU 79 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3dji h LEU 79 CO 0.00 1.23 0.45 0.00 0.09 0.00 0.00 178.44 180.21 3dji h GLY 81 N 1.10 0.31 0.98 0.00 0.00 -1.21 0.50 103.07 104.76 3dji h GLY 81 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3dji h GLY 81 CO -0.05 0.12 0.26 1.41 0.00 0.00 0.00 176.54 178.29 3dji h LEU 82 N 0.28 0.71 -0.82 3.11 3.38 -0.93 0.16 115.31 121.20 3dji h LEU 82 Ca 0.08 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3dji h LEU 82 Cb -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3dji h LEU 82 CO -0.02 0.64 0.16 -0.07 0.09 0.00 0.00 178.44 179.24 3dji h LEU 83 N 0.73 0.98 0.05 1.67 3.38 -0.89 0.13 115.31 121.35 3dji h LEU 83 Ca 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dji h LEU 83 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dji h LEU 83 CO -0.02 0.95 -0.02 0.00 0.09 0.00 0.00 178.44 179.43 3dji h ALA 84 N 1.18 -0.06 -0.57 1.53 0.00 -0.62 -0.96 119.26 119.75 3dji h ALA 84 Ca 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dji h ALA 84 Cb 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3dji h ALA 84 CO 0.00 -0.34 0.28 1.49 0.00 0.00 0.00 179.25 180.69 3dji h GLU 85 N -0.46 0.81 0.03 0.00 4.81 -0.53 -0.21 114.58 119.04 3dji h GLU 85 Ca -0.01 -0.11 -0.33 0.00 -0.13 0.00 0.00 59.36 58.78 3dji h GLU 85 Cb 0.42 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3dji h GLU 85 CO 0.01 0.65 -1.93 0.54 -0.73 0.00 0.00 179.01 177.56 3dji n ARG 86 N -4.56 0.68 -0.00 1.92 5.12 0.43 -4.47 116.66 115.77 3dji n ARG 86 Ca 0.03 0.24 0.04 0.00 -1.93 0.00 0.00 57.85 56.23 3dji n ARG 86 Cb 0.11 -1.72 0.04 0.00 -1.16 0.00 0.00 32.46 29.74 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 -3.14 1.77 -1.61 0.55 4.77 -0.41 -4.62 117.00 114.31 3dji n LEU 87 Ca -0.25 -1.03 -0.18 0.00 -0.03 0.00 0.00 56.01 54.52 3dji n LEU 87 Cb 1.06 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 42.09 3dji n LEU 87 CO 0.43 0.35 -0.19 0.54 -1.33 0.00 0.00 177.39 177.19 3dji n ARG 88 N 0.50 -1.33 -2.87 3.23 1.74 -0.09 -4.96 116.66 112.88 3dji n ARG 88 Ca 0.05 1.06 -0.42 0.00 -0.77 0.00 0.00 57.85 57.78 3dji n ARG 88 Cb 0.23 -5.41 -0.04 0.00 -1.02 0.00 0.00 32.46 26.22 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 -2.75 4.84 0.33 0.55 1.01 -0.94 -4.92 121.20 119.33 3dji s ILE 89 Ca 0.00 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 3dji s ILE 89 Cb 0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 3dji s ILE 89 CO 0.00 -0.05 1.45 -0.55 0.00 0.00 0.00 174.94 175.79 3dji s SER 90 N 1.28 6.51 0.53 3.58 0.15 -1.26 -3.11 113.70 121.37 3dji s SER 90 Ca 0.37 2.88 0.20 0.00 0.70 0.00 0.00 55.95 60.10 3dji s SER 90 Cb -0.16 -2.65 1.35 0.00 -1.71 0.00 0.00 66.02 62.85 3dji s SER 90 CO 0.09 -0.77 2.10 -0.65 1.20 0.00 0.00 173.24 175.21 3dji h PRO 91 N 3.68 0.00 0.00 5.44 0.11 -1.96 0.33 132.00 139.61 3dji h PRO 91 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dji h PRO 91 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dji h PRO 91 CO 0.69 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3dji n ASP 92 N -4.43 0.00 -1.50 -2.05 3.85 -1.26 -2.59 116.55 108.57 3dji n ASP 92 Ca 0.02 -0.74 -0.12 0.00 -0.71 0.00 0.00 54.79 53.24 3dji n ASP 92 Cb 0.28 -0.02 0.09 0.00 -1.35 0.00 0.00 41.12 40.13 3dji n ASP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dji n ARG 93 N -1.02 2.78 -4.29 0.11 1.74 0.11 -5.00 116.66 111.09 3dji n ARG 93 Ca 0.18 -3.81 -0.20 0.00 -0.77 0.00 0.00 57.85 53.26 3dji n ARG 93 Cb 0.09 -1.99 -0.16 0.00 -1.02 0.00 0.00 32.46 29.39 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 -4.02 0.66 -0.05 1.55 1.01 -1.07 -1.36 120.40 117.12 3dji s VAL 94 Ca 0.45 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.24 3dji s VAL 94 Cb 0.39 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3dji s VAL 94 CO -0.01 0.23 -0.25 -0.31 0.00 0.00 0.00 175.10 174.77 3dji s TYR 95 N 0.48 2.38 -0.19 5.22 2.02 -0.55 -5.00 117.35 121.71 3dji s TYR 95 Ca -0.07 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 55.94 3dji s TYR 95 Cb -0.11 -1.56 0.05 0.00 -0.40 0.00 0.00 41.96 39.95 3dji s TYR 95 CO 0.01 -0.19 -0.02 0.42 -1.57 0.00 0.00 175.55 174.19 3dji s ILE 96 N -0.20 0.99 -0.15 2.71 1.01 -1.26 0.17 121.20 124.47 3dji s ILE 96 Ca -0.02 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 3dji s ILE 96 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3dji s ILE 96 CO 0.03 -0.06 0.52 0.20 0.00 0.00 0.00 174.94 175.63 3dji s ASN 97 N 1.66 6.67 -0.11 3.58 0.02 -0.06 -4.94 114.94 121.74 3dji s ASN 97 Ca -0.02 0.80 -0.06 0.00 -1.02 0.00 0.00 52.86 52.55 3dji s ASN 97 Cb -0.17 -2.30 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 3dji s ASN 97 CO -0.07 -0.09 0.13 -0.31 0.02 0.00 0.00 177.10 176.78 3dji s TYR 98 N 1.06 3.56 -0.08 2.20 1.51 -1.26 -1.10 117.35 123.24 3dji s TYR 98 Ca 0.26 0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 56.81 3dji s TYR 98 Cb -0.15 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.80 3dji s TYR 98 CO 0.11 0.71 -0.02 0.71 -1.11 0.00 0.00 175.55 175.95 3dji s TYR 99 N -1.02 0.87 -0.62 2.71 1.51 -0.12 -4.96 117.35 115.72 3dji s TYR 99 Ca 0.15 -0.30 -0.20 0.00 -1.01 0.00 0.00 57.07 55.70 3dji s TYR 99 Cb -0.12 -0.89 0.09 0.00 -0.11 0.00 0.00 41.96 40.93 3dji s TYR 99 CO 0.04 -0.36 0.80 0.34 -1.11 0.00 0.00 175.55 175.26 3dji s ASP 100 N 1.80 6.18 0.13 2.29 2.15 -1.26 -1.37 116.67 126.59 3dji s ASP 100 Ca 0.03 -1.27 -0.28 0.00 0.43 0.00 0.00 52.55 51.46 3dji s ASP 100 Cb -0.13 -2.35 -0.07 0.00 -0.30 0.00 0.00 42.92 40.08 3dji s ASP 100 CO -0.05 -1.24 0.88 -0.04 -0.17 0.00 0.00 175.17 174.55 3dji s MET 101 N 3.20 4.66 0.24 4.34 -1.94 0.25 -4.89 119.30 125.16 3dji s MET 101 Ca 0.15 1.32 -0.30 0.00 -1.71 0.00 0.00 55.69 55.16 3dji s MET 101 Cb -0.21 -3.34 -0.09 0.00 2.01 0.00 0.00 34.83 33.20 3dji s MET 101 CO 0.08 0.34 1.19 -0.80 -0.01 0.00 0.00 175.02 175.82 3dji s ASN 102 N -0.40 7.08 0.47 3.03 0.01 -1.26 -4.21 114.94 119.66 3dji s ASN 102 Ca 0.42 2.34 0.16 0.00 -0.71 0.00 0.00 52.86 55.07 3dji s ASN 102 Cb -0.23 -2.62 1.14 0.00 0.41 0.00 0.00 41.25 39.95 3dji s ASN 102 CO 0.28 -0.33 2.04 0.00 -1.51 0.00 0.00 177.10 177.58 3dji h ALA 103 N 4.44 2.06 0.00 0.60 0.00 -1.95 0.37 119.26 124.78 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 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dji h ALA 103 CO 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3dji h ALA 104 N 1.79 1.00 -0.46 0.00 0.00 -1.91 -2.10 119.26 117.59 3dji h ALA 104 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dji h ALA 104 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3dji h ALA 104 CO -0.03 0.00 0.05 0.09 0.00 0.00 0.00 179.25 179.35 3dji n ASN 105 N -2.79 4.59 -3.91 0.00 3.02 0.12 -4.81 115.26 111.47 3dji n ASN 105 Ca -0.01 -3.08 -0.30 0.00 -0.03 0.00 0.00 54.58 51.15 3dji n ASN 105 Cb 0.14 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.87 1.66 0.44 2.41 1.01 -0.80 -4.92 120.40 117.32 3dji s VAL 106 Ca 0.49 -1.74 -0.20 0.00 0.00 0.00 0.00 61.98 60.52 3dji s VAL 106 Cb 0.39 -2.14 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 3dji s VAL 106 CO 0.11 -0.47 0.95 -0.83 0.00 0.00 0.00 175.10 174.86 3dji s GLY 107 N 1.25 2.35 -0.29 4.51 0.00 -1.26 -2.37 107.32 111.51 3dji s GLY 107 Ca 0.06 0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.88 3dji s GLY 107 CO -0.13 0.64 1.36 0.86 0.00 0.00 0.00 173.10 175.83 3dji s TRP 108 N -2.23 -0.12 -1.28 1.90 -0.00 0.79 -4.93 118.94 113.08 3dji s TRP 108 Ca 0.61 0.27 -0.15 0.00 -0.00 0.00 0.00 56.10 56.84 3dji s TRP 108 Cb -0.09 0.47 0.01 0.00 -0.00 0.00 0.00 33.47 33.85 3dji s TRP 108 CO 0.15 -0.07 0.57 -1.71 -0.00 0.00 0.00 176.95 175.90 3dji n ASN 109 N 1.44 -2.77 -1.22 5.86 5.15 -1.26 -0.78 115.26 121.68 3dji n ASN 109 Ca -0.09 -1.09 -0.16 0.00 -0.60 0.00 0.00 54.58 52.64 3dji n ASN 109 Cb 0.57 -2.76 -0.07 0.00 -0.53 0.00 0.00 39.78 36.99 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 -2.70 -5.55 0.00 1.20 3.02 -1.26 -4.86 115.26 105.11 3dji n ASN 110 Ca -0.19 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3dji n ASN 110 Cb 0.63 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 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 -1.26 0.38 -3.62 6.41 2.88 0.04 -5.18 113.62 113.27 3dji n SER 111 Ca -0.16 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.15 3dji n SER 111 Cb 0.64 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.10 2.46 -2.24 -1.26 -0.15 114.28 113.20 3dji n THR 112 Ca 0.00 -2.44 0.07 0.00 -2.27 0.00 0.00 64.05 59.41 3dji n THR 112 Cb 0.00 1.03 0.25 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.80 1.00 -0.89 4.78 3.72 -1.00 -4.81 117.46 119.46 3dji n PHE 113 Ca 0.00 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3dji n PHE 113 Cb 0.62 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3dji n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71