#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fnj h ASP 3 N 0.00 0.11 -0.32 1.20 3.45 -2.05 -3.01 116.42 115.79 3fnj h ASP 3 Ca 0.00 -0.85 0.08 0.00 0.43 0.00 0.00 57.03 56.68 3fnj h ASP 3 Cb 0.00 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3fnj h ASP 3 CO 0.00 0.95 0.23 0.11 -1.57 0.00 0.00 179.24 178.96 3fnj h LYS 4 N -0.72 0.08 -0.12 3.56 1.57 -2.05 0.34 116.57 119.24 3fnj h LYS 4 Ca -0.02 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3fnj h LYS 4 Cb 0.98 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3fnj h LYS 4 CO 0.03 0.05 -0.07 0.87 -0.57 0.00 0.00 179.45 179.76 3fnj h LYS 5 N 0.09 0.26 -0.43 3.15 1.57 -1.99 -0.79 116.57 118.43 3fnj h LYS 5 Ca 0.15 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3fnj h LYS 5 Cb 0.49 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3fnj h LYS 5 CO -0.01 0.62 0.07 0.82 -0.57 0.00 0.00 179.45 180.38 3fnj h ILE 6 N -0.10 1.24 -0.73 1.86 1.08 -1.22 0.13 117.51 119.78 3fnj h ILE 6 Ca 0.02 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.59 3fnj h ILE 6 Cb 0.55 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 3fnj h ILE 6 CO 0.02 0.31 0.35 -0.08 -0.69 0.00 0.00 178.15 178.06 3fnj h GLU 7 N 0.58 1.05 -0.11 2.37 4.81 -0.96 0.28 114.58 122.60 3fnj h GLU 7 Ca 0.13 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3fnj h GLU 7 Cb 0.37 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3fnj h GLU 7 CO 0.01 0.82 -0.20 1.25 -0.73 0.00 0.00 179.01 180.15 3fnj h LEU 8 N 1.02 0.36 -1.71 1.64 5.85 -0.99 -2.65 115.31 118.82 3fnj h LEU 8 Ca 0.25 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3fnj h LEU 8 Cb 0.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3fnj h LEU 8 CO -0.03 0.85 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.80 3fnj h LEU 9 N -0.11 0.11 -0.11 2.25 3.38 -0.54 0.86 115.31 121.16 3fnj h LEU 9 Ca 0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3fnj h LEU 9 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3fnj h LEU 9 CO 0.05 0.18 -0.37 0.74 0.09 0.00 0.00 178.44 179.13 3fnj h THR 10 N 0.12 1.38 -0.05 0.22 2.02 -0.38 -1.90 112.91 114.32 3fnj h THR 10 Ca 0.03 -1.69 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 3fnj h THR 10 Cb 0.16 2.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3fnj h THR 10 CO 0.01 0.50 -0.07 0.74 0.37 0.00 0.00 175.52 177.07 3fnj h THR 11 N 0.01 1.39 -0.08 3.16 2.02 -1.32 -2.36 112.91 115.75 3fnj h THR 11 Ca -0.02 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 65.92 3fnj h THR 11 Cb 0.99 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 3fnj h THR 11 CO 0.08 0.35 -0.26 0.22 0.37 0.00 0.00 175.52 176.28 3fnj h TYR 12 N -0.32 -0.69 0.00 3.16 3.20 -0.91 -0.71 116.97 120.70 3fnj h TYR 12 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3fnj h TYR 12 Cb 0.60 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 3fnj h TYR 12 CO 0.10 -0.34 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.21 3fnj h LEU 13 N -0.35 0.00 -1.06 2.82 3.38 -1.38 -1.62 115.31 117.10 3fnj h LEU 13 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fnj h LEU 13 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3fnj h LEU 13 CO -0.28 0.00 0.00 0.28 0.09 0.00 0.00 178.44 178.53 3fnj h SER 14 N 0.00 0.00 0.96 -0.43 0.02 -0.56 -2.28 113.55 111.26 3fnj h SER 14 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fnj h SER 14 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3fnj h SER 14 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3fnj n LEU 15 N -2.82 0.33 -4.74 5.07 4.77 -0.61 -4.83 117.00 114.17 3fnj n LEU 15 Ca 0.02 0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 56.32 3fnj n LEU 15 Cb 0.31 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3fnj n LEU 15 CO 0.26 -0.20 -0.21 -0.31 -1.33 0.00 0.00 177.39 175.60 3fnj s TYR 16 N -3.08 2.77 -0.01 -1.77 1.51 -0.86 0.14 117.35 116.04 3fnj s TYR 16 Ca 0.10 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 3fnj s TYR 16 Cb 0.13 -1.55 -0.00 0.00 -0.11 0.00 0.00 41.96 40.43 3fnj s TYR 16 CO 0.46 0.39 -0.08 -1.50 -1.11 0.00 0.00 175.55 173.71 3fnj s ILE 17 N -2.36 0.68 0.29 2.71 2.07 -0.70 -4.74 121.20 119.15 3fnj s ILE 17 Ca 0.36 -0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 58.95 3fnj s ILE 17 Cb -0.04 -0.57 -0.11 0.00 0.13 0.00 0.00 42.46 41.86 3fnj s ILE 17 CO 0.23 0.20 1.57 -0.62 -1.91 0.00 0.00 174.94 174.40 3fnj s ASP 18 N -0.13 6.41 0.55 4.50 3.68 -1.26 -2.22 116.67 128.20 3fnj s ASP 18 Ca 0.02 2.92 0.30 0.00 2.13 0.00 0.00 52.55 57.92 3fnj s ASP 18 Cb -0.04 -2.64 1.57 0.00 -1.45 0.00 0.00 42.92 40.37 3fnj s ASP 18 CO -0.00 -0.88 2.11 1.12 0.13 0.00 0.00 175.17 177.64 3fnj h HIS 19 N 4.77 0.00 -0.40 -5.34 2.07 -1.96 -2.26 115.15 112.02 3fnj h HIS 19 Ca -0.47 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 56.93 3fnj h HIS 19 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 3fnj h HIS 19 CO 0.58 0.09 -0.22 0.45 -3.07 0.00 0.00 177.93 175.77 3fnj h HIS 20 N 0.00 0.90 0.00 6.12 -0.00 -1.96 -1.04 115.15 119.17 3fnj h HIS 20 Ca -0.00 -0.20 -0.07 0.00 -0.00 0.00 0.00 60.37 60.10 3fnj h HIS 20 Cb 0.30 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 3fnj h HIS 20 CO 0.00 0.93 -0.34 1.15 -0.00 0.00 0.00 177.93 179.68 3fnj h THR 21 N 0.69 1.09 0.12 2.45 2.02 -1.79 -0.41 112.91 117.08 3fnj h THR 21 Ca 0.10 -1.21 -0.27 0.00 0.77 0.00 0.00 66.41 65.79 3fnj h THR 21 Cb 0.73 1.68 0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3fnj h THR 21 CO 0.06 0.33 -1.21 0.58 0.37 0.00 0.00 175.52 175.64 3fnj h VAL 22 N 0.00 1.44 -0.16 3.16 2.07 -1.37 -2.96 116.25 118.43 3fnj h VAL 22 Ca -0.00 -2.86 -0.14 0.00 0.82 0.00 0.00 66.70 64.51 3fnj h VAL 22 Cb 0.65 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 3fnj h VAL 22 CO 0.04 0.84 -0.51 0.25 0.02 0.00 0.00 177.57 178.21 3fnj h LEU 23 N 0.13 0.49 -0.67 2.57 7.12 -0.86 -3.03 115.31 121.06 3fnj h LEU 23 Ca -0.14 -0.25 -0.13 0.00 0.13 0.00 0.00 57.88 57.48 3fnj h LEU 23 Cb 1.92 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.90 3fnj h LEU 23 CO 0.21 0.92 -0.41 0.00 -0.13 0.00 0.00 178.44 179.03 3fnj h ALA 24 N 1.10 0.85 0.00 1.25 0.00 -1.13 -1.47 119.26 119.86 3fnj h ALA 24 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fnj h ALA 24 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3fnj h ALA 24 CO 0.09 0.64 0.00 -3.47 0.00 0.00 0.00 179.25 176.52 3fnj n ASP 25 N -4.03 0.79 0.00 0.00 2.03 -1.12 -1.52 116.55 112.70 3fnj n ASP 25 Ca -0.02 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.42 3fnj n ASP 25 Cb 0.52 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 3fnj n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fnj n GLN 27 N 0.48 0.00 0.00 -0.67 6.02 -0.55 -1.14 117.38 121.52 3fnj n GLN 27 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3fnj n GLN 27 Cb 0.15 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.57 3fnj n GLN 27 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3fnj n ASN 28 N 0.00 0.00 -2.14 1.08 5.03 -0.58 -4.81 115.26 113.84 3fnj n ASN 28 Ca 0.00 0.34 -0.11 0.00 0.87 0.00 0.00 54.58 55.68 3fnj n ASN 28 Cb 0.00 -0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.35 3fnj n ASN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fnj n ALA 29 N -1.39 -0.63 1.13 5.41 0.00 -0.29 -4.76 120.51 119.98 3fnj n ALA 29 Ca 0.02 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.68 3fnj n ALA 29 Cb 0.06 -1.33 0.56 0.00 0.00 0.00 0.00 19.45 18.75 3fnj n ALA 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fnj n THR 30 N -2.85 0.19 -3.21 0.00 -2.24 -1.10 -4.93 114.28 100.13 3fnj n THR 30 Ca -0.12 0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 3fnj n THR 30 Cb 0.53 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3fnj n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fnj n GLY 31 N 0.34 -0.69 0.00 3.38 0.00 -1.26 -4.88 105.19 102.07 3fnj n GLY 31 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3fnj n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fnj n LYS 32 N -1.61 -0.18 -4.62 1.61 2.85 -1.26 -5.01 118.16 109.93 3fnj n LYS 32 Ca -0.18 -0.48 -0.25 0.00 -1.05 0.00 0.00 58.31 56.35 3fnj n LYS 32 Cb 0.43 -0.83 -0.17 0.00 -0.65 0.00 0.00 35.03 33.81 3fnj n LYS 32 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3fnj s TYR 33 N -0.12 1.50 -0.17 5.58 2.02 -1.26 -3.30 117.35 121.60 3fnj s TYR 33 Ca 0.00 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3fnj s TYR 33 Cb 0.00 -1.08 -0.00 0.00 -0.40 0.00 0.00 41.96 40.47 3fnj s TYR 33 CO 0.00 -0.27 -0.13 0.08 -1.57 0.00 0.00 175.55 173.66 3fnj s VAL 34 N 0.59 2.77 -0.30 0.71 1.01 -0.51 -4.99 120.40 119.69 3fnj s VAL 34 Ca -0.14 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 3fnj s VAL 34 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3fnj s VAL 34 CO 0.04 0.50 0.52 -0.69 0.00 0.00 0.00 175.10 175.47 3fnj s VAL 35 N 0.99 5.04 -0.25 2.92 1.01 -1.26 -0.55 120.40 128.29 3fnj s VAL 35 Ca -0.02 0.67 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 3fnj s VAL 35 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3fnj s VAL 35 CO -0.02 -0.05 0.11 -0.76 0.00 0.00 0.00 175.10 174.38 3fnj s LEU 36 N 2.37 3.72 -0.63 3.92 1.43 0.39 -0.29 118.68 129.59 3fnj s LEU 36 Ca 0.21 -0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 3fnj s LEU 36 Cb -0.15 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.11 3fnj s LEU 36 CO 0.11 -0.01 1.02 -0.62 0.23 0.00 0.00 176.35 177.08 3fnj s ASP 37 N 1.49 6.24 -0.25 2.29 -1.08 -0.50 -1.82 116.67 123.05 3fnj s ASP 37 Ca 0.06 -0.62 0.13 0.00 -0.52 0.00 0.00 52.55 51.61 3fnj s ASP 37 Cb -0.15 -2.45 0.82 0.00 -1.46 0.00 0.00 42.92 39.67 3fnj s ASP 37 CO 0.06 -1.43 1.76 1.33 0.52 0.00 0.00 175.17 177.41 3fnj n VAL 38 N 6.13 2.80 -3.08 1.11 0.24 -0.88 -3.86 118.33 120.78 3fnj n VAL 38 Ca -0.00 -1.43 -0.39 0.00 -2.04 0.00 0.00 64.34 60.48 3fnj n VAL 38 Cb 0.47 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.49 3fnj n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fnj s ARG 39 N -2.80 4.44 -0.47 7.34 1.70 -1.25 -0.92 118.95 126.99 3fnj s ARG 39 Ca 0.55 1.00 -0.26 0.00 -0.47 0.00 0.00 55.73 56.55 3fnj s ARG 39 Cb 0.42 -3.26 0.03 0.00 -0.57 0.00 0.00 34.95 31.57 3fnj s ARG 39 CO 0.16 0.57 0.94 -0.80 -1.08 0.00 0.00 175.30 175.09 3fnj s ASN 40 N -1.05 6.50 0.00 -2.89 0.02 -1.26 -4.48 114.94 111.78 3fnj s ASN 40 Ca 0.33 0.11 0.00 0.00 -1.02 0.00 0.00 52.86 52.28 3fnj s ASN 40 Cb -0.22 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.60 3fnj s ASN 40 CO 0.23 -1.08 0.00 0.00 0.02 0.00 0.00 177.10 176.28 3fnj n ALA 41 N 7.23 0.00 -1.74 0.60 0.00 -1.26 -5.10 120.51 120.24 3fnj n ALA 41 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 3fnj n ALA 41 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 3fnj n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fnj s PRO 42 N -1.25 2.89 0.59 0.00 0.04 -1.26 -4.76 135.00 131.26 3fnj s PRO 42 Ca 0.00 1.86 0.29 0.00 0.04 0.00 0.00 61.00 63.19 3fnj s PRO 42 Cb 0.00 -1.91 1.52 0.00 0.04 0.00 0.00 34.50 34.15 3fnj s PRO 42 CO 0.00 -1.28 1.94 0.00 0.04 0.00 0.00 177.00 177.70 3fnj h ALA 43 N 0.81 2.06 -0.20 8.56 0.00 -1.99 0.84 119.26 129.34 3fnj h ALA 43 Ca -0.50 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 3fnj h ALA 43 Cb 1.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3fnj h ALA 43 CO 0.55 -0.61 -0.31 -0.56 0.00 0.00 0.00 179.25 178.32 3fnj h GLN 44 N 0.00 0.39 0.16 0.00 3.07 -1.99 0.08 115.11 116.82 3fnj h GLN 44 Ca 0.18 -0.16 -0.33 0.00 0.09 0.00 0.00 58.65 58.42 3fnj h GLN 44 Cb 1.00 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.55 3fnj h GLN 44 CO -0.00 0.66 -1.67 0.28 0.09 0.00 0.00 178.83 178.19 3fnj h VAL 45 N 0.34 1.01 0.04 1.86 2.07 -1.21 -3.38 116.25 116.98 3fnj h VAL 45 Ca 0.04 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 3fnj h VAL 45 Cb 0.72 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3fnj h VAL 45 CO 0.06 0.83 -0.02 0.11 0.02 0.00 0.00 177.57 178.57 3fnj h LYS 46 N 0.09 -0.05 0.00 1.57 1.57 -1.37 -3.46 116.57 114.93 3fnj h LYS 46 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3fnj h LYS 46 Cb 2.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.39 3fnj h LYS 46 CO 0.17 0.51 0.00 0.36 -0.57 0.00 0.00 179.45 179.92 3fnj n LYS 47 N -4.83 0.00 -4.33 3.15 0.00 0.01 -4.81 118.16 107.35 3fnj n LYS 47 Ca -0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.97 3fnj n LYS 47 Cb 0.30 -2.04 -0.09 0.00 -0.00 0.00 0.00 35.03 33.20 3fnj n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3fnj s ASP 48 N -0.89 4.20 -0.30 -5.58 1.01 -1.26 -4.12 116.67 109.72 3fnj s ASP 48 Ca 0.00 -1.16 -0.23 0.00 0.71 0.00 0.00 52.55 51.87 3fnj s ASP 48 Cb 0.00 -0.46 0.20 0.00 1.01 0.00 0.00 42.92 43.67 3fnj s ASP 48 CO 0.00 -0.46 1.45 -1.58 0.21 0.00 0.00 175.17 174.78 3fnj s GLN 49 N -3.81 0.01 0.34 8.23 0.74 -0.99 -4.92 119.66 119.28 3fnj s GLN 49 Ca 0.38 0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.52 3fnj s GLN 49 Cb 0.05 0.01 -0.11 0.00 1.10 0.00 0.00 33.01 34.06 3fnj s GLN 49 CO 0.20 -0.00 1.41 0.42 -0.55 0.00 0.00 175.29 176.78 3fnj s ILE 50 N 0.22 2.38 -0.41 -2.34 1.01 -1.26 -0.81 121.20 119.99 3fnj s ILE 50 Ca 0.04 0.37 -0.40 0.00 0.00 0.00 0.00 60.65 60.66 3fnj s ILE 50 Cb -0.04 -3.24 -0.16 0.00 0.01 0.00 0.00 42.46 39.03 3fnj s ILE 50 CO -0.15 0.08 2.04 1.17 0.00 0.00 0.00 174.94 178.09 3fnj n LYS 51 N 0.84 0.60 -0.69 2.79 3.00 -0.95 -0.16 118.16 123.59 3fnj n LYS 51 Ca 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 3fnj n LYS 51 Cb 0.40 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.47 3fnj n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fnj n GLY 52 N 6.28 0.81 3.75 3.14 0.00 -1.26 -5.03 105.19 112.88 3fnj n GLY 52 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 3fnj n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnj s ALA 53 N -3.11 2.20 -0.20 4.61 0.00 0.78 -4.67 121.76 121.36 3fnj s ALA 53 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 3fnj s ALA 53 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3fnj s ALA 53 CO 0.00 -1.75 -0.07 0.42 0.00 0.00 0.00 175.76 174.37 3fnj s ILE 54 N -2.50 3.26 0.68 0.00 1.01 0.60 -4.95 121.20 119.31 3fnj s ILE 54 Ca 0.66 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 3fnj s ILE 54 Cb -0.21 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3fnj s ILE 54 CO 0.49 0.45 1.09 0.00 0.00 0.00 0.00 174.94 176.97 3fnj s ALA 55 N 1.26 2.50 0.02 9.38 0.00 -1.26 -1.40 121.76 132.24 3fnj s ALA 55 Ca 0.03 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.42 3fnj s ALA 55 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3fnj s ALA 55 CO -0.03 -1.31 -0.15 -2.14 0.00 0.00 0.00 175.76 172.14 3fnj s PRO 57 N -4.44 1.10 0.28 0.00 0.02 -1.25 -4.93 135.00 125.78 3fnj s PRO 57 Ca 0.63 -0.67 -0.03 0.00 0.02 0.00 0.00 61.00 60.95 3fnj s PRO 57 Cb -0.18 -1.10 0.38 0.00 0.02 0.00 0.00 34.50 33.62 3fnj s PRO 57 CO 0.46 0.29 1.95 0.00 -0.33 0.00 0.00 177.00 179.37 3fnj h ALA 58 N 5.31 1.35 0.00 -1.55 0.00 -1.29 -1.60 119.26 121.48 3fnj h ALA 58 Ca -0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3fnj h ALA 58 Cb 1.17 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3fnj h ALA 58 CO 0.46 0.59 0.00 0.36 0.00 0.00 0.00 179.25 180.66 3fnj n LYS 59 N -4.39 0.67 0.00 0.00 0.00 -1.26 -2.96 118.16 110.22 3fnj n LYS 59 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 3fnj n LYS 59 Cb 0.03 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 3fnj n LYS 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3fnj n ASP 60 N -0.49 0.26 -0.29 -5.58 8.00 -0.66 -4.86 116.55 112.94 3fnj n ASP 60 Ca 0.00 -0.13 0.05 0.00 0.71 0.00 0.00 54.79 55.42 3fnj n ASP 60 Cb 0.00 0.31 0.19 0.00 -0.02 0.00 0.00 41.12 41.60 3fnj n ASP 60 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3fnj h LEU 61 N 0.00 0.61 -0.24 0.64 5.85 -1.30 -0.08 115.31 120.79 3fnj h LEU 61 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3fnj h LEU 61 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3fnj h LEU 61 CO 0.00 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 178.41 3fnj n ALA 62 N -2.40 1.42 0.25 1.25 0.00 -1.26 -0.93 120.51 118.84 3fnj n ALA 62 Ca 0.15 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.64 3fnj n ALA 62 Cb 0.34 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 3fnj n ALA 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fnj n THR 63 N -1.68 0.00 -0.02 0.00 -1.04 -0.15 -4.58 114.28 106.80 3fnj n THR 63 Ca 0.02 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3fnj n THR 63 Cb 0.12 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 3fnj n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fnj n ARG 64 N -1.42 1.38 0.16 -2.82 1.74 -0.54 -4.73 116.66 110.42 3fnj n ARG 64 Ca 0.00 -1.08 0.18 0.00 -0.77 0.00 0.00 57.85 56.18 3fnj n ARG 64 Cb 0.17 -0.99 0.78 0.00 -1.02 0.00 0.00 32.46 31.41 3fnj n ARG 64 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3fnj h ILE 65 N 0.05 0.52 0.00 0.55 2.10 -1.28 -1.25 117.51 118.20 3fnj h ILE 65 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3fnj h ILE 65 Cb 0.31 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 3fnj h ILE 65 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 3fnj n GLY 66 N -1.46 -0.64 0.12 8.18 0.00 -1.26 -0.79 105.19 109.34 3fnj n GLY 66 Ca 0.03 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3fnj n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fnj h GLU 67 N 0.00 0.00 -6.74 1.61 5.08 -1.62 -3.46 114.58 109.45 3fnj h GLU 67 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3fnj h GLU 67 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3fnj h GLU 67 CO 0.00 0.00 0.04 -0.51 -1.00 0.00 0.00 179.01 177.54 3fnj s LEU 68 N -4.99 3.90 -0.29 1.33 1.43 0.03 -5.07 118.68 115.03 3fnj s LEU 68 Ca 0.07 1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 54.08 3fnj s LEU 68 Cb 0.10 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 3fnj s LEU 68 CO 0.68 -0.33 0.16 -0.62 0.23 0.00 0.00 176.35 176.47 3fnj s ASP 69 N -3.13 5.72 0.24 2.29 2.15 -1.26 -5.01 116.67 117.67 3fnj s ASP 69 Ca 0.49 -0.23 -0.06 0.00 0.43 0.00 0.00 52.55 53.18 3fnj s ASP 69 Cb -0.10 -2.05 0.43 0.00 -0.30 0.00 0.00 42.92 40.89 3fnj s ASP 69 CO 0.30 -0.11 1.68 -0.65 -0.17 0.00 0.00 175.17 176.23 3fnj h PRO 70 N 8.35 0.23 -0.02 4.34 0.11 -1.97 -1.23 132.00 141.81 3fnj h PRO 70 Ca -0.35 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3fnj h PRO 70 Cb 1.17 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fnj h PRO 70 CO 0.58 0.15 0.03 0.00 -0.21 0.00 0.00 178.00 178.56 3fnj h ALA 71 N 1.60 1.40 -2.32 -0.75 0.00 -1.97 -3.43 119.26 113.80 3fnj h ALA 71 Ca 0.40 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.81 3fnj h ALA 71 Cb 0.67 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.53 3fnj h ALA 71 CO -0.52 -0.04 0.38 0.15 0.00 0.00 0.00 179.25 179.22 3fnj s LYS 72 N -4.48 3.30 -0.23 0.00 -0.14 -0.47 -5.04 119.74 112.67 3fnj s LYS 72 Ca -0.05 1.03 -0.05 0.00 -1.36 0.00 0.00 55.97 55.54 3fnj s LYS 72 Cb 0.14 -2.04 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 3fnj s LYS 72 CO 0.50 -0.82 -0.01 0.99 -0.76 0.00 0.00 175.35 175.25 3fnj s THR 73 N -2.78 3.65 0.15 2.17 2.01 -1.21 -4.44 115.64 115.20 3fnj s THR 73 Ca 0.60 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 3fnj s THR 73 Cb -0.14 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.64 3fnj s THR 73 CO 0.45 0.40 0.45 -0.31 -0.69 0.00 0.00 174.62 174.92 3fnj s TYR 74 N 1.47 3.50 -0.25 4.92 2.02 -0.45 -1.42 117.35 127.12 3fnj s TYR 74 Ca 0.05 0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 57.51 3fnj s TYR 74 Cb -0.14 -2.15 0.07 0.00 -0.40 0.00 0.00 41.96 39.34 3fnj s TYR 74 CO -0.01 0.40 0.02 0.08 -1.57 0.00 0.00 175.55 174.47 3fnj s VAL 75 N -1.63 1.17 0.08 0.71 1.01 0.28 -1.56 120.40 120.48 3fnj s VAL 75 Ca 0.41 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3fnj s VAL 75 Cb -0.13 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 3fnj s VAL 75 CO 0.21 -0.33 0.41 0.68 0.00 0.00 0.00 175.10 176.08 3fnj s VAL 76 N 1.52 5.08 0.02 2.92 -7.23 -0.42 -0.46 120.40 121.83 3fnj s VAL 76 Ca 0.01 0.49 -0.07 0.00 -1.81 0.00 0.00 61.98 60.59 3fnj s VAL 76 Cb -0.18 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.11 3fnj s VAL 76 CO -0.12 0.29 0.14 -0.72 -0.31 0.00 0.00 175.10 174.38 3fnj s TYR 77 N -1.40 0.08 0.00 2.82 1.13 -0.75 -0.97 117.35 118.26 3fnj s TYR 77 Ca 0.33 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.73 3fnj s TYR 77 Cb -0.14 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 3fnj s TYR 77 CO 0.18 -0.34 0.00 -3.47 -2.51 0.00 0.00 175.55 169.41 3fnj n ASP 78 N 1.09 1.94 0.00 -0.18 4.64 -1.26 -2.07 116.55 120.71 3fnj n ASP 78 Ca -0.21 -0.62 -0.11 0.00 -1.38 0.00 0.00 54.79 52.47 3fnj n ASP 78 Cb 0.57 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.59 3fnj n ASP 78 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 3fnj h TRP 79 N 0.62 0.10 0.00 -0.67 4.06 -1.98 -2.79 115.95 115.29 3fnj h TRP 79 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3fnj h TRP 79 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 3fnj h TRP 79 CO 0.00 0.09 -0.14 0.25 -3.56 0.00 0.00 178.44 175.08 3fnj n THR 80 N -5.02 0.00 -0.79 1.49 -2.24 -1.26 -2.19 114.28 104.26 3fnj n THR 80 Ca -0.06 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3fnj n THR 80 Cb 0.04 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3fnj n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fnj n GLY 81 N 0.59 0.77 1.48 3.38 0.00 -1.26 -4.53 105.19 105.63 3fnj n GLY 81 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3fnj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fnj n GLY 82 N -2.00 2.69 2.02 -0.02 0.00 -1.26 -4.89 105.19 101.72 3fnj n GLY 82 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 3fnj n GLY 82 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fnj n THR 83 N 0.22 0.00 -0.21 2.61 -2.24 -1.26 -5.06 114.28 108.34 3fnj n THR 83 Ca 0.22 -1.41 0.12 0.00 -2.27 0.00 0.00 64.05 60.71 3fnj n THR 83 Cb 0.94 0.45 0.31 0.00 -2.10 0.00 0.00 70.33 69.93 3fnj n THR 83 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3fnj n THR 84 N -0.59 0.90 -0.08 4.28 -2.24 -1.26 -4.42 114.28 110.88 3fnj n THR 84 Ca -0.05 -0.93 -0.07 0.00 -2.27 0.00 0.00 64.05 60.72 3fnj n THR 84 Cb 0.37 0.54 0.11 0.00 -2.10 0.00 0.00 70.33 69.24 3fnj n THR 84 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3fnj h LEU 85 N 4.23 0.76 -0.23 3.22 5.85 -1.97 -1.82 115.31 125.35 3fnj h LEU 85 Ca 0.00 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3fnj h LEU 85 Cb 0.96 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3fnj h LEU 85 CO 0.00 0.95 -0.05 1.23 -0.34 0.00 0.00 178.44 180.22 3fnj h GLY 86 N 0.97 0.48 1.59 3.75 0.00 -1.94 -2.97 103.07 104.95 3fnj h GLY 86 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3fnj h GLY 86 CO 0.05 0.36 -0.32 0.50 0.00 0.00 0.00 176.54 177.13 3fnj h LYS 87 N 0.18 0.47 0.12 4.80 1.57 -1.83 -1.97 116.57 119.90 3fnj h LYS 87 Ca 0.06 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3fnj h LYS 87 Cb 0.51 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3fnj h LYS 87 CO 0.02 0.73 -0.27 1.15 -0.57 0.00 0.00 179.45 180.52 3fnj h THR 88 N 0.40 0.41 -0.39 -0.16 2.02 -1.29 -0.20 112.91 113.71 3fnj h THR 88 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3fnj h THR 88 Cb 0.76 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3fnj h THR 88 CO 0.06 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.19 3fnj h ALA 89 N 0.24 0.50 -0.76 6.16 0.00 -1.44 -2.80 119.26 121.16 3fnj h ALA 89 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3fnj h ALA 89 Cb 0.51 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3fnj h ALA 89 CO -0.15 -0.08 0.42 1.25 0.00 0.00 0.00 179.25 180.69 3fnj h LEU 90 N 0.50 0.61 -0.84 0.00 5.85 -0.97 -1.26 115.31 119.20 3fnj h LEU 90 Ca 0.15 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3fnj h LEU 90 Cb -0.02 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3fnj h LEU 90 CO -0.05 0.36 0.55 0.25 -0.34 0.00 0.00 178.44 179.21 3fnj h LEU 91 N 0.73 0.96 0.08 2.25 5.85 -0.77 0.25 115.31 124.66 3fnj h LEU 91 Ca 0.36 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 3fnj h LEU 91 Cb 0.30 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3fnj h LEU 91 CO -0.23 0.70 -0.04 0.58 -0.34 0.00 0.00 178.44 179.12 3fnj h VAL 92 N 1.14 0.98 -0.63 1.05 2.07 -1.24 -1.67 116.25 117.95 3fnj h VAL 92 Ca 0.31 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3fnj h VAL 92 Cb -0.13 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3fnj h VAL 92 CO -0.07 0.05 0.26 -0.07 0.02 0.00 0.00 177.57 177.77 3fnj h LEU 93 N -0.20 0.86 -1.07 2.57 3.38 -0.91 -1.89 115.31 118.05 3fnj h LEU 93 Ca -0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3fnj h LEU 93 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fnj h LEU 93 CO 0.02 0.79 -0.35 -0.07 0.09 0.00 0.00 178.44 178.92 3fnj h LEU 94 N 0.88 0.21 -0.35 1.67 3.38 -0.47 -1.67 115.31 118.96 3fnj h LEU 94 Ca 0.21 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3fnj h LEU 94 Cb 0.19 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fnj h LEU 94 CO -0.02 0.56 -0.77 0.28 0.09 0.00 0.00 178.44 178.58 3fnj h SER 95 N 0.18 0.51 0.00 -0.43 0.02 -1.08 -2.91 113.55 109.84 3fnj h SER 95 Ca 0.02 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3fnj h SER 95 Cb 0.71 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3fnj h SER 95 CO 0.05 1.10 0.00 0.00 -1.14 0.00 0.00 176.83 176.85 3fnj n ALA 96 N -2.52 2.22 -0.51 3.77 0.00 -0.73 -4.82 120.51 117.92 3fnj n ALA 96 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3fnj n ALA 96 Cb 0.73 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3fnj n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnj n GLY 97 N 0.24 0.84 3.75 0.00 0.00 -1.10 -5.06 105.19 103.87 3fnj n GLY 97 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3fnj n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fnj s PHE 98 N -3.07 1.81 -0.27 1.61 0.08 -0.64 -5.01 117.98 112.49 3fnj s PHE 98 Ca 0.00 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.75 3fnj s PHE 98 Cb 0.00 -3.52 0.07 0.00 -0.57 0.00 0.00 43.02 39.00 3fnj s PHE 98 CO 0.00 -2.85 -0.04 -2.00 -0.10 0.00 0.00 175.22 170.23 3fnj s GLU 99 N -5.39 1.74 0.08 0.44 2.12 -1.26 -4.47 118.70 111.96 3fnj s GLU 99 Ca 0.67 -1.27 0.01 0.00 0.36 0.00 0.00 54.97 54.74 3fnj s GLU 99 Cb -0.12 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 3fnj s GLU 99 CO 0.54 -0.67 -0.05 0.00 -0.54 0.00 0.00 175.26 174.54 3fnj s ALA 100 N 1.23 0.76 0.08 6.30 0.00 -1.26 -1.34 121.76 127.53 3fnj s ALA 100 Ca -0.03 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 3fnj s ALA 100 Cb -0.19 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3fnj s ALA 100 CO -0.07 -0.29 -0.02 0.71 0.00 0.00 0.00 175.76 176.09 3fnj s TYR 101 N -3.67 0.70 -0.10 0.00 2.02 -0.60 -4.94 117.35 110.77 3fnj s TYR 101 Ca 0.09 -1.07 -0.13 0.00 -0.37 0.00 0.00 57.07 55.59 3fnj s TYR 101 Cb 0.06 -0.45 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 3fnj s TYR 101 CO -0.07 -0.35 0.31 -2.00 -1.57 0.00 0.00 175.55 171.87 3fnj s GLU 102 N -3.93 3.99 -0.20 -0.62 2.12 0.36 -1.29 118.70 119.12 3fnj s GLU 102 Ca 0.12 0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 3fnj s GLU 102 Cb 0.07 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 3fnj s GLU 102 CO -0.06 0.49 1.63 -1.17 -0.54 0.00 0.00 175.26 175.61 3fnj s LEU 103 N -0.32 3.93 0.11 2.70 2.96 -0.14 -1.72 118.68 126.19 3fnj s LEU 103 Ca 0.19 1.69 -0.31 0.00 -0.22 0.00 0.00 54.13 55.48 3fnj s LEU 103 Cb -0.14 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 3fnj s LEU 103 CO 0.07 -1.24 1.86 0.00 -1.32 0.00 0.00 176.35 175.73 3fnj s ALA 104 N 5.14 3.74 0.00 5.97 0.00 -0.94 -0.93 121.76 134.73 3fnj s ALA 104 Ca 0.72 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3fnj s ALA 104 Cb -0.26 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3fnj s ALA 104 CO 0.29 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3fnj n GLY 105 N 4.30 3.20 7.00 0.00 0.00 -1.26 -4.45 105.19 113.98 3fnj n GLY 105 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3fnj n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnj n ALA 106 N -0.88 0.00 -0.09 4.61 0.00 -0.11 -1.57 120.51 122.47 3fnj n ALA 106 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3fnj n ALA 106 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3fnj n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fnj h LEU 107 N 0.00 0.40 -0.50 0.00 5.85 -1.54 -2.52 115.31 117.00 3fnj h LEU 107 Ca 0.00 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.64 3fnj h LEU 107 Cb 0.00 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.83 3fnj h LEU 107 CO 0.00 0.47 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.06 3fnj h GLU 108 N 0.30 -0.07 -0.01 1.25 5.08 -1.55 0.27 114.58 119.85 3fnj h GLU 108 Ca 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3fnj h GLU 108 Cb 0.21 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3fnj h GLU 108 CO -0.01 -0.05 -0.07 0.78 -1.00 0.00 0.00 179.01 178.67 3fnj h GLY 109 N -0.07 -0.07 0.53 -3.84 0.00 -1.19 0.77 103.07 99.20 3fnj h GLY 109 Ca 0.24 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.72 3fnj h GLY 109 CO -0.55 -0.08 0.19 -0.25 0.00 0.00 0.00 176.54 175.85 3fnj h TRP 110 N -0.12 0.33 -0.14 5.60 2.91 -0.88 -2.11 115.95 121.53 3fnj h TRP 110 Ca 0.03 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.92 3fnj h TRP 110 Cb 0.16 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3fnj h TRP 110 CO -0.14 0.11 -0.56 0.87 -1.03 0.00 0.00 178.44 177.68 3fnj h LYS 111 N 0.37 0.44 -1.88 2.65 1.57 -0.77 -1.52 116.57 117.43 3fnj h LYS 111 Ca 0.24 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fnj h LYS 111 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3fnj h LYS 111 CO -0.25 0.88 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 3fnj n GLY 112 N 0.24 0.95 0.76 3.86 0.00 0.25 -4.48 105.19 106.76 3fnj n GLY 112 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 3fnj n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fnj n GLN 114 N 1.45 0.00 -2.63 1.61 1.13 -1.02 -5.07 117.38 112.84 3fnj n GLN 114 Ca 0.00 -0.55 -0.32 0.00 -1.94 0.00 0.00 57.00 54.18 3fnj n GLN 114 Cb 0.16 0.31 -0.05 0.00 0.11 0.00 0.00 30.24 30.77 3fnj n GLN 114 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fnj s LEU 115 N 0.00 3.79 -0.39 1.08 1.43 -0.60 -4.92 118.68 119.06 3fnj s LEU 115 Ca 0.00 1.58 -0.36 0.00 -1.03 0.00 0.00 54.13 54.32 3fnj s LEU 115 Cb 0.00 -4.47 -0.15 0.00 0.03 0.00 0.00 46.19 41.59 3fnj s LEU 115 CO 0.00 -0.47 1.51 -0.81 0.23 0.00 0.00 176.35 176.82 3fnj n PRO 116 N -1.12 0.00 -4.24 1.29 -0.04 -1.26 -4.71 135.00 124.92 3fnj n PRO 116 Ca 0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 3fnj n PRO 116 Cb 0.54 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.68 3fnj n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fnj s VAL 117 N 3.76 0.69 0.30 0.52 1.01 -1.26 -2.25 120.40 123.17 3fnj s VAL 117 Ca 0.90 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3fnj s VAL 117 Cb -1.18 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3fnj s VAL 117 CO 0.57 -0.01 0.01 -1.83 0.00 0.00 0.00 175.10 173.84 3fnj s GLU 118 N -0.75 1.60 -0.18 2.72 -1.05 0.01 -4.82 118.70 116.24 3fnj s GLU 118 Ca -0.01 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 52.96 3fnj s GLU 118 Cb -0.06 -0.98 0.01 0.00 -0.44 0.00 0.00 34.13 32.66 3fnj s GLU 118 CO 0.00 -0.09 -0.18 0.99 0.95 0.00 0.00 175.26 176.93 3fnj s THR 119 N -3.18 2.28 0.00 1.83 2.01 -1.26 -2.34 115.64 114.98 3fnj s THR 119 Ca 0.33 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3fnj s THR 119 Cb 0.07 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.61 3fnj s THR 119 CO 0.14 0.52 0.00 -0.11 -0.69 0.00 0.00 174.62 174.48