#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 1.04 -0.62 1.20 3.32 -2.05 -1.63 116.42 117.69 3fnj h ASP 3 Ca 0.00 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.90 3fnj h ASP 3 Cb 0.00 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 3fnj h ASP 3 CO 0.00 0.97 0.34 0.11 -1.72 0.00 0.00 179.24 178.95 3fnj h LYS 4 N 1.07 0.63 -0.02 3.56 1.57 -2.05 0.39 116.57 121.72 3fnj h LYS 4 Ca 0.23 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3fnj h LYS 4 Cb 0.31 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3fnj h LYS 4 CO -0.01 0.42 -0.55 0.87 -0.57 0.00 0.00 179.45 179.61 3fnj h LYS 5 N 0.65 0.06 -0.06 3.15 1.57 -1.92 -0.67 116.57 119.35 3fnj h LYS 5 Ca 0.27 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 3fnj h LYS 5 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3fnj h LYS 5 CO -0.16 0.60 -0.73 0.82 -0.57 0.00 0.00 179.45 179.41 3fnj h ILE 6 N 0.05 1.40 -0.01 1.86 2.04 -0.45 -1.13 117.51 121.27 3fnj h ILE 6 Ca -0.00 -2.20 -0.00 0.00 1.00 0.00 0.00 64.86 63.66 3fnj h ILE 6 Cb 0.99 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3fnj h ILE 6 CO 0.08 0.65 0.00 -0.08 0.00 0.00 0.00 178.15 178.80 3fnj h GLU 7 N 0.21 0.02 -0.25 2.37 4.57 0.02 -1.82 114.58 119.71 3fnj h GLU 7 Ca -0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3fnj h GLU 7 Cb 1.29 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 3fnj h GLU 7 CO 0.12 0.31 0.15 1.25 -1.18 0.00 0.00 179.01 179.66 3fnj h LEU 8 N -0.28 0.30 -0.97 1.64 5.85 -1.07 -1.48 115.31 119.30 3fnj h LEU 8 Ca 0.00 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3fnj h LEU 8 Cb 0.30 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3fnj h LEU 8 CO 0.00 0.25 0.21 -0.07 -0.34 0.00 0.00 178.44 178.49 3fnj h LEU 9 N 0.31 0.89 -0.07 2.25 3.38 -1.23 0.80 115.31 121.64 3fnj h LEU 9 Ca 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3fnj h LEU 9 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3fnj h LEU 9 CO -0.02 0.83 -0.02 0.74 0.09 0.00 0.00 178.44 180.06 3fnj h THR 10 N 0.93 1.29 -0.38 0.22 2.02 -1.12 -1.36 112.91 114.50 3fnj h THR 10 Ca 0.21 -0.93 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 3fnj h THR 10 Cb 0.25 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3fnj h THR 10 CO -0.01 0.26 -0.29 0.74 0.37 0.00 0.00 175.52 176.59 3fnj h THR 11 N -0.19 1.28 -0.38 3.16 2.02 -1.22 -2.57 112.91 115.01 3fnj h THR 11 Ca 0.02 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 3fnj h THR 11 Cb 0.42 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3fnj h THR 11 CO 0.01 0.48 0.22 0.22 0.37 0.00 0.00 175.52 176.82 3fnj h TYR 12 N 0.68 0.51 0.00 3.16 3.20 -0.87 -2.72 116.97 120.94 3fnj h TYR 12 Ca 0.07 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3fnj h TYR 12 Cb 0.87 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3fnj h TYR 12 CO 0.06 0.38 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.69 3fnj h LEU 13 N 0.49 0.00 0.00 2.82 3.38 -1.22 -2.66 115.31 118.11 3fnj h LEU 13 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fnj h LEU 13 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fnj h LEU 13 CO -0.02 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 3fnj n SER 14 N -3.49 0.00 0.09 -0.43 3.41 -0.97 -2.44 113.62 109.78 3fnj n SER 14 Ca -0.01 0.27 -0.15 0.00 -0.26 0.00 0.00 58.87 58.72 3fnj n SER 14 Cb 0.37 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 3fnj n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fnj h LEU 15 N 0.00 0.52-10.67 1.04 3.38 -1.51 -3.47 115.31 104.60 3fnj h LEU 15 Ca 0.00 -0.48 -0.46 0.00 0.09 0.00 0.00 57.88 57.03 3fnj h LEU 15 Cb 0.20 -0.16 0.08 0.00 0.09 0.00 0.00 40.66 40.87 3fnj h LEU 15 CO 0.00 1.32 0.12 -0.31 0.09 0.00 0.00 178.44 179.66 3fnj s TYR 16 N -2.99 1.90 -0.10 1.13 1.51 -1.02 -0.04 117.35 117.74 3fnj s TYR 16 Ca -0.05 -0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3fnj s TYR 16 Cb 0.08 -3.06 0.04 0.00 -0.11 0.00 0.00 41.96 38.90 3fnj s TYR 16 CO 0.88 -1.63 0.25 -1.50 -1.11 0.00 0.00 175.55 172.44 3fnj s ILE 17 N -3.15 -0.03 0.39 2.71 2.07 -0.73 -4.63 121.20 117.83 3fnj s ILE 17 Ca 0.65 0.10 -0.26 0.00 -1.41 0.00 0.00 60.65 59.72 3fnj s ILE 17 Cb -0.06 -0.37 -0.11 0.00 0.13 0.00 0.00 42.46 42.05 3fnj s ILE 17 CO 0.44 0.04 1.27 -0.67 -1.91 0.00 0.00 174.94 174.11 3fnj n ASP 18 N 3.81 2.61 0.23 4.50 -0.08 -1.26 -2.21 116.55 124.15 3fnj n ASP 18 Ca -0.21 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.35 3fnj n ASP 18 Cb 0.55 -1.49 0.33 0.00 2.34 0.00 0.00 41.12 42.85 3fnj n ASP 18 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 3fnj h HIS 19 N 2.27 0.00 0.00 -0.67 2.07 -1.98 -2.83 115.15 114.01 3fnj h HIS 19 Ca -0.47 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 56.97 3fnj h HIS 19 Cb 1.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 3fnj h HIS 19 CO 0.49 0.00 -0.37 0.45 -3.07 0.00 0.00 177.93 175.43 3fnj h HIS 20 N 0.00 0.00 0.08 6.12 3.86 -1.97 -1.74 115.15 121.51 3fnj h HIS 20 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 3fnj h HIS 20 Cb 0.85 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.34 3fnj h HIS 20 CO 0.00 0.37 -1.09 1.15 0.86 0.00 0.00 177.93 179.22 3fnj h THR 21 N 0.00 1.32 -0.39 2.45 2.02 -1.88 -2.38 112.91 114.04 3fnj h THR 21 Ca -0.00 -2.37 -0.14 0.00 0.77 0.00 0.00 66.41 64.67 3fnj h THR 21 Cb 0.74 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3fnj h THR 21 CO 0.05 0.72 -0.29 0.58 0.37 0.00 0.00 175.52 176.95 3fnj h VAL 22 N 0.20 1.28 0.04 3.16 2.07 -1.43 -3.01 116.25 118.55 3fnj h VAL 22 Ca -0.16 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 3fnj h VAL 22 Cb 1.78 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3fnj h VAL 22 CO 0.21 0.49 -0.02 0.25 0.02 0.00 0.00 177.57 178.52 3fnj h LEU 23 N 0.69 -0.04 0.00 2.57 6.46 -1.42 -2.87 115.31 120.70 3fnj h LEU 23 Ca 0.07 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 3fnj h LEU 23 Cb 0.87 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 3fnj h LEU 23 CO 0.08 0.42 0.01 0.00 -0.62 0.00 0.00 178.44 178.33 3fnj n ALA 24 N -2.36 1.11 -1.13 1.25 0.00 -0.90 -1.32 120.51 117.16 3fnj n ALA 24 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 3fnj n ALA 24 Cb 0.24 -0.97 0.26 0.00 0.00 0.00 0.00 19.45 18.98 3fnj n ALA 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3fnj n ASP 25 N -1.35 4.36 0.00 0.00 -0.08 -1.09 -3.86 116.55 114.53 3fnj n ASP 25 Ca 0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 49.90 3fnj n ASP 25 Cb 0.01 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.70 3fnj n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fnj n GLN 27 N -0.55 0.00 -0.23 -0.67 -0.00 -0.44 -2.10 117.38 113.39 3fnj n GLN 27 Ca 0.47 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 57.55 3fnj n GLN 27 Cb 1.47 0.00 0.21 0.00 -0.00 0.00 0.00 30.24 31.92 3fnj n GLN 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3fnj n ASN 28 N 0.00 3.25 -2.28 2.61 3.02 -1.25 -4.96 115.26 115.64 3fnj n ASN 28 Ca 0.00 -1.97 -0.07 0.00 -0.03 0.00 0.00 54.58 52.52 3fnj n ASN 28 Cb 0.00 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 3fnj n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fnj n ALA 29 N 0.97 -0.77 0.19 5.41 0.00 -1.22 -4.78 120.51 120.31 3fnj n ALA 29 Ca 0.16 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.70 3fnj n ALA 29 Cb 0.50 -1.00 0.39 0.00 0.00 0.00 0.00 19.45 19.34 3fnj n ALA 29 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3fnj h THR 30 N 0.00 1.14 -6.77 0.00 2.02 -1.74 -3.47 112.91 104.08 3fnj h THR 30 Ca -0.15 -1.24 -0.56 0.00 0.77 0.00 0.00 66.41 65.23 3fnj h THR 30 Cb 1.02 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 69.06 3fnj h THR 30 CO 0.18 0.34 -0.97 0.61 0.37 0.00 0.00 175.52 176.06 3fnj n GLY 31 N -0.38 -0.57 0.55 2.16 0.00 -1.12 -4.87 105.19 100.96 3fnj n GLY 31 Ca -0.02 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.66 1.00 -4.49 1.61 2.85 -1.26 -4.93 118.16 108.26 3fnj n LYS 32 Ca -0.20 -1.30 -0.25 0.00 -1.05 0.00 0.00 58.31 55.51 3fnj n LYS 32 Cb 0.63 -1.26 -0.17 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.19 1.42 -0.43 5.58 2.02 -1.26 -4.08 117.35 119.40 3fnj s TYR 33 Ca 0.16 -0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 3fnj s TYR 33 Cb 0.12 -1.06 0.08 0.00 -0.40 0.00 0.00 41.96 40.70 3fnj s TYR 33 CO 0.18 -0.29 0.28 0.08 -1.57 0.00 0.00 175.55 174.23 3fnj s VAL 34 N 0.78 4.32 0.14 0.71 1.01 0.73 -4.97 120.40 123.12 3fnj s VAL 34 Ca -0.13 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 3fnj s VAL 34 Cb -0.15 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3fnj s VAL 34 CO 0.02 -0.55 1.22 -0.69 0.00 0.00 0.00 175.10 175.11 3fnj s VAL 35 N 1.44 3.69 -0.13 2.92 1.01 -1.26 -1.26 120.40 126.81 3fnj s VAL 35 Ca 0.03 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.35 3fnj s VAL 35 Cb -0.23 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3fnj s VAL 35 CO 0.02 0.16 -0.16 -0.76 0.00 0.00 0.00 175.10 174.36 3fnj s LEU 36 N 0.34 1.79 -0.68 3.92 1.43 0.90 -2.22 118.68 124.16 3fnj s LEU 36 Ca 0.56 -0.49 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 3fnj s LEU 36 Cb -0.32 -1.20 0.08 0.00 0.03 0.00 0.00 46.19 44.79 3fnj s LEU 36 CO 0.33 -0.00 0.93 -0.62 0.23 0.00 0.00 176.35 177.22 3fnj s ASP 37 N 1.15 6.23 -0.29 2.29 -1.08 -0.03 -1.98 116.67 122.96 3fnj s ASP 37 Ca -0.02 -1.21 0.03 0.00 -0.52 0.00 0.00 52.55 50.82 3fnj s ASP 37 Cb -0.14 -2.39 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 3fnj s ASP 37 CO -0.05 -1.33 1.60 1.33 0.52 0.00 0.00 175.17 177.24 3fnj n VAL 38 N 5.79 2.44 -2.73 1.11 0.24 -1.19 -3.98 118.33 120.01 3fnj n VAL 38 Ca -0.02 -1.26 -0.38 0.00 -2.04 0.00 0.00 64.34 60.65 3fnj n VAL 38 Cb 0.45 -0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 32.12 3fnj n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3fnj s ARG 39 N -2.18 4.58 0.14 7.34 0.52 -1.26 -2.45 118.95 125.63 3fnj s ARG 39 Ca 0.38 1.41 0.24 0.00 -0.52 0.00 0.00 55.73 57.23 3fnj s ARG 39 Cb 0.32 -2.87 0.21 0.00 0.52 0.00 0.00 34.95 33.13 3fnj s ARG 39 CO 0.07 0.26 1.21 -0.91 0.02 0.00 0.00 175.30 175.95 3fnj h ASN 40 N 3.28 0.00 -3.96 0.23 -0.26 -1.95 -3.40 115.58 109.52 3fnj h ASN 40 Ca -0.47 -0.18 -0.54 0.00 -0.56 0.00 0.00 56.30 54.56 3fnj h ASN 40 Cb 1.20 0.00 0.11 0.00 -1.06 0.00 0.00 38.32 38.56 3fnj h ASN 40 CO 0.65 0.09 0.73 0.00 -1.06 0.00 0.00 177.43 177.84 3fnj s ALA 41 N -3.22 3.43 1.11 -0.83 0.00 -1.26 -4.97 121.76 116.01 3fnj s ALA 41 Ca 0.04 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3fnj s ALA 41 Cb 0.12 -3.58 0.25 0.00 0.00 0.00 0.00 23.12 19.92 3fnj s ALA 41 CO 0.75 -1.05 1.06 -1.25 0.00 0.00 0.00 175.76 175.27 3fnj s PRO 42 N -2.20 -0.51 0.32 0.00 0.04 -1.26 -4.70 135.00 126.68 3fnj s PRO 42 Ca 0.56 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.67 3fnj s PRO 42 Cb -0.44 -1.58 0.52 0.00 0.04 0.00 0.00 34.50 33.04 3fnj s PRO 42 CO 0.59 -3.52 1.96 0.00 0.04 0.00 0.00 177.00 176.07 3fnj h ALA 43 N -2.49 1.44 0.00 8.56 0.00 -1.93 -1.63 119.26 123.20 3fnj h ALA 43 Ca -0.57 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3fnj h ALA 43 Cb 1.32 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3fnj h ALA 43 CO 0.47 0.49 -0.00 -0.56 0.00 0.00 0.00 179.25 179.65 3fnj h GLN 44 N 0.94 0.00 0.03 0.00 3.07 -1.98 -2.76 115.11 114.41 3fnj h GLN 44 Ca 0.25 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.65 3fnj h GLN 44 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.48 3fnj h GLN 44 CO -0.05 0.00 -1.86 0.28 0.09 0.00 0.00 178.83 177.30 3fnj n VAL 45 N -3.33 1.59 -2.62 1.86 0.31 -0.66 -4.52 118.33 110.96 3fnj n VAL 45 Ca -0.03 -0.31 -0.41 0.00 -0.01 0.00 0.00 64.34 63.58 3fnj n VAL 45 Cb 0.08 -1.87 0.02 0.00 -0.91 0.00 0.00 33.84 31.16 3fnj n VAL 45 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3fnj n LYS 46 N -4.05 5.21 -0.16 5.55 2.85 -0.94 -4.87 118.16 121.75 3fnj n LYS 46 Ca -0.39 -4.52 0.00 0.00 -1.05 0.00 0.00 58.31 52.36 3fnj n LYS 46 Cb 0.85 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 3fnj n LYS 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3fnj n LYS 47 N 0.38 0.39 -3.58 -1.58 0.00 -1.06 -4.63 118.16 108.07 3fnj n LYS 47 Ca 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.66 3fnj n LYS 47 Cb 0.27 -1.31 -0.05 0.00 -0.00 0.00 0.00 35.03 33.94 3fnj n LYS 47 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 3fnj s ASP 48 N 1.83 -0.36 0.22 -5.58 3.84 -1.26 -4.07 116.67 111.28 3fnj s ASP 48 Ca 0.00 0.41 -0.20 0.00 -0.00 0.00 0.00 52.55 52.76 3fnj s ASP 48 Cb 0.00 0.32 0.04 0.00 -1.38 0.00 0.00 42.92 41.89 3fnj s ASP 48 CO 0.00 -0.33 0.62 0.00 -0.00 0.00 0.00 175.17 175.46 3fnj s GLN 49 N -1.05 1.51 0.34 2.11 -2.07 -0.63 -4.94 119.66 114.93 3fnj s GLN 49 Ca -0.01 -0.81 -0.29 0.00 -1.82 0.00 0.00 55.36 52.43 3fnj s GLN 49 Cb -0.01 0.57 -0.11 0.00 -1.09 0.00 0.00 33.01 32.37 3fnj s GLN 49 CO 0.01 -0.67 1.53 -0.89 -1.32 0.00 0.00 175.29 173.96 3fnj n ILE 50 N -0.40 1.58 -1.63 3.63 5.41 -1.26 -1.78 119.36 124.91 3fnj n ILE 50 Ca -0.10 -0.39 -0.46 0.00 1.00 0.00 0.00 62.75 62.80 3fnj n ILE 50 Cb 0.62 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 3fnj n ILE 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3fnj n LYS 51 N 1.18 1.61 -3.40 0.38 4.81 -0.80 -2.84 118.16 119.10 3fnj n LYS 51 Ca 0.04 0.57 -0.19 0.00 -0.87 0.00 0.00 58.31 57.87 3fnj n LYS 51 Cb 0.38 -2.13 0.04 0.00 0.02 0.00 0.00 35.03 33.34 3fnj n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fnj n GLY 52 N 1.96 -1.13 3.22 3.14 0.00 -1.26 -4.96 105.19 106.16 3fnj n GLY 52 Ca 0.13 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.33 1.53 -0.11 4.61 0.00 -1.13 -4.71 121.76 118.62 3fnj s ALA 53 Ca 0.36 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.09 3fnj s ALA 53 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3fnj s ALA 53 CO 0.79 0.31 0.56 0.42 0.00 0.00 0.00 175.76 177.84 3fnj s ILE 54 N -0.97 5.13 0.51 0.00 -1.09 -0.94 -4.90 121.20 118.94 3fnj s ILE 54 Ca 0.04 1.12 -0.12 0.00 -2.23 0.00 0.00 60.65 59.46 3fnj s ILE 54 Cb -0.09 -3.90 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 3fnj s ILE 54 CO 0.02 0.28 0.92 0.00 -1.23 0.00 0.00 174.94 174.94 3fnj s ALA 55 N 0.79 3.19 -0.11 9.38 0.00 -1.26 -0.85 121.76 132.90 3fnj s ALA 55 Ca 0.30 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3fnj s ALA 55 Cb -0.16 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.06 3fnj s ALA 55 CO 0.13 -0.32 0.26 -2.14 0.00 0.00 0.00 175.76 173.69 3fnj s PRO 57 N -4.41 0.24 0.52 0.00 0.02 -1.26 -4.95 135.00 125.18 3fnj s PRO 57 Ca 0.54 0.51 0.35 0.00 0.02 0.00 0.00 61.00 62.43 3fnj s PRO 57 Cb -0.10 -0.05 1.82 0.00 0.02 0.00 0.00 34.50 36.19 3fnj s PRO 57 CO 0.39 -0.13 2.07 0.00 -0.33 0.00 0.00 177.00 179.00 3fnj h ALA 58 N 6.85 1.00 -0.00 -1.55 0.00 -1.70 -0.15 119.26 123.71 3fnj h ALA 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fnj h ALA 58 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fnj h ALA 58 CO 0.36 0.00 -0.43 0.36 0.00 0.00 0.00 179.25 179.54 3fnj n LYS 59 N -2.78 0.27 0.00 0.00 2.85 -1.26 -3.95 118.16 113.28 3fnj n LYS 59 Ca -0.02 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 3fnj n LYS 59 Cb 0.10 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 3fnj n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fnj n ASP 60 N -1.23 1.40 -0.25 -5.58 8.00 -0.18 -4.79 116.55 113.92 3fnj n ASP 60 Ca 0.08 -1.63 -0.05 0.00 0.71 0.00 0.00 54.79 53.89 3fnj n ASP 60 Cb 0.34 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.79 -0.52 0.64 5.85 -1.38 -1.64 115.31 119.04 3fnj h LEU 61 Ca 0.00 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 3fnj h LEU 61 Cb 0.53 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3fnj h LEU 61 CO 0.00 0.57 -0.68 0.00 -0.34 0.00 0.00 178.44 177.99 3fnj h ALA 62 N 1.26 0.72 -0.24 1.25 0.00 -1.86 -1.92 119.26 118.48 3fnj h ALA 62 Ca 0.26 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3fnj h ALA 62 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3fnj h ALA 62 CO -0.06 0.76 -0.20 1.15 0.00 0.00 0.00 179.25 180.90 3fnj h THR 63 N 0.21 1.25 -0.29 0.00 2.02 -1.81 -3.05 112.91 111.23 3fnj h THR 63 Ca -0.02 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 3fnj h THR 63 Cb 1.22 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3fnj h THR 63 CO 0.11 0.36 0.00 0.54 0.37 0.00 0.00 175.52 176.90 3fnj n ARG 64 N -4.16 3.13 -0.34 6.66 1.74 -0.65 -4.75 116.66 118.29 3fnj n ARG 64 Ca -0.00 -2.88 0.24 0.00 -0.77 0.00 0.00 57.85 54.43 3fnj n ARG 64 Cb 0.37 -1.89 0.50 0.00 -1.02 0.00 0.00 32.46 30.41 3fnj n ARG 64 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3fnj h ILE 65 N 2.03 0.46 0.00 0.55 1.08 -1.23 0.92 117.51 121.32 3fnj h ILE 65 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3fnj h ILE 65 Cb 1.51 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 3fnj h ILE 65 CO 0.25 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.39 3fnj n GLY 66 N -1.44 -0.99 0.31 5.37 0.00 -1.26 -2.42 105.19 104.76 3fnj n GLY 66 Ca 0.27 0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.46 3fnj n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fnj n GLU 67 N -1.78 1.43 -4.16 1.61 1.02 0.32 -4.84 120.64 114.25 3fnj n GLU 67 Ca 0.02 -0.63 -0.35 0.00 -0.02 0.00 0.00 57.16 56.18 3fnj n GLU 67 Cb 0.15 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 3fnj n GLU 67 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fnj s LEU 68 N -2.00 3.92 -0.31 -4.62 1.43 -1.02 -5.08 118.68 111.01 3fnj s LEU 68 Ca 0.41 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 3fnj s LEU 68 Cb 0.21 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3fnj s LEU 68 CO 0.35 0.38 0.44 -0.62 0.23 0.00 0.00 176.35 177.13 3fnj s ASP 69 N -1.05 6.29 0.00 2.29 -1.08 -1.26 -4.94 116.67 116.92 3fnj s ASP 69 Ca 0.15 0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 3fnj s ASP 69 Cb -0.12 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3fnj s ASP 69 CO 0.04 -0.34 0.31 -0.81 0.52 0.00 0.00 175.17 174.90 3fnj n PRO 70 N 5.52 0.32 -0.07 4.34 -0.04 -1.26 -2.36 135.00 141.46 3fnj n PRO 70 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 3fnj n PRO 70 Cb 0.50 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 3fnj n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fnj n ALA 71 N -0.46 1.65 -1.51 0.55 0.00 -1.26 -4.82 120.51 114.65 3fnj n ALA 71 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 53.44 52.31 3fnj n ALA 71 Cb 0.00 0.02 0.06 0.00 0.00 0.00 0.00 19.45 19.54 3fnj n ALA 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fnj s LYS 72 N -2.33 2.78 -0.25 0.00 3.01 -0.99 -5.03 119.74 116.92 3fnj s LYS 72 Ca -0.14 0.98 -0.09 0.00 -1.01 0.00 0.00 55.97 55.72 3fnj s LYS 72 Cb 0.05 -1.97 -0.04 0.00 -1.01 0.00 0.00 37.83 34.86 3fnj s LYS 72 CO 0.48 -1.22 0.11 0.99 0.51 0.00 0.00 175.35 176.22 3fnj s THR 73 N -3.02 4.72 -0.08 2.17 2.01 -1.26 -4.53 115.64 115.64 3fnj s THR 73 Ca 0.59 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 3fnj s THR 73 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3fnj s THR 73 CO 0.55 0.32 0.27 -0.31 -0.69 0.00 0.00 174.62 174.77 3fnj s TYR 74 N 1.51 3.62 -0.25 4.92 2.02 -0.34 -0.19 117.35 128.64 3fnj s TYR 74 Ca 0.06 0.72 0.02 0.00 -0.37 0.00 0.00 57.07 57.50 3fnj s TYR 74 Cb -0.15 -2.16 0.06 0.00 -0.40 0.00 0.00 41.96 39.31 3fnj s TYR 74 CO 0.06 0.59 -0.07 0.08 -1.57 0.00 0.00 175.55 174.64 3fnj s VAL 75 N -0.72 1.78 0.14 0.71 1.01 -0.39 -1.22 120.40 121.71 3fnj s VAL 75 Ca 0.18 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 3fnj s VAL 75 Cb -0.14 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3fnj s VAL 75 CO 0.07 -0.08 0.41 0.68 0.00 0.00 0.00 175.10 176.18 3fnj s VAL 76 N 1.28 5.12 0.02 2.92 -7.23 0.02 -0.07 120.40 122.46 3fnj s VAL 76 Ca -0.07 0.20 -0.01 0.00 -1.81 0.00 0.00 61.98 60.29 3fnj s VAL 76 Cb -0.19 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 3fnj s VAL 76 CO -0.06 0.08 -0.01 -0.72 -0.31 0.00 0.00 175.10 174.09 3fnj s TYR 77 N -1.62 0.26 0.00 2.82 -0.85 -0.84 0.07 117.35 117.19 3fnj s TYR 77 Ca 0.40 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 3fnj s TYR 77 Cb -0.12 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.02 3fnj s TYR 77 CO 0.22 -0.22 0.00 -3.47 -1.52 0.00 0.00 175.55 170.56 3fnj n ASP 78 N 1.42 1.67 0.14 -0.18 -0.08 -1.26 -3.19 116.55 115.08 3fnj n ASP 78 Ca -0.23 -0.44 -0.06 0.00 -1.51 0.00 0.00 54.79 52.55 3fnj n ASP 78 Cb 0.56 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.99 3fnj n ASP 78 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3fnj h TRP 79 N 0.37 -0.37 -2.24 -0.67 4.06 -1.96 -1.81 115.95 113.34 3fnj h TRP 79 Ca 0.00 -0.01 -0.55 0.00 2.06 0.00 0.00 58.89 60.39 3fnj h TRP 79 Cb 0.00 0.12 -0.13 0.00 -1.00 0.00 0.00 29.16 28.15 3fnj h TRP 79 CO 0.00 -0.23 -0.56 -0.08 -3.56 0.00 0.00 178.44 174.01 3fnj s THR 80 N -2.96 1.06 -1.86 1.49 -1.32 -1.26 -0.69 115.64 110.10 3fnj s THR 80 Ca -0.06 -2.00 0.22 0.00 -1.21 0.00 0.00 61.69 58.64 3fnj s THR 80 Cb 0.01 -2.55 0.56 0.00 -1.51 0.00 0.00 72.50 69.01 3fnj s THR 80 CO 0.17 0.00 1.69 0.61 -2.21 0.00 0.00 174.62 174.88 3fnj n GLY 81 N -0.89 -0.76 0.07 6.08 0.00 -1.26 -3.07 105.19 105.36 3fnj n GLY 81 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 0.41 -1.02 3.60 -0.02 0.00 -1.26 -4.99 105.19 101.91 3fnj n GLY 82 Ca 0.15 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3fnj n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fnj s THR 83 N -2.88 2.05 -0.09 2.61 -4.23 -1.17 -4.99 115.64 106.94 3fnj s THR 83 Ca -0.09 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 3fnj s THR 83 Cb 0.09 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.91 3fnj s THR 83 CO 0.85 -0.02 0.97 0.35 -0.54 0.00 0.00 174.62 176.23 3fnj n THR 84 N -4.52 0.89 0.04 3.99 -2.24 -1.26 -4.67 114.28 106.51 3fnj n THR 84 Ca 0.08 -0.95 -0.06 0.00 -2.27 0.00 0.00 64.05 60.86 3fnj n THR 84 Cb 0.53 0.56 0.12 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.18 0.44 -0.34 3.22 5.85 -1.94 -1.47 115.31 121.24 3fnj h LEU 85 Ca 0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3fnj h LEU 85 Cb 0.47 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3fnj h LEU 85 CO 0.00 0.86 0.21 1.23 -0.34 0.00 0.00 178.44 180.41 3fnj h GLY 86 N 1.21 0.48 1.77 3.75 0.00 -1.86 -1.95 103.07 106.46 3fnj h GLY 86 Ca 0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 3fnj h GLY 86 CO 0.09 0.16 -0.64 0.50 0.00 0.00 0.00 176.54 176.64 3fnj h LYS 87 N 0.44 0.23 -0.49 4.80 1.57 -1.86 -2.18 116.57 119.08 3fnj h LYS 87 Ca 0.13 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3fnj h LYS 87 Cb -0.03 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3fnj h LYS 87 CO -0.04 0.80 0.32 1.15 -0.57 0.00 0.00 179.45 181.10 3fnj h THR 88 N 0.17 1.12 -0.13 -0.16 2.02 -0.91 -2.03 112.91 112.98 3fnj h THR 88 Ca -0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3fnj h THR 88 Cb 1.17 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3fnj h THR 88 CO 0.10 0.12 0.01 0.00 0.37 0.00 0.00 175.52 176.12 3fnj h ALA 89 N 1.18 0.18 -0.98 6.16 0.00 -1.33 -2.92 119.26 121.55 3fnj h ALA 89 Ca 0.18 -0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.17 3fnj h ALA 89 Cb -0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3fnj h ALA 89 CO -0.04 -0.15 0.65 1.25 0.00 0.00 0.00 179.25 180.96 3fnj h LEU 90 N -0.02 0.32 0.19 0.00 5.85 -1.15 0.13 115.31 120.64 3fnj h LEU 90 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3fnj h LEU 90 Cb 0.32 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3fnj h LEU 90 CO 0.00 0.10 -0.09 0.25 -0.34 0.00 0.00 178.44 178.36 3fnj h LEU 91 N 0.30 -0.22 -0.37 2.25 5.85 -1.18 0.67 115.31 122.62 3fnj h LEU 91 Ca 0.52 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3fnj h LEU 91 Cb 1.48 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 3fnj h LEU 91 CO -0.17 0.15 0.23 0.58 -0.34 0.00 0.00 178.44 178.88 3fnj h VAL 92 N -0.61 1.06 0.23 1.05 2.07 -1.12 -1.48 116.25 117.45 3fnj h VAL 92 Ca -0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3fnj h VAL 92 Cb 0.45 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3fnj h VAL 92 CO 0.04 0.08 -0.11 -0.07 0.02 0.00 0.00 177.57 177.54 3fnj h LEU 93 N 0.46 -0.26 -1.03 2.57 3.38 -0.80 -1.89 115.31 117.75 3fnj h LEU 93 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3fnj h LEU 93 Cb -0.02 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3fnj h LEU 93 CO -0.05 -0.16 0.44 -0.07 0.09 0.00 0.00 178.44 178.69 3fnj h LEU 94 N -0.33 1.00 -1.27 1.67 3.38 -0.76 -1.69 115.31 117.31 3fnj h LEU 94 Ca -0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3fnj h LEU 94 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3fnj h LEU 94 CO 0.05 0.81 -0.35 0.28 0.09 0.00 0.00 178.44 179.31 3fnj h SER 95 N 1.13 0.00 -0.20 -0.43 0.02 -1.20 -2.64 113.55 110.23 3fnj h SER 95 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3fnj h SER 95 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3fnj h SER 95 CO -0.05 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 3fnj n ALA 96 N -2.43 2.49 -0.67 3.77 0.00 -0.72 -4.91 120.51 118.05 3fnj n ALA 96 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3fnj n ALA 96 Cb 0.41 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.97 0.77 3.86 0.00 0.00 -0.99 -5.06 105.19 104.73 3fnj n GLY 97 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.82 3.46 -0.33 1.61 0.08 -0.67 -5.02 117.98 114.30 3fnj s PHE 98 Ca 0.00 1.23 -0.15 0.00 0.12 0.00 0.00 56.93 58.12 3fnj s PHE 98 Cb 0.00 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 3fnj s PHE 98 CO 0.00 -0.22 0.37 -2.00 -0.10 0.00 0.00 175.22 173.28 3fnj s GLU 99 N -3.93 3.64 0.08 0.44 2.12 -1.26 -4.19 118.70 115.59 3fnj s GLU 99 Ca 0.55 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.56 3fnj s GLU 99 Cb -0.10 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 3fnj s GLU 99 CO 0.31 -0.50 -0.07 0.00 -0.54 0.00 0.00 175.26 174.47 3fnj s ALA 100 N 2.06 0.81 0.01 6.30 0.00 -1.26 -1.20 121.76 128.47 3fnj s ALA 100 Ca 0.13 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 3fnj s ALA 100 Cb -0.16 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3fnj s ALA 100 CO 0.12 -0.18 0.16 0.71 0.00 0.00 0.00 175.76 176.56 3fnj s TYR 101 N -2.94 0.04 -0.22 0.00 2.02 -0.36 -4.97 117.35 110.92 3fnj s TYR 101 Ca 0.04 -0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.49 3fnj s TYR 101 Cb 0.01 -0.04 -0.05 0.00 -0.40 0.00 0.00 41.96 41.47 3fnj s TYR 101 CO -0.04 -0.32 0.15 -2.00 -1.57 0.00 0.00 175.55 171.77 3fnj s GLU 102 N -1.64 4.13 -0.03 -0.62 2.12 0.95 -0.80 118.70 122.82 3fnj s GLU 102 Ca -0.13 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3fnj s GLU 102 Cb -0.06 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 3fnj s GLU 102 CO 0.01 0.19 2.01 -0.11 -0.54 0.00 0.00 175.26 176.82 3fnj n LEU 103 N 3.88 3.89 -4.69 2.70 7.94 0.11 -1.77 117.00 129.06 3fnj n LEU 103 Ca -0.15 0.78 -0.42 0.00 -1.11 0.00 0.00 56.01 55.10 3fnj n LEU 103 Cb 0.52 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 3fnj n LEU 103 CO 0.36 0.00 1.15 0.00 -1.11 0.00 0.00 177.39 177.79 3fnj s ALA 104 N 5.16 3.60 0.00 1.96 0.00 -0.94 -2.42 121.76 129.13 3fnj s ALA 104 Ca 0.92 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3fnj s ALA 104 Cb -0.46 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3fnj s ALA 104 CO 0.42 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3fnj n GLY 105 N 3.69 2.22 5.48 0.00 0.00 -1.26 -4.59 105.19 110.73 3fnj n GLY 105 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.73 -0.87 -0.25 4.61 0.00 -1.02 -1.12 120.51 120.13 3fnj n ALA 106 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 3fnj n ALA 106 Cb 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 19.45 19.24 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 0.69 -0.52 0.00 5.85 -1.14 -1.79 115.31 118.40 3fnj h LEU 107 Ca 0.01 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3fnj h LEU 107 Cb 0.27 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 3fnj h LEU 107 CO 0.00 0.47 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.41 3fnj h GLU 108 N 0.82 0.04 0.00 1.25 4.81 -1.03 0.31 114.58 120.79 3fnj h GLU 108 Ca 0.29 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3fnj h GLU 108 Cb 0.06 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3fnj h GLU 108 CO -0.13 0.03 -0.08 0.78 -0.73 0.00 0.00 179.01 178.88 3fnj h GLY 109 N 0.04 0.00 1.99 1.92 0.00 -0.81 -1.67 103.07 104.54 3fnj h GLY 109 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.38 3fnj h GLY 109 CO -0.50 0.00 -0.97 -0.25 0.00 0.00 0.00 176.54 174.82 3fnj h TRP 110 N 0.00 0.02 0.09 5.60 2.91 -0.07 -3.28 115.95 121.22 3fnj h TRP 110 Ca -0.00 -0.01 -0.30 0.00 1.13 0.00 0.00 58.89 59.71 3fnj h TRP 110 Cb 0.83 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 3fnj h TRP 110 CO 0.00 0.97 -1.52 0.87 -1.03 0.00 0.00 178.44 177.74 3fnj h LYS 111 N 0.00 0.19 -2.30 2.65 1.57 -0.39 -3.00 116.57 115.30 3fnj h LYS 111 Ca -0.01 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 3fnj h LYS 111 Cb 1.71 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.13 3fnj h LYS 111 CO 0.13 1.03 0.07 0.41 -0.57 0.00 0.00 179.45 180.52 3fnj n GLY 112 N 1.63 1.56 0.57 3.86 0.00 -0.64 -4.44 105.19 107.74 3fnj n GLY 112 Ca -0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 2.31 0.00 -1.53 1.61 1.13 -1.26 -5.07 117.38 114.57 3fnj n GLN 114 Ca 0.09 -0.61 -0.31 0.00 -1.94 0.00 0.00 57.00 54.22 3fnj n GLN 114 Cb 0.29 -0.21 0.06 0.00 0.11 0.00 0.00 30.24 30.48 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 3.16 -0.12 1.08 1.02 -1.13 -4.94 118.68 117.75 3fnj s LEU 115 Ca 0.02 1.74 -0.31 0.00 0.02 0.00 0.00 54.13 55.59 3fnj s LEU 115 Cb 0.02 -4.51 -0.09 0.00 0.02 0.00 0.00 46.19 41.63 3fnj s LEU 115 CO -0.01 -1.63 2.04 -0.81 0.02 0.00 0.00 176.35 175.97 3fnj n PRO 116 N -3.09 2.18 -3.42 1.29 -0.04 -1.26 -4.82 135.00 125.83 3fnj n PRO 116 Ca 0.08 0.73 -0.21 0.00 -0.04 0.00 0.00 63.50 64.07 3fnj n PRO 116 Cb 0.53 -2.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.00 3fnj n PRO 116 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fnj s VAL 117 N 5.78 -0.24 0.97 0.52 0.11 -1.26 -1.90 120.40 124.39 3fnj s VAL 117 Ca 0.96 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 3fnj s VAL 117 Cb -0.54 -0.91 0.17 0.00 -1.53 0.00 0.00 36.38 33.57 3fnj s VAL 117 CO 0.44 -0.63 1.11 -1.83 -3.33 0.00 0.00 175.10 170.86 3fnj s GLU 118 N 1.82 0.66 -0.11 1.54 -1.05 -0.73 -4.71 118.70 116.13 3fnj s GLU 118 Ca 0.13 0.41 0.03 0.00 -0.15 0.00 0.00 54.97 55.39 3fnj s GLU 118 Cb -0.16 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 3fnj s GLU 118 CO -0.19 -2.55 -0.22 0.95 0.95 0.00 0.00 175.26 174.20 3fnj s THR 119 N -3.09 1.98 0.44 1.83 -4.23 -1.26 -1.60 115.64 109.70 3fnj s THR 119 Ca 0.65 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3fnj s THR 119 Cb -0.17 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 3fnj s THR 119 CO 0.56 0.54 0.70 -1.48 -0.54 0.00 0.00 174.62 174.40 3fnj s LEU 120 N 0.50 3.72 0.00 4.79 -0.00 -1.26 -4.98 118.68 121.46 3fnj s LEU 120 Ca -0.15 0.66 0.00 0.00 -0.00 0.00 0.00 54.13 54.64 3fnj s LEU 120 Cb -0.17 -3.56 0.00 0.00 -0.00 0.00 0.00 46.19 42.45 3fnj s LEU 120 CO 0.06 -0.54 0.00 0.00 -0.00 0.00 0.00 176.35 175.86