#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 0.00 0.82 1.20 5.19 -2.05 -3.12 116.42 118.47 3fnj h ASP 3 Ca 0.00 -0.04 -0.23 0.00 -0.62 0.00 0.00 57.03 56.13 3fnj h ASP 3 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 3fnj h ASP 3 CO 0.00 0.02 -1.25 0.11 -3.12 0.00 0.00 179.24 175.00 3fnj h LYS 4 N 0.00 0.00 -0.10 3.56 1.57 -2.05 -2.88 116.57 116.67 3fnj h LYS 4 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 3fnj h LYS 4 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3fnj h LYS 4 CO 0.00 0.78 -0.66 0.87 -0.57 0.00 0.00 179.45 179.87 3fnj h LYS 5 N 0.00 0.40 -0.16 3.15 1.57 -1.99 -2.10 116.57 117.44 3fnj h LYS 5 Ca -0.11 -0.30 -0.18 0.00 -1.87 0.00 0.00 60.65 58.19 3fnj h LYS 5 Cb 1.84 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.20 3fnj h LYS 5 CO 0.11 0.92 -0.65 0.82 -0.57 0.00 0.00 179.45 180.08 3fnj h ILE 6 N 0.28 1.32 -0.45 1.86 2.04 -1.63 -1.65 117.51 119.29 3fnj h ILE 6 Ca -0.02 -1.93 -0.08 0.00 1.00 0.00 0.00 64.86 63.84 3fnj h ILE 6 Cb 1.22 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 3fnj h ILE 6 CO 0.11 0.60 -0.01 -0.08 0.00 0.00 0.00 178.15 178.77 3fnj h GLU 7 N 0.43 0.80 0.39 2.37 4.57 -1.44 -1.42 114.58 120.28 3fnj h GLU 7 Ca -0.02 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3fnj h GLU 7 Cb 1.23 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3fnj h GLU 7 CO 0.12 0.87 -0.19 1.25 -1.18 0.00 0.00 179.01 179.89 3fnj h LEU 8 N 0.65 -0.44 -0.85 1.64 5.85 -1.34 -2.43 115.31 118.39 3fnj h LEU 8 Ca 0.13 -0.12 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3fnj h LEU 8 Cb 0.52 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 3fnj h LEU 8 CO 0.03 -0.10 0.42 -0.07 -0.34 0.00 0.00 178.44 178.37 3fnj h LEU 9 N -0.80 0.48 -0.28 2.25 3.38 -1.31 0.86 115.31 119.89 3fnj h LEU 9 Ca -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fnj h LEU 9 Cb 0.53 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3fnj h LEU 9 CO 0.09 0.18 0.12 0.74 0.09 0.00 0.00 178.44 179.66 3fnj h THR 10 N 0.58 1.16 0.01 0.22 2.02 -1.23 -1.04 112.91 114.63 3fnj h THR 10 Ca 0.47 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3fnj h THR 10 Cb 0.70 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3fnj h THR 10 CO -0.39 0.17 -0.00 0.74 0.37 0.00 0.00 175.52 176.41 3fnj h THR 11 N 0.31 1.47 -0.45 3.16 2.02 -0.72 -2.81 112.91 115.88 3fnj h THR 11 Ca 0.09 -1.44 0.09 0.00 0.77 0.00 0.00 66.41 65.93 3fnj h THR 11 Cb 0.15 2.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.92 3fnj h THR 11 CO -0.01 0.37 -0.20 0.22 0.37 0.00 0.00 175.52 176.28 3fnj h TYR 12 N -0.62 -0.48 0.00 3.16 3.20 0.69 -0.30 116.97 122.62 3fnj h TYR 12 Ca -0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3fnj h TYR 12 Cb 0.61 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 3fnj h TYR 12 CO 0.14 -0.28 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.19 3fnj h LEU 13 N -0.10 0.00 0.00 2.82 3.38 -1.25 -1.65 115.31 118.51 3fnj h LEU 13 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3fnj h LEU 13 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3fnj h LEU 13 CO -0.52 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 176.59 3fnj n SER 14 N -4.04 0.00 0.15 -0.43 3.41 -0.13 -1.54 113.62 111.04 3fnj n SER 14 Ca -0.02 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 3fnj n SER 14 Cb 0.20 -0.39 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 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 0.00-10.29 1.04 3.38 -1.29 -3.48 115.31 104.68 3fnj h LEU 15 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 3fnj h LEU 15 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fnj h LEU 15 CO 0.00 0.08 -0.34 -0.31 0.09 0.00 0.00 178.44 177.96 3fnj s TYR 16 N -3.24 2.90 -0.03 1.13 1.51 -0.59 -1.34 117.35 117.70 3fnj s TYR 16 Ca 0.02 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3fnj s TYR 16 Cb 0.08 -2.12 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3fnj s TYR 16 CO 0.74 -0.13 0.08 -1.50 -1.11 0.00 0.00 175.55 173.63 3fnj s ILE 17 N -2.31 0.01 0.41 2.71 2.07 -0.68 -4.75 121.20 118.65 3fnj s ILE 17 Ca 0.48 -0.04 -0.25 0.00 -1.41 0.00 0.00 60.65 59.43 3fnj s ILE 17 Cb -0.08 -0.14 -0.08 0.00 0.13 0.00 0.00 42.46 42.29 3fnj s ILE 17 CO 0.30 -0.02 1.18 -0.62 -1.91 0.00 0.00 174.94 173.87 3fnj s ASP 18 N -0.03 6.44 0.51 4.50 3.68 -1.26 -1.47 116.67 129.03 3fnj s ASP 18 Ca -0.01 2.38 0.26 0.00 2.13 0.00 0.00 52.55 57.31 3fnj s ASP 18 Cb -0.01 -2.62 1.36 0.00 -1.45 0.00 0.00 42.92 40.20 3fnj s ASP 18 CO 0.00 -0.74 2.03 1.12 0.13 0.00 0.00 175.17 177.72 3fnj h HIS 19 N 2.55 0.00 -0.74 -5.34 2.07 -1.97 -2.50 115.15 109.23 3fnj h HIS 19 Ca -0.49 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.00 3fnj h HIS 19 Cb 1.24 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.18 3fnj h HIS 19 CO 0.55 0.14 0.33 1.25 -3.07 0.00 0.00 177.93 177.12 3fnj h HIS 20 N 0.00 1.09 -0.15 6.12 6.17 -1.97 0.01 115.15 126.42 3fnj h HIS 20 Ca -0.00 -0.07 -0.13 0.00 0.71 0.00 0.00 60.37 60.88 3fnj h HIS 20 Cb 0.40 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 3fnj h HIS 20 CO 0.00 0.82 -0.48 1.15 0.71 0.00 0.00 177.93 180.13 3fnj h THR 21 N 1.05 1.33 -0.01 6.26 2.02 -1.84 -1.50 112.91 120.22 3fnj h THR 21 Ca 0.25 -1.70 -0.19 0.00 0.77 0.00 0.00 66.41 65.54 3fnj h THR 21 Cb 0.16 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3fnj h THR 21 CO -0.03 0.52 -0.73 0.58 0.37 0.00 0.00 175.52 176.23 3fnj h VAL 22 N 0.31 1.37 0.21 3.16 2.07 -1.41 -2.89 116.25 119.08 3fnj h VAL 22 Ca 0.02 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 3fnj h VAL 22 Cb 0.96 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3fnj h VAL 22 CO 0.08 0.63 -0.10 0.25 0.02 0.00 0.00 177.57 178.45 3fnj h LEU 23 N 0.08 -0.24 -0.28 2.57 6.46 -1.00 -3.13 115.31 119.77 3fnj h LEU 23 Ca -0.09 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 3fnj h LEU 23 Cb 1.42 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 41.36 3fnj h LEU 23 CO 0.14 -0.08 -0.36 0.00 -0.62 0.00 0.00 178.44 177.52 3fnj h ALA 24 N 0.38 -0.60 0.00 1.25 0.00 -1.35 0.16 119.26 119.11 3fnj h ALA 24 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fnj h ALA 24 Cb 0.30 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3fnj h ALA 24 CO 0.05 -0.77 0.00 -3.47 0.00 0.00 0.00 179.25 175.05 3fnj n ASP 25 N -4.42 0.00 0.00 0.00 2.03 -1.09 -1.06 116.55 112.01 3fnj n ASP 25 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3fnj n ASP 25 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.70 0.00 0.00 -0.67 10.64 0.56 -2.24 117.38 126.38 3fnj n GLN 27 Ca 0.00 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.22 3fnj n GLN 27 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 3fnj n GLN 27 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fnj n ASN 28 N 0.00 1.33 -2.08 2.61 4.13 -0.22 -4.98 115.26 116.05 3fnj n ASN 28 Ca 0.00 -1.17 -0.08 0.00 1.68 0.00 0.00 54.58 55.01 3fnj n ASN 28 Cb 0.00 0.40 -0.01 0.00 -1.54 0.00 0.00 39.78 38.63 3fnj n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fnj n ALA 29 N -0.12 -0.63 0.30 5.41 0.00 -0.95 -4.76 120.51 119.76 3fnj n ALA 29 Ca 0.05 0.09 0.17 0.00 0.00 0.00 0.00 53.44 53.75 3fnj n ALA 29 Cb 0.23 -1.11 0.75 0.00 0.00 0.00 0.00 19.45 19.31 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 0.00 -6.36 0.00 2.02 -1.80 -3.47 112.91 103.31 3fnj h THR 30 Ca -0.19 -0.38 -0.48 0.00 0.77 0.00 0.00 66.41 66.13 3fnj h THR 30 Cb 0.96 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 3fnj h THR 30 CO 0.24 0.00 -0.77 0.61 0.37 0.00 0.00 175.52 175.97 3fnj n GLY 31 N -0.18 -0.48 0.25 2.16 0.00 -1.25 -4.89 105.19 100.79 3fnj n GLY 31 Ca 0.00 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.64 0.78 -4.39 1.61 2.85 -1.26 -4.92 118.16 108.19 3fnj n LYS 32 Ca 0.03 -0.49 -0.19 0.00 -1.05 0.00 0.00 58.31 56.61 3fnj n LYS 32 Cb 0.53 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 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 -2.56 1.78 -0.30 5.58 2.02 -1.26 -3.03 117.35 119.59 3fnj s TYR 33 Ca 0.22 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 3fnj s TYR 33 Cb 0.19 -1.05 0.12 0.00 -0.40 0.00 0.00 41.96 40.82 3fnj s TYR 33 CO 0.55 0.09 0.20 0.08 -1.57 0.00 0.00 175.55 174.91 3fnj s VAL 34 N -3.24 -0.17 0.04 0.71 1.01 -0.77 -4.91 120.40 113.07 3fnj s VAL 34 Ca 0.30 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3fnj s VAL 34 Cb 0.05 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 3fnj s VAL 34 CO 0.11 -0.67 1.57 -0.69 0.00 0.00 0.00 175.10 175.43 3fnj s VAL 35 N 2.05 3.27 -0.22 2.92 1.01 -1.26 -2.82 120.40 125.35 3fnj s VAL 35 Ca 0.10 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3fnj s VAL 35 Cb -0.16 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3fnj s VAL 35 CO -0.30 -0.00 -0.07 -0.76 0.00 0.00 0.00 175.10 173.96 3fnj s LEU 36 N 2.62 2.82 -0.57 3.92 1.43 0.19 -1.38 118.68 127.71 3fnj s LEU 36 Ca 0.71 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 3fnj s LEU 36 Cb -0.37 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.21 3fnj s LEU 36 CO 0.30 -0.04 1.08 -0.62 0.23 0.00 0.00 176.35 177.30 3fnj s ASP 37 N 1.42 6.39 0.00 2.29 3.68 -0.64 -1.52 116.67 128.29 3fnj s ASP 37 Ca 0.05 -0.12 0.20 0.00 2.13 0.00 0.00 52.55 54.81 3fnj s ASP 37 Cb -0.14 -2.50 0.56 0.00 -1.45 0.00 0.00 42.92 39.38 3fnj s ASP 37 CO -0.05 -1.37 1.45 1.33 0.13 0.00 0.00 175.17 176.66 3fnj n VAL 38 N 6.44 0.43 -1.63 1.11 0.24 -0.62 -3.84 118.33 120.46 3fnj n VAL 38 Ca 0.05 -0.56 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 3fnj n VAL 38 Cb 0.48 0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 33.41 3fnj n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3fnj n ARG 39 N 0.88 1.55 0.00 7.34 1.74 -1.25 -1.55 116.66 125.37 3fnj n ARG 39 Ca 0.17 0.55 0.12 0.00 -0.77 0.00 0.00 57.85 57.93 3fnj n ARG 39 Cb 0.44 -2.05 0.27 0.00 -1.02 0.00 0.00 32.46 30.10 3fnj n ARG 39 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fnj n ASN 40 N 0.80 1.34 -4.49 0.55 3.02 -1.26 -4.18 115.26 111.05 3fnj n ASN 40 Ca 0.08 -1.10 -0.35 0.00 -0.03 0.00 0.00 54.58 53.18 3fnj n ASN 40 Cb 0.36 0.23 0.09 0.00 -0.61 0.00 0.00 39.78 39.85 3fnj n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fnj n ALA 41 N -0.44 -1.44 0.29 5.41 0.00 -1.26 -4.93 120.51 118.14 3fnj n ALA 41 Ca 0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 3fnj n ALA 41 Cb 0.39 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 3fnj n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fnj h PRO 42 N -0.64 -0.86 0.00 0.00 0.13 -1.98 -3.47 132.00 125.18 3fnj h PRO 42 Ca -0.45 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3fnj h PRO 42 Cb 1.33 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.66 3fnj h PRO 42 CO 0.42 -0.58 0.00 0.00 -0.23 0.00 0.00 178.00 177.61 3fnj n ALA 43 N -2.68 0.00 0.54 -0.56 0.00 -1.26 -4.92 120.51 111.63 3fnj n ALA 43 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3fnj n ALA 43 Cb 0.39 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.30 3fnj n ALA 43 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3fnj n GLN 44 N 0.00 0.20 0.07 0.00 -0.06 -1.26 -2.47 117.38 113.86 3fnj n GLN 44 Ca 0.00 0.30 -0.23 0.00 -2.00 0.00 0.00 57.00 55.07 3fnj n GLN 44 Cb 0.00 -1.80 -0.15 0.00 -4.06 0.00 0.00 30.24 24.23 3fnj n GLN 44 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3fnj h VAL 45 N 0.00 0.93 0.49 1.69 2.07 -1.93 -3.39 116.25 116.12 3fnj h VAL 45 Ca 0.00 -2.50 -0.02 0.00 0.82 0.00 0.00 66.70 64.99 3fnj h VAL 45 Cb 0.53 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3fnj h VAL 45 CO 0.00 0.85 -0.24 0.11 0.02 0.00 0.00 177.57 178.32 3fnj h LYS 46 N 0.09 -0.64 0.00 1.57 1.57 -1.88 -3.46 116.57 113.82 3fnj h LYS 46 Ca -0.35 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3fnj h LYS 46 Cb 2.08 0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.54 3fnj h LYS 46 CO 0.17 -0.34 0.00 1.63 -0.57 0.00 0.00 179.45 180.34 3fnj n LYS 47 N -5.24 0.00 -1.98 3.15 5.02 -1.03 -4.77 118.16 113.30 3fnj n LYS 47 Ca -0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 3fnj n LYS 47 Cb 0.31 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.51 3fnj n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fnj s ASP 48 N 0.00 3.00 0.00 4.39 -0.00 -1.26 0.90 116.67 123.69 3fnj s ASP 48 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 52.55 52.70 3fnj s ASP 48 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 42.92 42.77 3fnj s ASP 48 CO 0.00 -2.80 0.00 1.67 -0.00 0.00 0.00 175.17 174.04 3fnj n GLN 49 N -3.77 0.00 -1.64 8.23 7.27 -0.09 -4.38 117.38 122.99 3fnj n GLN 49 Ca 0.16 0.00 -0.47 0.00 0.07 0.00 0.00 57.00 56.76 3fnj n GLN 49 Cb 0.59 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.20 3fnj n GLN 49 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3fnj n ILE 50 N -0.13 0.44 -1.63 1.69 5.41 -1.26 0.84 119.36 124.71 3fnj n ILE 50 Ca 0.00 -0.11 -0.50 0.00 1.00 0.00 0.00 62.75 63.14 3fnj n ILE 50 Cb 0.00 -1.26 -0.05 0.00 -0.71 0.00 0.00 39.64 37.61 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 2.53 1.59 -0.54 0.38 4.81 -0.19 -1.15 118.16 125.60 3fnj n LYS 51 Ca 0.15 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3fnj n LYS 51 Cb 0.27 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.04 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 3.11 1.44 3.71 3.14 0.00 -1.26 -4.99 105.19 110.34 3fnj n GLY 52 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.36 1.79 -0.25 4.61 0.00 -0.30 -4.75 121.76 119.50 3fnj s ALA 53 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.50 3fnj s ALA 53 Cb 0.00 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.79 3fnj s ALA 53 CO 0.00 -2.35 -0.09 0.42 0.00 0.00 0.00 175.76 173.74 3fnj s ILE 54 N -2.67 1.98 0.78 0.00 1.01 -0.48 -4.94 121.20 116.87 3fnj s ILE 54 Ca 0.66 -1.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 3fnj s ILE 54 Cb -0.21 -2.14 0.07 0.00 0.01 0.00 0.00 42.46 40.18 3fnj s ILE 54 CO 0.56 -0.06 1.16 0.00 0.00 0.00 0.00 174.94 176.61 3fnj s ALA 55 N 1.18 2.00 -0.01 9.38 0.00 -1.26 -1.62 121.76 131.43 3fnj s ALA 55 Ca -0.08 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 3fnj s ALA 55 Cb -0.20 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.52 3fnj s ALA 55 CO -0.05 -2.03 0.02 -2.14 0.00 0.00 0.00 175.76 171.56 3fnj s PRO 57 N -4.26 -0.01 0.59 0.00 0.02 -1.25 -4.91 135.00 125.18 3fnj s PRO 57 Ca 0.70 0.10 0.28 0.00 0.02 0.00 0.00 61.00 62.10 3fnj s PRO 57 Cb -0.25 -0.11 1.59 0.00 0.02 0.00 0.00 34.50 35.75 3fnj s PRO 57 CO 0.50 -0.08 2.04 0.00 -0.33 0.00 0.00 177.00 179.13 3fnj h ALA 58 N 6.65 1.94 -0.18 -1.55 0.00 -1.52 0.87 119.26 125.48 3fnj h ALA 58 Ca -0.34 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 3fnj h ALA 58 Cb 1.17 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fnj h ALA 58 CO 0.49 -0.43 -0.72 1.57 0.00 0.00 0.00 179.25 180.17 3fnj h LYS 59 N 0.00 0.76 -0.02 0.00 2.10 -1.94 -3.25 116.57 114.21 3fnj h LYS 59 Ca 0.13 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3fnj h LYS 59 Cb 0.70 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 3fnj h LYS 59 CO -0.00 1.20 -0.08 -0.25 -2.00 0.00 0.00 179.45 178.32 3fnj n ASP 60 N -3.94 2.56 -0.16 7.07 8.00 -0.50 -4.40 116.55 125.18 3fnj n ASP 60 Ca -0.06 -1.81 -0.11 0.00 0.71 0.00 0.00 54.79 53.51 3fnj n ASP 60 Cb 0.71 0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.88 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 3.90 0.99 -1.80 0.64 6.46 -0.91 -0.60 115.31 123.98 3fnj h LEU 61 Ca 0.00 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 3fnj h LEU 61 Cb 0.87 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3fnj h LEU 61 CO 0.00 1.14 0.01 0.00 -0.62 0.00 0.00 178.44 178.96 3fnj h ALA 62 N 0.88 1.84 0.05 1.25 0.00 -1.77 -1.87 119.26 119.65 3fnj h ALA 62 Ca 0.12 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 3fnj h ALA 62 Cb 0.73 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3fnj h ALA 62 CO 0.06 0.13 -1.83 -2.37 0.00 0.00 0.00 179.25 175.24 3fnj n THR 63 N -4.46 1.69 -0.23 0.00 5.66 -1.11 -4.13 114.28 111.69 3fnj n THR 63 Ca -0.02 -0.74 0.07 0.00 -3.05 0.00 0.00 64.05 60.32 3fnj n THR 63 Cb 0.13 -1.34 0.29 0.00 -1.55 0.00 0.00 70.33 67.87 3fnj n THR 63 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3fnj n ARG 64 N -3.23 3.40 0.00 1.09 1.74 -0.25 -4.36 116.66 115.05 3fnj n ARG 64 Ca -0.23 -2.31 0.06 0.00 -0.77 0.00 0.00 57.85 54.60 3fnj n ARG 64 Cb 1.05 -1.85 0.34 0.00 -1.02 0.00 0.00 32.46 30.98 3fnj n ARG 64 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3fnj n ILE 65 N 0.76 0.15 1.72 0.55 3.06 -0.71 -1.65 119.36 123.23 3fnj n ILE 65 Ca 0.21 0.04 0.14 0.00 -2.50 0.00 0.00 62.75 60.64 3fnj n ILE 65 Cb 0.80 -0.85 0.69 0.00 0.54 0.00 0.00 39.64 40.82 3fnj n ILE 65 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3fnj n GLY 66 N -0.27 -0.46 0.26 4.50 0.00 -1.26 -3.27 105.19 104.69 3fnj n GLY 66 Ca 0.08 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.36 0.74 -3.97 1.61 1.02 -0.66 -4.95 120.64 114.07 3fnj n GLU 67 Ca 0.21 -0.53 -0.27 0.00 -0.02 0.00 0.00 57.16 56.54 3fnj n GLU 67 Cb 0.23 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.62 4.23 -0.24 -4.62 1.43 -1.20 -5.09 118.68 110.56 3fnj s LEU 68 Ca 0.19 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 3fnj s LEU 68 Cb 0.18 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3fnj s LEU 68 CO 0.61 0.07 0.36 -0.62 0.23 0.00 0.00 176.35 177.00 3fnj s ASP 69 N -3.09 6.32 0.00 2.29 3.68 -1.26 -4.95 116.67 119.65 3fnj s ASP 69 Ca 0.34 0.37 0.03 0.00 2.13 0.00 0.00 52.55 55.42 3fnj s ASP 69 Cb -0.11 -2.21 0.20 0.00 -1.45 0.00 0.00 42.92 39.35 3fnj s ASP 69 CO 0.27 -0.11 0.54 -2.65 0.13 0.00 0.00 175.17 173.35 3fnj n PRO 70 N 4.87 0.24 -0.12 4.34 -0.02 -1.26 -2.98 135.00 140.07 3fnj n PRO 70 Ca -0.09 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.20 3fnj n PRO 70 Cb 0.51 -1.22 -0.10 0.00 -0.02 0.00 0.00 33.50 32.67 3fnj n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fnj n ALA 71 N -0.72 1.49 -1.63 3.55 0.00 -1.26 -4.79 120.51 117.15 3fnj n ALA 71 Ca 0.03 -0.97 -0.31 0.00 0.00 0.00 0.00 53.44 52.19 3fnj n ALA 71 Cb 0.01 0.04 0.04 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 -2.45 3.10 -0.14 0.00 1.02 -1.16 -4.97 119.74 115.15 3fnj s LYS 72 Ca -0.31 0.97 -0.16 0.00 0.02 0.00 0.00 55.97 56.48 3fnj s LYS 72 Cb 0.09 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 3fnj s LYS 72 CO 0.50 -0.97 0.39 0.99 -0.92 0.00 0.00 175.35 175.33 3fnj s THR 73 N -2.96 5.24 0.02 2.17 2.01 -1.17 -4.46 115.64 116.49 3fnj s THR 73 Ca 0.58 0.76 -0.00 0.00 0.31 0.00 0.00 61.69 63.34 3fnj s THR 73 Cb -0.14 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3fnj s THR 73 CO 0.51 0.36 0.14 -0.31 -0.69 0.00 0.00 174.62 174.63 3fnj s TYR 74 N 0.54 3.40 -0.22 4.92 2.02 -0.23 -1.85 117.35 125.92 3fnj s TYR 74 Ca 0.21 0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 3fnj s TYR 74 Cb -0.14 -1.75 0.07 0.00 -0.40 0.00 0.00 41.96 39.73 3fnj s TYR 74 CO 0.07 0.58 0.02 0.08 -1.57 0.00 0.00 175.55 174.74 3fnj s VAL 75 N -1.33 0.87 0.28 0.71 1.01 -1.13 -1.21 120.40 119.61 3fnj s VAL 75 Ca 0.28 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3fnj s VAL 75 Cb -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3fnj s VAL 75 CO 0.19 -0.25 0.52 0.68 0.00 0.00 0.00 175.10 176.24 3fnj s VAL 76 N 1.68 5.08 0.03 2.92 -7.23 -0.73 -0.63 120.40 121.51 3fnj s VAL 76 Ca -0.01 -0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.87 3fnj s VAL 76 Cb -0.18 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 33.04 3fnj s VAL 76 CO -0.10 -0.34 0.37 -0.72 -0.31 0.00 0.00 175.10 174.00 3fnj s TYR 77 N -2.08 -0.21 0.00 2.82 1.13 -0.57 -0.48 117.35 117.95 3fnj s TYR 77 Ca 0.42 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 3fnj s TYR 77 Cb -0.11 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 3fnj s TYR 77 CO 0.31 -0.51 0.00 -3.47 -2.51 0.00 0.00 175.55 169.37 3fnj n ASP 78 N 0.71 1.92 0.19 -0.18 2.03 -1.26 -1.59 116.55 118.37 3fnj n ASP 78 Ca -0.19 -0.03 -0.12 0.00 0.52 0.00 0.00 54.79 54.97 3fnj n ASP 78 Cb 0.59 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 3fnj n ASP 78 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3fnj h TRP 79 N 0.03 -0.50 0.00 -0.67 4.06 -1.97 -2.70 115.95 114.20 3fnj h TRP 79 Ca 0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3fnj h TRP 79 Cb 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3fnj h TRP 79 CO 0.00 -0.18 -0.48 0.25 -3.56 0.00 0.00 178.44 174.47 3fnj n THR 80 N -5.16 0.00 -0.37 1.49 -2.24 -1.26 -1.88 114.28 104.86 3fnj n THR 80 Ca -0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3fnj n THR 80 Cb 0.28 0.47 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 1.35 0.77 0.39 3.38 0.00 -1.26 -4.51 105.19 105.31 3fnj n GLY 81 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.24 -0.22 3.94 -0.02 0.00 -1.26 -4.90 105.19 100.48 3fnj n GLY 82 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3fnj n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fnj s THR 83 N -2.16 2.42 -1.84 2.61 2.01 -1.26 -5.02 115.64 112.39 3fnj s THR 83 Ca 0.34 -1.25 0.16 0.00 0.31 0.00 0.00 61.69 61.25 3fnj s THR 83 Cb 0.20 -2.66 0.49 0.00 0.01 0.00 0.00 72.50 70.54 3fnj s THR 83 CO 0.39 0.00 1.40 0.35 -0.69 0.00 0.00 174.62 176.07 3fnj n THR 84 N -1.78 0.85 0.09 -0.82 -2.24 -1.26 -4.43 114.28 104.70 3fnj n THR 84 Ca 0.06 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.96 3fnj n THR 84 Cb 0.62 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 3fnj n THR 84 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fnj h LEU 85 N 3.12 -0.32 -0.12 3.22 4.07 -1.96 0.10 115.31 123.43 3fnj h LEU 85 Ca 0.00 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.01 3fnj h LEU 85 Cb 0.81 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 3fnj h LEU 85 CO 0.04 -0.18 0.02 1.23 -1.08 0.00 0.00 178.44 178.47 3fnj h GLY 86 N -0.25 0.12 1.63 0.83 0.00 -1.92 -0.94 103.07 102.55 3fnj h GLY 86 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3fnj h GLY 86 CO -0.06 -0.00 -0.16 0.50 0.00 0.00 0.00 176.54 176.82 3fnj h LYS 87 N 0.07 0.44 -0.27 4.80 1.57 -1.82 -1.27 116.57 120.09 3fnj h LYS 87 Ca 0.05 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3fnj h LYS 87 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3fnj h LYS 87 CO -0.07 0.60 -0.10 1.15 -0.57 0.00 0.00 179.45 180.46 3fnj h THR 88 N 0.41 1.29 0.00 -0.16 2.02 -0.50 -1.16 112.91 114.80 3fnj h THR 88 Ca 0.07 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.05 3fnj h THR 88 Cb 0.53 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3fnj h THR 88 CO 0.03 0.36 -0.24 0.00 0.37 0.00 0.00 175.52 176.04 3fnj h ALA 89 N 0.75 1.58 -0.06 6.16 0.00 -1.02 -2.14 119.26 124.54 3fnj h ALA 89 Ca 0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3fnj h ALA 89 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fnj h ALA 89 CO 0.03 0.30 -0.70 1.25 0.00 0.00 0.00 179.25 180.14 3fnj h LEU 90 N 0.00 0.32 -0.33 0.00 5.85 -0.91 -1.26 115.31 118.98 3fnj h LEU 90 Ca -0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3fnj h LEU 90 Cb 0.43 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3fnj h LEU 90 CO 0.03 0.92 0.00 0.25 -0.34 0.00 0.00 178.44 179.30 3fnj h LEU 91 N 0.19 0.58 -0.26 2.25 5.85 -0.59 0.31 115.31 123.62 3fnj h LEU 91 Ca -0.02 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3fnj h LEU 91 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3fnj h LEU 91 CO 0.11 0.74 0.11 0.58 -0.34 0.00 0.00 178.44 179.65 3fnj h VAL 92 N 0.39 0.96 0.05 1.05 2.07 -1.28 -2.40 116.25 117.09 3fnj h VAL 92 Ca 0.09 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3fnj h VAL 92 Cb 0.45 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3fnj h VAL 92 CO 0.02 0.04 -0.02 -0.07 0.02 0.00 0.00 177.57 177.56 3fnj h LEU 93 N 0.24 -0.06 -2.68 2.57 3.38 -1.17 -2.90 115.31 114.71 3fnj h LEU 93 Ca 0.11 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3fnj h LEU 93 Cb 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fnj h LEU 93 CO -0.10 0.57 -0.01 -0.07 0.09 0.00 0.00 178.44 178.92 3fnj h LEU 94 N -0.72 0.00 0.07 1.67 3.38 -1.00 -2.24 115.31 116.47 3fnj h LEU 94 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3fnj h LEU 94 Cb 0.61 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.38 3fnj h LEU 94 CO 0.01 0.01 -0.71 0.28 0.09 0.00 0.00 178.44 178.12 3fnj h SER 95 N 0.00 0.50 0.39 -0.43 0.02 -1.45 -3.25 113.55 109.33 3fnj h SER 95 Ca -0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 3fnj h SER 95 Cb 0.03 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3fnj h SER 95 CO 0.00 1.31 0.00 0.00 -1.14 0.00 0.00 176.83 177.00 3fnj n ALA 96 N -2.63 1.92 0.00 3.77 0.00 -0.88 -4.89 120.51 117.80 3fnj n ALA 96 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3fnj n ALA 96 Cb 0.75 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.23 3.10 3.43 0.00 0.00 -0.98 -5.07 105.19 105.90 3fnj n GLY 97 Ca 0.07 -1.01 -0.51 0.00 0.00 0.00 0.00 46.02 44.57 3fnj n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fnj n PHE 98 N 0.00 -0.15 -3.27 1.61 3.72 -1.06 -4.86 117.46 113.45 3fnj n PHE 98 Ca 0.00 0.99 -0.38 0.00 -0.05 0.00 0.00 57.45 58.00 3fnj n PHE 98 Cb 0.00 -2.00 -0.06 0.00 -0.94 0.00 0.00 39.48 36.48 3fnj n PHE 98 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3fnj s GLU 99 N -0.74 4.29 0.20 -1.08 2.12 -1.26 -3.82 118.70 118.41 3fnj s GLU 99 Ca 0.71 0.60 -0.13 0.00 0.36 0.00 0.00 54.97 56.50 3fnj s GLU 99 Cb -1.01 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.01 3fnj s GLU 99 CO 0.56 0.29 0.43 0.00 -0.54 0.00 0.00 175.26 176.01 3fnj s ALA 100 N 0.12 -0.39 0.19 6.30 0.00 -1.26 -1.07 121.76 125.65 3fnj s ALA 100 Ca 0.29 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 3fnj s ALA 100 Cb -0.17 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3fnj s ALA 100 CO 0.14 -0.77 0.39 0.71 0.00 0.00 0.00 175.76 176.23 3fnj s TYR 101 N -3.96 0.24 -0.10 0.00 2.02 -0.35 -4.95 117.35 110.25 3fnj s TYR 101 Ca 0.16 -0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 3fnj s TYR 101 Cb 0.00 0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.66 3fnj s TYR 101 CO 0.02 -0.83 0.01 -2.00 -1.57 0.00 0.00 175.55 171.18 3fnj s GLU 102 N -3.95 3.12 -0.06 -0.62 2.12 -0.45 -1.77 118.70 117.08 3fnj s GLU 102 Ca 0.16 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 3fnj s GLU 102 Cb 0.01 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 3fnj s GLU 102 CO 0.01 0.65 1.61 -1.17 -0.54 0.00 0.00 175.26 175.82 3fnj s LEU 103 N -0.72 4.31 0.27 2.70 2.96 0.37 -1.69 118.68 126.88 3fnj s LEU 103 Ca 0.11 2.19 -0.30 0.00 -0.22 0.00 0.00 54.13 55.92 3fnj s LEU 103 Cb -0.12 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.94 3fnj s LEU 103 CO 0.02 -0.91 1.46 0.00 -1.32 0.00 0.00 176.35 175.61 3fnj s ALA 104 N 3.93 3.64 0.00 5.97 0.00 -0.54 -1.82 121.76 132.94 3fnj s ALA 104 Ca 0.72 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.06 3fnj s ALA 104 Cb -0.32 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3fnj s ALA 104 CO 0.28 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3fnj n GLY 105 N 2.04 1.58 7.00 0.00 0.00 -1.26 -4.53 105.19 110.01 3fnj n GLY 105 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.66 0.00 0.18 4.61 0.00 -0.75 -0.22 120.51 124.99 3fnj n ALA 106 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3fnj n ALA 106 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 0.05 0.00 7.12 -1.49 -2.70 115.31 118.29 3fnj h LEU 107 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 3fnj h LEU 107 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 3fnj h LEU 107 CO 0.00 0.41 -0.02 -0.08 -0.13 0.00 0.00 178.44 178.62 3fnj h GLU 108 N 0.00 -0.06 -0.29 1.25 4.81 -1.34 -1.81 114.58 117.14 3fnj h GLU 108 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3fnj h GLU 108 Cb 0.90 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3fnj h GLU 108 CO 0.05 0.04 -0.32 0.78 -0.73 0.00 0.00 179.01 178.83 3fnj h GLY 109 N -0.15 0.67 1.01 1.92 0.00 -0.56 -1.60 103.07 104.37 3fnj h GLY 109 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3fnj h GLY 109 CO 0.01 0.56 0.54 -0.25 0.00 0.00 0.00 176.54 177.40 3fnj h TRP 110 N 0.53 1.11 -0.01 5.60 2.91 -1.37 -1.59 115.95 123.13 3fnj h TRP 110 Ca 0.06 0.01 -0.16 0.00 1.13 0.00 0.00 58.89 59.93 3fnj h TRP 110 Cb 0.81 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 3fnj h TRP 110 CO 0.03 0.72 -0.73 0.87 -1.03 0.00 0.00 178.44 178.30 3fnj h LYS 111 N 1.17 0.06 -1.97 2.65 1.57 -1.17 -2.83 116.57 116.04 3fnj h LYS 111 Ca 0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3fnj h LYS 111 Cb -0.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3fnj h LYS 111 CO -0.06 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 3fnj n GLY 112 N 0.57 0.18 2.71 3.86 0.00 -0.60 -4.40 105.19 107.51 3fnj n GLY 112 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 1.19 0.98 -3.42 1.61 6.02 -1.20 -5.09 117.38 117.47 3fnj n GLN 114 Ca 0.00 -1.77 -0.21 0.00 -0.01 0.00 0.00 57.00 55.00 3fnj n GLN 114 Cb 0.02 -0.67 -0.00 0.00 1.02 0.00 0.00 30.24 30.60 3fnj n GLN 114 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fnj s LEU 115 N -2.43 3.95 -0.08 1.08 1.43 -1.07 -5.03 118.68 116.53 3fnj s LEU 115 Ca 0.21 0.09 -0.35 0.00 -1.03 0.00 0.00 54.13 53.05 3fnj s LEU 115 Cb 0.31 -2.97 -0.13 0.00 0.03 0.00 0.00 46.19 43.44 3fnj s LEU 115 CO -0.07 -0.42 1.81 -0.81 0.23 0.00 0.00 176.35 177.09 3fnj n PRO 116 N -1.74 2.01 -3.91 1.29 -0.04 -1.26 -4.84 135.00 126.50 3fnj n PRO 116 Ca -0.02 0.74 -0.10 0.00 -0.04 0.00 0.00 63.50 64.07 3fnj n PRO 116 Cb 0.57 -2.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 3fnj n PRO 116 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3fnj s VAL 117 N 3.50 0.09 0.39 0.52 -7.23 -1.26 -1.02 120.40 115.38 3fnj s VAL 117 Ca 0.91 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 60.35 3fnj s VAL 117 Cb -0.75 -0.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.84 3fnj s VAL 117 CO 0.52 -0.41 0.03 -1.84 -0.31 0.00 0.00 175.10 173.08 3fnj n GLU 118 N 1.60 0.94 -3.90 4.82 0.28 0.25 -4.76 120.64 119.86 3fnj n GLU 118 Ca -0.23 -2.91 -0.34 0.00 -0.16 0.00 0.00 57.16 53.52 3fnj n GLU 118 Cb 0.56 0.94 -0.13 0.00 1.43 0.00 0.00 31.44 34.23 3fnj n GLU 118 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3fnj s THR 119 N -2.53 2.85 0.00 3.84 -4.23 -1.26 -0.91 115.64 113.40 3fnj s THR 119 Ca 0.04 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3fnj s THR 119 Cb 0.00 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.99 3fnj s THR 119 CO 0.03 -0.41 0.00 -0.11 -0.54 0.00 0.00 174.62 173.59