#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 0.05 0.19 6.41 3.45 -2.05 0.62 116.42 125.09 3fnj h ASP 3 Ca 0.00 -0.02 -0.30 0.00 0.43 0.00 0.00 57.03 57.14 3fnj h ASP 3 Cb 0.00 -0.01 0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3fnj h ASP 3 CO 0.00 0.47 -1.30 0.11 -1.57 0.00 0.00 179.24 176.95 3fnj h LYS 4 N 0.04 0.54 -0.70 3.56 1.57 -2.05 -2.48 116.57 117.05 3fnj h LYS 4 Ca 0.00 -0.84 -0.05 0.00 -1.87 0.00 0.00 60.65 57.89 3fnj h LYS 4 Cb 0.77 0.30 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3fnj h LYS 4 CO 0.06 1.39 0.22 0.87 -0.57 0.00 0.00 179.45 181.42 3fnj h LYS 5 N 0.11 1.08 -0.35 3.15 1.57 -1.96 -1.92 116.57 118.25 3fnj h LYS 5 Ca -0.22 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 3fnj h LYS 5 Cb 2.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 3fnj h LYS 5 CO 0.25 0.92 -0.39 0.82 -0.57 0.00 0.00 179.45 180.47 3fnj h ILE 6 N 1.04 1.28 -0.50 1.86 2.04 -0.95 -1.74 117.51 120.54 3fnj h ILE 6 Ca 0.23 -1.57 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 3fnj h ILE 6 Cb 0.29 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3fnj h ILE 6 CO -0.01 0.52 -0.06 -0.08 0.00 0.00 0.00 178.15 178.51 3fnj h GLU 7 N 0.69 0.92 0.12 2.37 4.57 -1.26 -1.80 114.58 120.20 3fnj h GLU 7 Ca 0.06 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3fnj h GLU 7 Cb 0.97 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3fnj h GLU 7 CO 0.09 0.98 -0.06 1.25 -1.18 0.00 0.00 179.01 180.10 3fnj h LEU 8 N 0.78 -0.13 -1.29 1.64 5.85 -1.31 -2.34 115.31 118.51 3fnj h LEU 8 Ca 0.13 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.65 3fnj h LEU 8 Cb 0.61 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 3fnj h LEU 8 CO 0.04 0.24 0.53 -0.07 -0.34 0.00 0.00 178.44 178.84 3fnj h LEU 9 N -0.52 0.72 -0.15 2.25 3.38 -1.34 0.61 115.31 120.27 3fnj h LEU 9 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3fnj h LEU 9 Cb 0.42 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3fnj h LEU 9 CO 0.03 0.44 -0.11 0.74 0.09 0.00 0.00 178.44 179.63 3fnj h THR 10 N 0.81 1.33 -0.00 0.22 2.02 -1.29 -0.53 112.91 115.46 3fnj h THR 10 Ca 0.37 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 3fnj h THR 10 Cb 0.38 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3fnj h THR 10 CO -0.14 0.35 -0.00 0.74 0.37 0.00 0.00 175.52 176.84 3fnj h THR 11 N -0.02 1.38 -0.23 3.16 2.02 -0.89 -2.54 112.91 115.78 3fnj h THR 11 Ca 0.03 -1.12 0.06 0.00 0.77 0.00 0.00 66.41 66.15 3fnj h THR 11 Cb 0.61 2.13 -0.07 0.00 -1.74 0.00 0.00 68.15 69.08 3fnj h THR 11 CO 0.03 0.29 -0.28 0.22 0.37 0.00 0.00 175.52 176.15 3fnj h TYR 12 N -0.47 -0.76 0.00 3.16 3.20 0.17 -0.52 116.97 121.75 3fnj h TYR 12 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3fnj h TYR 12 Cb 0.48 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 3fnj h TYR 12 CO 0.09 -0.35 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.17 3fnj h LEU 13 N -0.30 0.00 0.00 2.82 3.38 -1.13 -0.42 115.31 119.66 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3fnj h LEU 13 CO -0.40 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 176.61 3fnj n SER 14 N -4.44 0.00 0.18 -0.43 3.41 -0.21 -1.88 113.62 110.25 3fnj n SER 14 Ca -0.03 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 3fnj n SER 14 Cb 0.10 -0.49 0.17 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.00-10.07 1.04 3.38 -1.00 -3.47 115.31 105.19 3fnj h LEU 15 Ca 0.00 -0.01 -0.48 0.00 0.09 0.00 0.00 57.88 57.48 3fnj h LEU 15 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3fnj h LEU 15 CO 0.00 0.00 -0.45 -0.31 0.09 0.00 0.00 178.44 177.77 3fnj s TYR 16 N -3.22 3.05 -0.02 1.13 1.51 -0.79 -1.04 117.35 117.97 3fnj s TYR 16 Ca 0.06 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 3fnj s TYR 16 Cb 0.07 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 3fnj s TYR 16 CO 0.68 0.27 -0.04 -1.50 -1.11 0.00 0.00 175.55 173.85 3fnj s ILE 17 N -2.20 0.40 0.40 2.71 2.07 -0.37 -4.75 121.20 119.46 3fnj s ILE 17 Ca 0.39 -0.11 -0.27 0.00 -1.41 0.00 0.00 60.65 59.24 3fnj s ILE 17 Cb -0.07 -0.41 -0.10 0.00 0.13 0.00 0.00 42.46 42.01 3fnj s ILE 17 CO 0.27 0.16 1.44 -0.62 -1.91 0.00 0.00 174.94 174.29 3fnj s ASP 18 N 0.54 6.22 0.53 4.50 -1.08 -1.26 -1.73 116.67 124.38 3fnj s ASP 18 Ca -0.06 2.96 0.33 0.00 -0.52 0.00 0.00 52.55 55.26 3fnj s ASP 18 Cb -0.10 -2.66 1.32 0.00 -1.46 0.00 0.00 42.92 40.03 3fnj s ASP 18 CO -0.00 -0.94 1.96 1.12 0.52 0.00 0.00 175.17 177.82 3fnj h HIS 19 N 2.79 0.00 0.00 -5.34 2.07 -1.96 -2.28 115.15 110.44 3fnj h HIS 19 Ca -0.51 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.98 3fnj h HIS 19 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.22 3fnj h HIS 19 CO 0.52 0.00 -0.16 1.25 -3.07 0.00 0.00 177.93 176.47 3fnj h HIS 20 N 0.00 0.00 0.00 6.12 6.17 -1.95 -1.88 115.15 123.61 3fnj h HIS 20 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.82 3fnj h HIS 20 Cb 0.51 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.40 3fnj h HIS 20 CO 0.00 0.16 -1.57 1.15 0.71 0.00 0.00 177.93 178.38 3fnj h THR 21 N 0.00 0.86 0.08 6.26 2.02 -1.79 -3.13 112.91 117.21 3fnj h THR 21 Ca -0.00 -2.63 -0.25 0.00 0.77 0.00 0.00 66.41 64.29 3fnj h THR 21 Cb 0.65 2.39 0.02 0.00 -1.74 0.00 0.00 68.15 69.47 3fnj h THR 21 CO 0.02 0.49 -1.05 0.58 0.37 0.00 0.00 175.52 175.94 3fnj h VAL 22 N 0.00 1.34 0.33 3.16 2.07 -1.45 -3.17 116.25 118.52 3fnj h VAL 22 Ca -0.23 -2.37 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 3fnj h VAL 22 Cb 1.91 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 34.38 3fnj h VAL 22 CO 0.08 0.71 -0.16 0.25 0.02 0.00 0.00 177.57 178.47 3fnj h LEU 23 N 0.14 -0.37 -0.64 2.57 6.46 -1.50 -1.47 115.31 120.50 3fnj h LEU 23 Ca -0.15 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 3fnj h LEU 23 Cb 1.74 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.77 3fnj h LEU 23 CO 0.20 -0.18 0.25 0.00 -0.62 0.00 0.00 178.44 178.08 3fnj n ALA 24 N -2.33 0.65 0.80 1.25 0.00 -1.18 -1.54 120.51 118.15 3fnj n ALA 24 Ca -0.10 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3fnj n ALA 24 Cb 0.22 -0.77 0.09 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 -1.84 1.76 0.00 0.00 2.03 -0.56 -3.32 116.55 114.63 3fnj n ASP 25 Ca -0.01 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.15 3fnj n ASP 25 Cb 0.26 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.10 0.00 -0.01 -0.67 10.64 -0.59 -0.91 117.38 125.94 3fnj n GLN 27 Ca 0.06 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.36 3fnj n GLN 27 Cb 0.38 0.00 0.27 0.00 -0.86 0.00 0.00 30.24 30.03 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 2.45 -3.88 2.61 4.13 -1.21 -4.99 115.26 114.37 3fnj n ASN 28 Ca 0.00 -1.81 -0.31 0.00 1.68 0.00 0.00 54.58 54.14 3fnj n ASN 28 Cb 0.00 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 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 0.91 -2.77 0.46 5.41 0.00 -0.09 -4.87 120.51 119.56 3fnj n ALA 29 Ca 0.16 -0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.33 3fnj n ALA 29 Cb 0.50 -1.13 0.12 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.24 0.27 -3.86 0.00 -2.24 -0.84 -4.98 114.28 99.38 3fnj n THR 30 Ca -0.28 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.57 3fnj n THR 30 Cb 0.67 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 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 1.01 -0.46 0.11 3.38 0.00 -1.26 -4.85 105.19 103.11 3fnj n GLY 31 Ca 0.12 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 3fnj n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fnj h LYS 32 N -1.19 0.22 -6.81 1.61 1.63 -1.94 -3.48 116.57 106.62 3fnj h LYS 32 Ca -0.50 -0.38 -0.67 0.00 -0.85 0.00 0.00 60.65 58.25 3fnj h LYS 32 Cb 1.33 0.14 -0.22 0.00 -0.60 0.00 0.00 32.23 32.88 3fnj h LYS 32 CO 0.66 1.06 -0.86 0.71 -3.45 0.00 0.00 179.45 177.57 3fnj s TYR 33 N -2.61 2.25 -0.22 1.91 2.02 -1.26 -3.43 117.35 116.01 3fnj s TYR 33 Ca -0.09 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3fnj s TYR 33 Cb 0.07 -1.21 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 3fnj s TYR 33 CO 0.84 0.34 -0.11 0.08 -1.57 0.00 0.00 175.55 175.12 3fnj s VAL 34 N -1.11 1.83 -0.18 0.71 1.01 -0.42 -4.98 120.40 117.26 3fnj s VAL 34 Ca 0.14 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 3fnj s VAL 34 Cb -0.10 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3fnj s VAL 34 CO 0.06 0.15 0.88 -0.69 0.00 0.00 0.00 175.10 175.50 3fnj s VAL 35 N 1.30 4.84 -0.21 2.92 1.01 -1.26 -1.82 120.40 127.18 3fnj s VAL 35 Ca -0.03 1.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 3fnj s VAL 35 Cb -0.17 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3fnj s VAL 35 CO -0.08 -0.02 -0.03 -0.76 0.00 0.00 0.00 175.10 174.22 3fnj s LEU 36 N 2.38 3.02 -0.96 3.92 1.43 -0.13 -0.00 118.68 128.34 3fnj s LEU 36 Ca 0.40 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 3fnj s LEU 36 Cb -0.16 -1.77 0.12 0.00 0.03 0.00 0.00 46.19 44.41 3fnj s LEU 36 CO 0.11 0.01 1.19 -0.62 0.23 0.00 0.00 176.35 177.27 3fnj s ASP 37 N 1.33 6.64 -0.00 2.29 3.68 -1.15 -1.72 116.67 127.73 3fnj s ASP 37 Ca 0.04 -2.05 0.00 0.00 2.13 0.00 0.00 52.55 52.67 3fnj s ASP 37 Cb -0.14 -2.42 0.01 0.00 -1.45 0.00 0.00 42.92 38.91 3fnj s ASP 37 CO -0.01 -1.09 0.72 1.33 0.13 0.00 0.00 175.17 176.25 3fnj n VAL 38 N 5.59 0.45 -2.17 1.11 0.24 -0.98 -3.89 118.33 118.68 3fnj n VAL 38 Ca 0.26 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 62.13 3fnj n VAL 38 Cb 0.49 -0.71 -0.03 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 -0.59 4.37 0.11 7.34 0.52 -1.26 -1.47 118.95 127.97 3fnj s ARG 39 Ca 0.00 2.12 0.15 0.00 -0.52 0.00 0.00 55.73 57.48 3fnj s ARG 39 Cb 0.00 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.21 3fnj s ARG 39 CO 0.00 -0.26 1.02 -0.91 0.02 0.00 0.00 175.30 175.17 3fnj h ASN 40 N 4.99 0.00 -3.85 0.23 -0.26 -1.94 -3.33 115.58 111.42 3fnj h ASN 40 Ca -0.46 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.72 3fnj h ASN 40 Cb 1.22 0.00 0.15 0.00 -1.06 0.00 0.00 38.32 38.63 3fnj h ASN 40 CO 0.75 0.65 0.43 0.00 -1.06 0.00 0.00 177.43 178.20 3fnj n ALA 41 N -2.36 1.02 -0.66 -0.83 0.00 -1.26 -4.96 120.51 111.45 3fnj n ALA 41 Ca -0.06 0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 3fnj n ALA 41 Cb 0.85 -2.27 0.17 0.00 0.00 0.00 0.00 19.45 18.21 3fnj n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fnj n PRO 42 N -1.14 -0.71 -0.12 0.00 -0.04 -1.26 -4.81 135.00 126.92 3fnj n PRO 42 Ca 0.12 -0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 3fnj n PRO 42 Cb 0.46 -2.28 0.46 0.00 -0.04 0.00 0.00 33.50 32.09 3fnj n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fnj h ALA 43 N -1.97 1.93 0.29 0.55 0.00 -1.96 -2.82 119.26 115.29 3fnj h ALA 43 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3fnj h ALA 43 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3fnj h ALA 43 CO 0.41 -0.07 -0.18 0.37 0.00 0.00 0.00 179.25 179.77 3fnj h GLN 44 N 0.51 -0.44 -0.19 0.00 5.75 -1.94 -1.20 115.11 117.59 3fnj h GLN 44 Ca 0.30 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.75 3fnj h GLN 44 Cb 0.50 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3fnj h GLN 44 CO -0.09 -0.30 -0.22 -0.39 -2.65 0.00 0.00 178.83 175.18 3fnj h VAL 45 N -0.46 1.24 -0.25 2.39 -1.51 -1.88 -3.10 116.25 112.68 3fnj h VAL 45 Ca -0.03 -1.11 -0.04 0.00 -1.23 0.00 0.00 66.70 64.29 3fnj h VAL 45 Cb 0.39 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 3fnj h VAL 45 CO 0.03 0.34 -0.01 0.11 -1.23 0.00 0.00 177.57 176.81 3fnj h LYS 46 N 0.30 0.45 0.00 5.19 1.57 -1.31 -3.46 116.57 119.32 3fnj h LYS 46 Ca 0.05 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3fnj h LYS 46 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3fnj h LYS 46 CO 0.04 0.63 0.00 0.36 -0.57 0.00 0.00 179.45 179.91 3fnj n LYS 47 N -4.62 0.00 -4.36 3.15 2.85 -0.47 -4.73 118.16 109.99 3fnj n LYS 47 Ca -0.04 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.02 3fnj n LYS 47 Cb 0.25 -0.21 -0.09 0.00 -0.65 0.00 0.00 35.03 34.33 3fnj n LYS 47 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3fnj s ASP 48 N 0.00 1.85 0.36 -5.58 -4.77 -1.26 -2.22 116.67 105.04 3fnj s ASP 48 Ca 0.00 -1.66 -0.12 0.00 -3.30 0.00 0.00 52.55 47.48 3fnj s ASP 48 Cb 0.00 0.48 0.05 0.00 -1.09 0.00 0.00 42.92 42.36 3fnj s ASP 48 CO 0.00 -0.96 0.68 0.00 0.70 0.00 0.00 175.17 175.59 3fnj n GLN 49 N -0.67 0.98 -2.61 2.11 10.64 0.29 -4.78 117.38 123.35 3fnj n GLN 49 Ca 0.02 -2.14 -0.42 0.00 -1.83 0.00 0.00 57.00 52.63 3fnj n GLN 49 Cb 0.64 2.54 -0.03 0.00 -0.86 0.00 0.00 30.24 32.54 3fnj n GLN 49 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3fnj s ILE 50 N -2.28 4.60 -0.63 -0.39 1.01 -1.26 -0.02 121.20 122.24 3fnj s ILE 50 Ca 0.17 1.89 -0.38 0.00 0.00 0.00 0.00 60.65 62.33 3fnj s ILE 50 Cb -0.04 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 38.04 3fnj s ILE 50 CO 0.12 -0.01 2.33 1.17 0.00 0.00 0.00 174.94 178.56 3fnj n LYS 51 N 5.18 0.23 0.00 2.79 0.00 -1.08 0.58 118.16 125.86 3fnj n LYS 51 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.45 3fnj n LYS 51 Cb 0.48 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.75 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 6.96 0.39 3.77 3.14 0.00 -1.26 -4.93 105.19 113.26 3fnj n GLY 52 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 2.67 -0.49 4.61 0.00 0.20 -4.64 121.76 122.11 3fnj s ALA 53 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 3fnj s ALA 53 Cb 0.00 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.88 3fnj s ALA 53 CO 0.00 -0.83 0.38 0.42 0.00 0.00 0.00 175.76 175.73 3fnj s ILE 54 N -1.83 4.49 0.73 0.00 1.01 1.00 -4.90 121.20 121.69 3fnj s ILE 54 Ca 0.72 -1.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.54 3fnj s ILE 54 Cb -0.24 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3fnj s ILE 54 CO 0.29 -0.78 0.73 0.00 0.00 0.00 0.00 174.94 175.18 3fnj n ALA 55 N 5.00 -0.96 -2.49 9.38 0.00 -1.26 -2.96 120.51 127.22 3fnj n ALA 55 Ca -0.10 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 3fnj n ALA 55 Cb 0.41 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.76 3fnj n ALA 55 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3fnj s PRO 57 N -3.06 1.22 0.46 0.00 0.02 -1.25 -4.90 135.00 127.49 3fnj s PRO 57 Ca 0.69 -1.20 0.24 0.00 0.02 0.00 0.00 61.00 60.75 3fnj s PRO 57 Cb -0.34 -1.54 1.09 0.00 0.02 0.00 0.00 34.50 33.72 3fnj s PRO 57 CO 0.55 0.36 1.91 0.00 -0.33 0.00 0.00 177.00 179.49 3fnj h ALA 58 N 4.09 1.15 0.00 -1.55 0.00 -1.49 -1.61 119.26 119.85 3fnj h ALA 58 Ca -0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3fnj h ALA 58 Cb 1.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fnj h ALA 58 CO 0.40 0.27 -0.10 1.57 0.00 0.00 0.00 179.25 181.39 3fnj h LYS 59 N 0.00 0.00 0.00 0.00 2.10 -1.94 -3.27 116.57 113.46 3fnj h LYS 59 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fnj h LYS 59 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3fnj h LYS 59 CO 0.03 0.10 -1.18 -0.25 -2.00 0.00 0.00 179.45 176.15 3fnj n ASP 60 N -3.20 2.44 0.16 7.07 8.00 -1.08 -4.59 116.55 125.35 3fnj n ASP 60 Ca 0.01 -0.15 0.18 0.00 0.71 0.00 0.00 54.79 55.54 3fnj n ASP 60 Cb 0.41 1.31 0.68 0.00 -0.02 0.00 0.00 41.12 43.50 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 0.00 -0.77 0.64 5.85 -1.35 0.14 115.31 119.82 3fnj h LEU 61 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3fnj h LEU 61 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3fnj h LEU 61 CO 0.00 0.00 -0.07 0.00 -0.34 0.00 0.00 178.44 178.03 3fnj h ALA 62 N 1.22 0.96 0.04 1.25 0.00 -1.81 -3.05 119.26 117.88 3fnj h ALA 62 Ca 0.15 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 3fnj h ALA 62 Cb 1.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3fnj h ALA 62 CO -0.00 0.62 -1.87 0.25 0.00 0.00 0.00 179.25 178.25 3fnj n THR 63 N -4.17 1.62 0.70 0.00 -2.24 0.39 -4.22 114.28 106.36 3fnj n THR 63 Ca 0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3fnj n THR 63 Cb 0.35 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 3fnj n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fnj n ARG 64 N -3.93 0.51 -0.01 -0.78 1.74 -0.65 -3.29 116.66 110.24 3fnj n ARG 64 Ca -0.37 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 56.83 3fnj n ARG 64 Cb 0.88 -1.16 0.68 0.00 -1.02 0.00 0.00 32.46 31.84 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 -0.04 0.03 1.04 0.55 3.06 -1.15 -3.08 119.36 119.76 3fnj n ILE 65 Ca 0.00 -0.08 0.14 0.00 -2.50 0.00 0.00 62.75 60.31 3fnj n ILE 65 Cb 0.08 -0.17 0.60 0.00 0.54 0.00 0.00 39.64 40.68 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 0.97 -1.45 1.54 4.50 0.00 -1.21 -3.45 105.19 106.09 3fnj n GLY 66 Ca 0.19 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 3fnj n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3fnj n GLU 67 N -1.47 2.38 -4.35 1.61 0.28 -1.18 -4.98 120.64 112.94 3fnj n GLU 67 Ca 0.08 -3.08 -0.28 0.00 -0.16 0.00 0.00 57.16 53.72 3fnj n GLU 67 Cb 0.33 -1.98 -0.11 0.00 1.43 0.00 0.00 31.44 31.11 3fnj n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fnj s LEU 68 N -3.17 2.66 -0.20 -1.84 1.43 -1.22 -5.11 118.68 111.23 3fnj s LEU 68 Ca 0.49 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 3fnj s LEU 68 Cb 0.42 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 3fnj s LEU 68 CO 0.06 0.14 0.68 -0.62 0.23 0.00 0.00 176.35 176.84 3fnj s ASP 69 N -2.53 6.74 0.58 2.29 -1.08 -1.26 -4.96 116.67 116.46 3fnj s ASP 69 Ca 0.21 0.90 0.36 0.00 -0.52 0.00 0.00 52.55 53.50 3fnj s ASP 69 Cb -0.09 -2.37 1.72 0.00 -1.46 0.00 0.00 42.92 40.72 3fnj s ASP 69 CO 0.11 -0.32 2.12 -0.65 0.52 0.00 0.00 175.17 176.95 3fnj h PRO 70 N 7.51 0.00 0.00 4.34 0.11 -1.99 -3.06 132.00 138.90 3fnj h PRO 70 Ca -0.30 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.52 3fnj h PRO 70 Cb 1.14 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3fnj h PRO 70 CO 0.79 0.02 -1.79 0.00 -0.21 0.00 0.00 178.00 176.81 3fnj n ALA 71 N -2.11 1.53 -1.58 -0.75 0.00 -1.26 -4.74 120.51 111.60 3fnj n ALA 71 Ca -0.01 -0.84 -0.33 0.00 0.00 0.00 0.00 53.44 52.27 3fnj n ALA 71 Cb 0.22 -0.76 0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.61 3.03 -0.17 0.00 1.02 -1.16 -5.01 119.74 114.85 3fnj s LYS 72 Ca -0.05 1.27 -0.10 0.00 0.02 0.00 0.00 55.97 57.11 3fnj s LYS 72 Cb 0.08 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.35 3fnj s LYS 72 CO 0.83 -1.05 0.16 0.99 -0.92 0.00 0.00 175.35 175.36 3fnj s THR 73 N -2.45 5.41 0.01 2.17 2.01 -1.22 -4.51 115.64 117.06 3fnj s THR 73 Ca 0.65 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.91 3fnj s THR 73 Cb -0.18 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3fnj s THR 73 CO 0.41 0.48 0.01 -0.31 -0.69 0.00 0.00 174.62 174.51 3fnj s TYR 74 N 0.04 3.09 -0.21 4.92 2.02 -0.53 -1.30 117.35 125.37 3fnj s TYR 74 Ca 0.11 0.08 -0.00 0.00 -0.37 0.00 0.00 57.07 56.88 3fnj s TYR 74 Cb -0.12 -1.66 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 3fnj s TYR 74 CO 0.00 0.47 -0.04 0.08 -1.57 0.00 0.00 175.55 174.50 3fnj s VAL 75 N -1.13 1.26 0.23 0.71 1.01 -0.75 -1.07 120.40 120.66 3fnj s VAL 75 Ca 0.21 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3fnj s VAL 75 Cb -0.12 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3fnj s VAL 75 CO 0.12 -0.04 0.49 0.68 0.00 0.00 0.00 175.10 176.34 3fnj s VAL 76 N 1.53 5.07 0.18 2.92 -7.23 -0.51 -0.95 120.40 121.41 3fnj s VAL 76 Ca -0.03 0.04 -0.13 0.00 -1.81 0.00 0.00 61.98 60.05 3fnj s VAL 76 Cb -0.17 -3.69 0.01 0.00 0.56 0.00 0.00 36.38 33.08 3fnj s VAL 76 CO -0.07 -0.18 0.41 -0.72 -0.31 0.00 0.00 175.10 174.23 3fnj s TYR 77 N -1.92 0.12 0.07 2.82 -0.85 -0.70 -0.00 117.35 116.89 3fnj s TYR 77 Ca 0.43 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.51 3fnj s TYR 77 Cb -0.11 0.18 -0.00 0.00 0.38 0.00 0.00 41.96 42.41 3fnj s TYR 77 CO 0.27 -0.83 0.07 -3.47 -1.52 0.00 0.00 175.55 170.08 3fnj n ASP 78 N -0.28 -0.19 0.27 -0.18 2.03 -1.26 -2.32 116.55 114.62 3fnj n ASP 78 Ca -0.09 -1.45 -0.16 0.00 0.52 0.00 0.00 54.79 53.61 3fnj n ASP 78 Cb 0.63 0.40 -0.08 0.00 -0.72 0.00 0.00 41.12 41.35 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 1.22 -0.90 -3.97 -0.67 4.06 -1.97 0.17 115.95 113.89 3fnj h TRP 79 Ca -0.05 -0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.68 3fnj h TRP 79 Cb 0.25 0.33 -0.19 0.00 -1.00 0.00 0.00 29.16 28.56 3fnj h TRP 79 CO 0.00 -0.50 -0.71 0.95 -3.56 0.00 0.00 178.44 174.62 3fnj s THR 80 N -6.02 0.43 -0.56 1.49 -4.23 -1.26 -1.43 115.64 104.06 3fnj s THR 80 Ca -0.17 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3fnj s THR 80 Cb 0.05 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 73.04 3fnj s THR 80 CO 0.63 -0.59 0.49 0.61 -0.54 0.00 0.00 174.62 175.22 3fnj n GLY 81 N 1.02 1.16 2.01 3.99 0.00 -1.26 -3.91 105.19 108.21 3fnj n GLY 81 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 0.39 5.05 3.24 -0.02 0.00 -1.26 -4.98 105.19 107.61 3fnj n GLY 82 Ca 0.00 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.75 0.08 -1.77 2.61 -4.23 -1.25 -5.04 115.64 102.29 3fnj s THR 83 Ca 0.56 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 3fnj s THR 83 Cb 0.47 -1.99 0.29 0.00 1.34 0.00 0.00 72.50 72.61 3fnj s THR 83 CO 0.05 -0.36 1.20 0.35 -0.54 0.00 0.00 174.62 175.32 3fnj n THR 84 N -0.16 0.56 0.09 3.99 -2.24 -1.26 -4.24 114.28 111.03 3fnj n THR 84 Ca -0.06 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 3fnj n THR 84 Cb 0.63 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.83 -0.18 -0.37 3.22 3.38 -1.96 0.06 115.31 121.30 3fnj h LEU 85 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fnj h LEU 85 Cb 0.55 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3fnj h LEU 85 CO 0.04 0.06 0.23 1.23 0.09 0.00 0.00 178.44 180.08 3fnj h GLY 86 N -0.41 0.52 1.45 0.83 0.00 -1.91 -0.82 103.07 102.72 3fnj h GLY 86 Ca -0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3fnj h GLY 86 CO 0.03 0.16 -0.04 0.50 0.00 0.00 0.00 176.54 177.20 3fnj h LYS 87 N 0.46 0.67 -0.36 4.80 1.57 -1.79 -0.42 116.57 121.51 3fnj h LYS 87 Ca 0.14 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3fnj h LYS 87 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3fnj h LYS 87 CO -0.05 0.72 -0.26 1.15 -0.57 0.00 0.00 179.45 180.44 3fnj h THR 88 N 0.63 1.29 -0.47 -0.16 2.02 -0.73 -1.48 112.91 114.01 3fnj h THR 88 Ca 0.12 -1.41 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 3fnj h THR 88 Cb 0.45 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3fnj h THR 88 CO 0.02 0.47 0.01 0.00 0.37 0.00 0.00 175.52 176.39 3fnj h ALA 89 N 0.77 1.14 -0.22 6.16 0.00 -0.92 -2.08 119.26 124.12 3fnj h ALA 89 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3fnj h ALA 89 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3fnj h ALA 89 CO 0.07 0.55 -0.29 1.25 0.00 0.00 0.00 179.25 180.83 3fnj h LEU 90 N 0.71 0.43 -0.42 0.00 5.85 -0.90 -0.37 115.31 120.62 3fnj h LEU 90 Ca 0.14 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3fnj h LEU 90 Cb 0.43 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3fnj h LEU 90 CO 0.02 0.71 0.08 0.25 -0.34 0.00 0.00 178.44 179.16 3fnj h LEU 91 N 0.37 0.65 -0.03 2.25 5.85 -0.71 0.22 115.31 123.91 3fnj h LEU 91 Ca 0.05 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3fnj h LEU 91 Cb 0.71 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3fnj h LEU 91 CO 0.05 0.73 0.02 0.58 -0.34 0.00 0.00 178.44 179.48 3fnj h VAL 92 N 0.54 1.04 0.53 1.05 2.07 -0.98 -2.60 116.25 117.91 3fnj h VAL 92 Ca 0.13 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3fnj h VAL 92 Cb 0.35 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3fnj h VAL 92 CO 0.01 0.03 -0.26 -0.07 0.02 0.00 0.00 177.57 177.30 3fnj h LEU 93 N 0.00 -0.60 -2.34 2.57 3.38 -0.99 -2.75 115.31 114.58 3fnj h LEU 93 Ca 0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fnj h LEU 93 Cb 0.04 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3fnj h LEU 93 CO -0.00 -0.20 0.22 -0.07 0.09 0.00 0.00 178.44 178.47 3fnj h LEU 94 N -1.12 0.00 0.18 1.67 3.38 -1.05 -1.62 115.31 116.75 3fnj h LEU 94 Ca -0.07 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.63 3fnj h LEU 94 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 3fnj h LEU 94 CO 0.12 0.00 -1.21 0.28 0.09 0.00 0.00 178.44 177.72 3fnj h SER 95 N 0.00 0.60 0.00 -0.43 0.02 -1.42 -3.27 113.55 109.05 3fnj h SER 95 Ca 0.01 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 3fnj h SER 95 Cb 0.45 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3fnj h SER 95 CO -0.00 1.57 0.00 0.00 -1.14 0.00 0.00 176.83 177.26 3fnj n ALA 96 N -2.75 2.18 0.00 3.77 0.00 -0.66 -4.81 120.51 118.25 3fnj n ALA 96 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3fnj n ALA 96 Cb 0.95 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 0.18 3.43 3.37 0.00 0.00 -1.16 -5.06 105.19 105.94 3fnj n GLY 97 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.88 -1.28 -4.02 1.61 3.72 -0.92 -4.94 117.46 109.75 3fnj n PHE 98 Ca 0.00 0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.18 3fnj n PHE 98 Cb 0.00 -1.65 -0.16 0.00 -0.94 0.00 0.00 39.48 36.72 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 -3.78 2.32 0.17 -1.08 2.12 -1.26 -4.13 118.70 113.06 3fnj s GLU 99 Ca 0.60 -0.58 -0.06 0.00 0.36 0.00 0.00 54.97 55.28 3fnj s GLU 99 Cb -0.17 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 32.06 3fnj s GLU 99 CO 0.66 -0.24 0.23 0.00 -0.54 0.00 0.00 175.26 175.37 3fnj s ALA 100 N 1.48 0.36 0.14 6.30 0.00 -1.26 -1.45 121.76 127.32 3fnj s ALA 100 Ca 0.05 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3fnj s ALA 100 Cb -0.13 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3fnj s ALA 100 CO -0.11 -0.63 0.19 0.71 0.00 0.00 0.00 175.76 175.92 3fnj s TYR 101 N -4.02 0.53 -0.13 0.00 2.02 -0.23 -4.96 117.35 110.56 3fnj s TYR 101 Ca 0.23 -0.91 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 3fnj s TYR 101 Cb 0.04 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 3fnj s TYR 101 CO 0.04 -0.63 0.15 -2.00 -1.57 0.00 0.00 175.55 171.54 3fnj s GLU 102 N -3.98 3.58 -0.43 -0.62 2.12 -0.21 -1.42 118.70 117.74 3fnj s GLU 102 Ca 0.18 -0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.11 3fnj s GLU 102 Cb 0.05 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3fnj s GLU 102 CO -0.01 0.70 1.72 -1.17 -0.54 0.00 0.00 175.26 175.96 3fnj s LEU 103 N -0.81 3.46 -0.04 2.70 2.96 0.99 -1.23 118.68 126.71 3fnj s LEU 103 Ca 0.14 0.92 -0.31 0.00 -0.22 0.00 0.00 54.13 54.66 3fnj s LEU 103 Cb -0.12 -3.26 -0.10 0.00 0.50 0.00 0.00 46.19 43.21 3fnj s LEU 103 CO 0.04 -1.81 1.97 0.00 -1.32 0.00 0.00 176.35 175.22 3fnj n ALA 104 N 10.55 1.34 0.00 5.97 0.00 -0.71 -0.79 120.51 136.87 3fnj n ALA 104 Ca 0.20 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3fnj n ALA 104 Cb 0.48 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.30 3fnj n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnj n GLY 105 N 4.66 0.17 7.00 0.00 0.00 -1.26 -4.33 105.19 111.43 3fnj n GLY 105 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.78 0.00 0.17 4.61 0.00 0.03 0.38 120.51 123.92 3fnj n ALA 106 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3fnj n ALA 106 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.13 0.00 5.85 -0.62 -2.94 115.31 117.47 3fnj h LEU 107 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3fnj h LEU 107 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3fnj h LEU 107 CO 0.00 0.44 0.04 -0.08 -0.34 0.00 0.00 178.44 178.50 3fnj h GLU 108 N 0.00 0.19 0.00 1.25 4.81 -1.25 -1.78 114.58 117.81 3fnj h GLU 108 Ca -0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3fnj h GLU 108 Cb 0.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3fnj h GLU 108 CO 0.06 0.31 -0.37 0.78 -0.73 0.00 0.00 179.01 179.06 3fnj h GLY 109 N 0.03 0.00 1.79 1.92 0.00 -0.07 -1.72 103.07 105.02 3fnj h GLY 109 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 3fnj h GLY 109 CO -0.00 0.00 -0.62 -0.25 0.00 0.00 0.00 176.54 175.67 3fnj h TRP 110 N 0.00 0.28 0.24 5.60 2.91 -1.36 -3.18 115.95 120.44 3fnj h TRP 110 Ca -0.00 -0.11 -0.32 0.00 1.13 0.00 0.00 58.89 59.59 3fnj h TRP 110 Cb 0.73 -0.05 0.04 0.00 -0.51 0.00 0.00 29.16 29.36 3fnj h TRP 110 CO 0.00 0.78 -1.40 0.87 -1.03 0.00 0.00 178.44 177.66 3fnj h LYS 111 N 0.16 0.51 -1.96 2.65 1.57 -1.12 -2.09 116.57 116.29 3fnj h LYS 111 Ca -0.01 -0.87 0.00 0.00 -1.87 0.00 0.00 60.65 57.91 3fnj h LYS 111 Cb 1.13 0.32 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3fnj h LYS 111 CO 0.10 1.41 0.00 0.41 -0.57 0.00 0.00 179.45 180.80 3fnj n GLY 112 N 1.72 0.32 2.11 3.86 0.00 -0.67 -4.11 105.19 108.42 3fnj n GLY 112 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.62 0.91 -1.93 1.61 1.13 -1.24 -5.10 117.38 114.37 3fnj n GLN 114 Ca 0.00 -1.56 -0.31 0.00 -1.94 0.00 0.00 57.00 53.19 3fnj n GLN 114 Cb 0.00 0.11 0.01 0.00 0.11 0.00 0.00 30.24 30.47 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 -2.54 3.32 -0.16 1.08 1.02 -0.79 -4.96 118.68 115.65 3fnj s LEU 115 Ca 0.11 1.54 -0.32 0.00 0.02 0.00 0.00 54.13 55.48 3fnj s LEU 115 Cb 0.30 -4.49 -0.10 0.00 0.02 0.00 0.00 46.19 41.92 3fnj s LEU 115 CO -0.08 -0.98 2.05 -0.81 0.02 0.00 0.00 176.35 176.55 3fnj n PRO 116 N -2.51 1.97 -4.25 1.29 -0.04 -1.26 -4.79 135.00 125.40 3fnj n PRO 116 Ca 0.07 0.65 -0.29 0.00 -0.04 0.00 0.00 63.50 63.89 3fnj n PRO 116 Cb 0.54 -2.80 -0.17 0.00 -0.04 0.00 0.00 33.50 31.03 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 5.90 1.56 -0.03 0.52 -7.23 -1.26 -2.63 120.40 117.23 3fnj s VAL 117 Ca 0.98 -0.65 -0.19 0.00 -1.81 0.00 0.00 61.98 60.30 3fnj s VAL 117 Cb -0.61 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 3fnj s VAL 117 CO 0.46 0.46 0.55 -0.70 -0.31 0.00 0.00 175.10 175.55 3fnj s GLU 118 N 1.23 4.28 -0.15 4.82 2.12 0.97 -4.75 118.70 127.23 3fnj s GLU 118 Ca -0.01 0.63 -0.25 0.00 0.36 0.00 0.00 54.97 55.70 3fnj s GLU 118 Cb -0.14 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 3fnj s GLU 118 CO -0.06 0.35 0.81 -0.08 -0.54 0.00 0.00 175.26 175.74 3fnj s THR 119 N -0.06 4.91 0.00 -1.70 -1.32 -1.26 -0.54 115.64 115.66 3fnj s THR 119 Ca 0.29 1.61 0.00 0.00 -1.21 0.00 0.00 61.69 62.38 3fnj s THR 119 Cb -0.17 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 66.69 3fnj s THR 119 CO 0.15 0.06 0.00 -0.11 -2.21 0.00 0.00 174.62 172.51