#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftu n VAL 2 N 0.00 0.47 0.12 8.89 0.24 -1.26 -4.94 118.33 121.85 2ftu n VAL 2 Ca 0.00 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 2ftu n VAL 2 Cb 0.00 -0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 31.80 2ftu n VAL 2 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2ftu h SER 3 N -1.06 -0.21 -5.72 -1.34 0.87 -2.00 -3.49 113.55 100.61 2ftu h SER 3 Ca -0.44 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2ftu h SER 3 Cb 1.31 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2ftu h SER 3 CO 0.34 -0.08 -0.99 1.57 -0.53 0.00 0.00 176.83 177.15 2ftu n HIS 4 N -5.16 -2.10 0.00 2.24 -0.00 -1.26 -5.06 115.22 103.88 2ftu n HIS 4 Ca -0.09 0.96 0.00 0.00 -0.00 0.00 0.00 57.72 58.59 2ftu n HIS 4 Cb 0.15 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 27.58 2ftu n HIS 4 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2ftu n GLN 5 N 1.10 0.00 -0.16 1.57 7.27 -1.26 -5.04 117.38 120.85 2ftu n GLN 5 Ca -0.02 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.07 2ftu n GLN 5 Cb 0.25 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.90 2ftu n GLN 5 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ftu n GLY 6 N 2.33 -1.69 1.45 1.69 0.00 -1.26 -4.94 105.19 102.77 2ftu n GLY 6 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2ftu n GLY 6 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ftu n TYR 7 N -2.06 -2.08 -3.58 1.61 9.36 -1.26 -5.10 117.16 114.05 2ftu n TYR 7 Ca -0.00 0.15 -0.09 0.00 3.32 0.00 0.00 57.90 61.28 2ftu n TYR 7 Cb 0.07 0.71 -0.05 0.00 -0.63 0.00 0.00 39.34 39.44 2ftu n TYR 7 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2ftu s SER 8 N -1.12 -0.32 0.00 2.98 0.01 -1.26 -4.85 113.70 109.13 2ftu s SER 8 Ca 0.00 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2ftu s SER 8 Cb 0.00 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2ftu s SER 8 CO 0.00 -0.31 0.00 1.07 0.41 0.00 0.00 173.24 174.41 2ftu n THR 9 N 0.64 0.00 -3.19 1.44 5.66 -1.26 -4.99 114.28 112.58 2ftu n THR 9 Ca -0.09 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.92 2ftu n THR 9 Cb 0.58 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 2ftu n THR 9 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2ftu s GLU 10 N 0.00 0.79 0.35 1.09 0.41 -1.26 -4.98 118.70 115.10 2ftu s GLU 10 Ca 0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2ftu s GLU 10 Cb 0.00 0.10 0.00 0.00 -1.78 0.00 0.00 34.13 32.45 2ftu s GLU 10 CO 0.00 -1.14 0.00 0.00 -0.49 0.00 0.00 175.26 173.63 2ftu n ALA 11 N 4.38 -3.53 -2.06 5.21 0.00 -1.26 -4.28 120.51 118.96 2ftu n ALA 11 Ca 0.11 0.48 0.05 0.00 0.00 0.00 0.00 53.44 54.08 2ftu n ALA 11 Cb 0.57 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.85 2ftu n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ftu n GLU 12 N -4.10 0.58 -2.36 0.00 4.71 -1.26 -4.66 120.64 113.54 2ftu n GLU 12 Ca -0.00 -2.32 -0.40 0.00 -0.01 0.00 0.00 57.16 54.42 2ftu n GLU 12 Cb 0.63 -0.66 -0.01 0.00 -1.01 0.00 0.00 31.44 30.38 2ftu n GLU 12 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2ftu n PHE 13 N -0.19 4.16 -0.11 -0.32 3.72 -1.26 -4.64 117.46 118.81 2ftu n PHE 13 Ca 0.10 -2.60 -0.22 0.00 -0.05 0.00 0.00 57.45 54.68 2ftu n PHE 13 Cb 0.92 -2.60 -0.09 0.00 -0.94 0.00 0.00 39.48 36.77 2ftu n PHE 13 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ftu n GLU 14 N 8.09 0.56 -2.71 -1.08 -0.58 -1.26 -4.89 120.64 118.77 2ftu n GLU 14 Ca 0.49 0.38 -0.07 0.00 -0.42 0.00 0.00 57.16 57.53 2ftu n GLU 14 Cb 0.45 -1.58 0.09 0.00 -0.57 0.00 0.00 31.44 29.83 2ftu n GLU 14 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2ftu n GLU 15 N -4.38 0.83 -0.58 3.49 0.00 -1.26 -4.93 120.64 113.81 2ftu n GLU 15 Ca -0.37 -1.60 -0.17 0.00 0.00 0.00 0.00 57.16 55.02 2ftu n GLU 15 Cb 0.70 -0.65 0.15 0.00 0.00 0.00 0.00 31.44 31.64 2ftu n GLU 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2ftu n PRO 16 N 0.19 -2.32 0.10 5.31 -0.04 -1.26 -4.82 135.00 132.16 2ftu n PRO 16 Ca 0.00 -1.00 0.06 0.00 -0.04 0.00 0.00 63.50 62.52 2ftu n PRO 16 Cb 0.73 -0.95 0.32 0.00 -0.04 0.00 0.00 33.50 33.56 2ftu n PRO 16 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ftu n ARG 17 N -3.48 0.08 -0.22 0.54 0.63 -1.26 -1.59 116.66 111.36 2ftu n ARG 17 Ca 0.09 0.55 -0.07 0.00 -0.92 0.00 0.00 57.85 57.50 2ftu n ARG 17 Cb 0.34 -1.83 0.04 0.00 0.45 0.00 0.00 32.46 31.46 2ftu n ARG 17 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 2ftu h VAL 18 N 0.00 1.20 -0.42 5.15 -1.51 -1.99 -1.75 116.25 116.93 2ftu h VAL 18 Ca 0.00 -0.49 -0.08 0.00 -1.23 0.00 0.00 66.70 64.90 2ftu h VAL 18 Cb 0.15 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 2ftu h VAL 18 CO 0.00 0.21 -0.06 0.40 -1.23 0.00 0.00 177.57 176.89 2ftu h ILE 19 N 0.83 1.27 -0.41 7.19 1.08 -1.62 -1.03 117.51 124.83 2ftu h ILE 19 Ca 0.22 -1.13 0.04 0.00 -0.39 0.00 0.00 64.86 63.60 2ftu h ILE 19 Cb 0.04 1.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 2ftu h ILE 19 CO -0.04 0.38 0.17 -0.78 -0.69 0.00 0.00 178.15 177.20 2ftu h ASP 20 N 0.61 0.21 -0.72 1.72 3.58 -1.68 0.25 116.42 120.39 2ftu h ASP 20 Ca 0.11 0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.68 2ftu h ASP 20 Cb 0.57 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 2ftu h ASP 20 CO 0.03 0.16 0.48 -0.07 -2.88 0.00 0.00 179.24 176.96 2ftu h LEU 21 N 0.35 0.59 -0.38 2.28 -0.00 -0.77 -0.54 115.31 116.84 2ftu h LEU 21 Ca 0.18 0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.89 2ftu h LEU 21 Cb 0.13 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2ftu h LEU 21 CO -0.16 0.36 -0.81 -0.50 -0.00 0.00 0.00 178.44 177.33 2ftu h TRP 22 N 0.65 0.31 -0.76 1.13 6.55 -0.28 0.30 115.95 123.86 2ftu h TRP 22 Ca 0.33 -0.16 0.10 0.00 0.95 0.00 0.00 58.89 60.11 2ftu h TRP 22 Cb 0.42 -0.04 -0.07 0.00 -0.86 0.00 0.00 29.16 28.60 2ftu h TRP 22 CO -0.00 0.93 0.39 0.22 -1.05 0.00 0.00 178.44 178.93 2ftu h ASP 23 N 0.13 0.52 -0.15 -3.49 1.82 0.59 -1.98 116.42 113.86 2ftu h ASP 23 Ca -0.03 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2ftu h ASP 23 Cb 1.40 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2ftu h ASP 23 CO 0.12 0.29 0.00 0.00 -1.61 0.00 0.00 179.24 178.04 2ftu n LEU 24 N -4.83 2.93 0.00 2.28 -0.00 -0.72 -3.88 117.00 112.77 2ftu n LEU 24 Ca 0.12 -1.21 0.01 0.00 -0.00 0.00 0.00 56.01 54.94 2ftu n LEU 24 Cb 0.29 -0.09 0.32 0.00 -0.00 0.00 0.00 43.42 43.95 2ftu n LEU 24 CO 0.25 0.56 0.98 0.00 -0.00 0.00 0.00 177.39 179.18 2ftu h ALA 25 N 4.00 1.44 -0.32 1.47 0.00 0.37 -2.93 119.26 123.29 2ftu h ALA 25 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2ftu h ALA 25 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ftu h ALA 25 CO 0.00 0.40 0.60 0.37 0.00 0.00 0.00 179.25 180.63 2ftu h GLN 26 N 0.51 0.00 -0.21 0.00 4.15 -1.60 -0.73 115.11 117.23 2ftu h GLN 26 Ca 0.12 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.33 2ftu h GLN 26 Cb 0.25 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 27.64 2ftu h GLN 26 CO 0.00 0.00 -0.79 0.43 -1.93 0.00 0.00 178.83 176.55 2ftu n SER 27 N -3.21 0.37 0.15 -0.69 7.64 -1.24 -5.03 113.62 111.61 2ftu n SER 27 Ca 0.06 -2.08 -0.06 0.00 1.01 0.00 0.00 58.87 57.80 2ftu n SER 27 Cb 0.73 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 2ftu n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ftu h ALA 28 N 1.72 -1.04 0.00 -0.43 0.00 -0.93 -3.46 119.26 115.13 2ftu h ALA 28 Ca -0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2ftu h ALA 28 Cb 1.37 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2ftu h ALA 28 CO 0.02 -1.01 -0.03 -1.71 0.00 0.00 0.00 179.25 176.53 2ftu n ASN 29 N -3.11 -0.09 -1.92 0.00 2.85 -1.26 -5.09 115.26 106.63 2ftu n ASN 29 Ca -0.05 -0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 2ftu n ASN 29 Cb 0.15 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.20 2ftu n ASN 29 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2ftu n LEU 30 N 0.00 0.00 -4.80 1.20 7.99 -1.26 -5.11 117.00 115.02 2ftu n LEU 30 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.75 2ftu n LEU 30 Cb 0.23 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.50 2ftu n LEU 30 CO -0.01 -0.38 -0.17 0.42 -1.51 0.00 0.00 177.39 175.74 2ftu s THR 31 N 0.12 3.83 0.37 -5.08 -4.23 -1.26 -4.97 115.64 104.42 2ftu s THR 31 Ca 0.00 -1.51 0.23 0.00 -1.18 0.00 0.00 61.69 59.24 2ftu s THR 31 Cb 0.00 -3.20 0.24 0.00 1.34 0.00 0.00 72.50 70.88 2ftu s THR 31 CO 0.00 -0.28 1.99 0.44 -0.54 0.00 0.00 174.62 176.23 2ftu h ASP 32 N 1.48 0.00 0.05 3.99 3.32 -1.99 0.84 116.42 124.12 2ftu h ASP 32 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 2ftu h ASP 32 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2ftu h ASP 32 CO 0.60 0.18 -0.03 0.50 -1.72 0.00 0.00 179.24 178.78 2ftu h LYS 33 N 0.00 -0.07 -0.56 3.56 3.11 -1.96 -2.84 116.57 117.81 2ftu h LYS 33 Ca -0.00 0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.94 2ftu h LYS 33 Cb 0.44 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.61 2ftu h LYS 33 CO 0.02 0.49 0.15 1.49 -2.81 0.00 0.00 179.45 178.79 2ftu h GLU 34 N -0.94 0.29 0.04 1.90 4.22 -1.67 -1.26 114.58 117.17 2ftu h GLU 34 Ca -0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 2ftu h GLU 34 Cb 0.59 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ftu h GLU 34 CO 0.01 0.19 -0.03 1.25 -2.18 0.00 0.00 179.01 178.26 2ftu h LEU 35 N 0.30 -0.07 -0.47 1.64 7.12 -0.96 0.24 115.31 123.11 2ftu h LEU 35 Ca 0.29 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.39 2ftu h LEU 35 Cb 0.39 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.47 2ftu h LEU 35 CO -0.34 -0.05 0.06 -0.08 -0.13 0.00 0.00 178.44 177.90 2ftu h GLU 36 N -0.07 0.18 -0.28 1.25 4.81 -1.18 0.17 114.58 119.45 2ftu h GLU 36 Ca -0.00 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2ftu h GLU 36 Cb 0.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2ftu h GLU 36 CO -0.00 0.12 -0.56 0.00 -0.73 0.00 0.00 179.01 177.83 2ftu h ALA 37 N 1.39 0.47 -0.19 2.92 0.00 -0.53 -0.21 119.26 123.10 2ftu h ALA 37 Ca 0.24 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2ftu h ALA 37 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2ftu h ALA 37 CO -0.34 0.68 -0.02 0.35 0.00 0.00 0.00 179.25 179.93 2ftu h PHE 38 N 0.66 -0.04 -0.49 0.00 3.04 -0.30 -0.36 116.94 119.45 2ftu h PHE 38 Ca 0.01 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.02 2ftu h PHE 38 Cb 1.17 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 2ftu h PHE 38 CO 0.07 -0.05 0.24 -0.09 -2.02 0.00 0.00 178.31 176.46 2ftu h ARG 39 N 0.04 0.45 -0.12 1.11 1.12 -0.27 0.19 114.38 116.91 2ftu h ARG 39 Ca 0.09 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2ftu h ARG 39 Cb 0.12 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 29.97 2ftu h ARG 39 CO -0.16 0.30 -0.01 0.93 -3.11 0.00 0.00 179.97 177.91 2ftu h GLU 40 N 0.47 0.21 -1.01 0.20 4.39 -0.82 0.72 114.58 118.74 2ftu h GLU 40 Ca 0.22 -0.07 0.14 0.00 0.34 0.00 0.00 59.36 59.99 2ftu h GLU 40 Cb 0.14 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.69 2ftu h GLU 40 CO -0.16 0.49 0.63 0.93 -1.16 0.00 0.00 179.01 179.73 2ftu h GLU 41 N -0.08 0.89 -0.12 2.33 4.39 -0.60 -1.59 114.58 119.81 2ftu h GLU 41 Ca 0.03 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 2ftu h GLU 41 Cb 0.40 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2ftu h GLU 41 CO 0.01 0.59 -0.80 -0.07 -1.16 0.00 0.00 179.01 177.58 2ftu h LEU 42 N 0.92 0.83 -0.88 1.33 -0.00 -0.42 -0.83 115.31 116.26 2ftu h LEU 42 Ca 0.53 -0.56 0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2ftu h LEU 42 Cb 0.63 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.98 2ftu h LEU 42 CO -0.30 1.35 0.56 0.50 -0.00 0.00 0.00 178.44 180.54 2ftu h LYS 43 N 0.46 1.03 0.29 1.13 3.64 -0.23 0.23 116.57 123.12 2ftu h LYS 43 Ca -0.06 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2ftu h LYS 43 Cb 1.43 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2ftu h LYS 43 CO 0.16 0.68 -0.22 1.25 -2.27 0.00 0.00 179.45 179.06 2ftu h HIS 44 N 1.06 -0.57 0.27 1.91 2.76 -1.18 -2.00 115.15 117.41 2ftu h HIS 44 Ca 0.36 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2ftu h HIS 44 Cb 0.06 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 2ftu h HIS 44 CO -0.02 -0.33 -0.34 0.35 -1.30 0.00 0.00 177.93 176.29 2ftu h PHE 45 N -0.51 -0.91 -0.60 5.26 3.57 0.27 -0.14 116.94 123.87 2ftu h PHE 45 Ca -0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2ftu h PHE 45 Cb 0.44 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2ftu h PHE 45 CO -0.12 -0.46 0.28 1.05 -2.23 0.00 0.00 178.31 176.83 2ftu h GLU 46 N -0.66 0.88 0.03 1.11 -0.00 -0.69 0.13 114.58 115.38 2ftu h GLU 46 Ca -0.01 -0.13 0.01 0.00 -0.00 0.00 0.00 59.36 59.23 2ftu h GLU 46 Cb 0.62 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 29.20 2ftu h GLU 46 CO -0.10 0.71 -0.10 0.00 -0.00 0.00 0.00 179.01 179.52 2ftu h ALA 47 N 1.12 -0.14 -0.16 1.06 0.00 -1.10 -0.05 119.26 119.99 2ftu h ALA 47 Ca 0.21 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2ftu h ALA 47 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ftu h ALA 47 CO -0.02 -0.60 0.07 0.87 0.00 0.00 0.00 179.25 179.56 2ftu h LYS 48 N -0.19 0.15 -0.36 0.00 1.79 -0.32 -1.49 116.57 116.15 2ftu h LYS 48 Ca 0.03 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 2ftu h LYS 48 Cb 0.22 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2ftu h LYS 48 CO -0.08 0.10 -0.27 0.97 -1.08 0.00 0.00 179.45 179.08 2ftu h ILE 49 N 0.15 1.28 -0.28 1.86 6.09 -0.53 -0.75 117.51 125.34 2ftu h ILE 49 Ca 0.07 -1.40 -0.04 0.00 -1.37 0.00 0.00 64.86 62.12 2ftu h ILE 49 Cb 0.03 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.60 2ftu h ILE 49 CO -0.06 0.46 0.01 -0.33 -3.07 0.00 0.00 178.15 175.17 2ftu h GLU 50 N 0.63 0.42 -0.03 2.19 5.08 -0.80 0.41 114.58 122.48 2ftu h GLU 50 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ftu h GLU 50 Cb 0.79 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ftu h GLU 50 CO 0.06 0.44 -0.02 0.87 -1.00 0.00 0.00 179.01 179.36 2ftu h LYS 51 N 0.41 0.07 -0.53 2.33 1.57 -0.86 -0.95 116.57 118.60 2ftu h LYS 51 Ca 0.09 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 2ftu h LYS 51 Cb 0.25 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.47 2ftu h LYS 51 CO 0.01 0.52 -0.07 1.25 -0.57 0.00 0.00 179.45 180.59 2ftu h HIS 52 N -0.39 -0.16 -0.37 -1.35 -0.00 -0.52 -0.34 115.15 112.02 2ftu h HIS 52 Ca 0.00 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 2ftu h HIS 52 Cb 0.51 0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 28.00 2ftu h HIS 52 CO 0.09 -0.18 -0.12 -0.97 -0.00 0.00 0.00 177.93 176.75 2ftu h ASN 53 N 0.05 -0.43 -0.54 3.26 -0.73 -0.24 0.10 115.58 117.06 2ftu h ASN 53 Ca 0.26 0.12 0.04 0.00 1.87 0.00 0.00 56.30 58.60 2ftu h ASN 53 Cb 0.41 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.22 2ftu h ASN 53 CO -0.50 -0.15 0.29 -0.74 -0.37 0.00 0.00 177.43 175.96 2ftu h HIS 54 N -0.04 0.54 0.86 0.67 2.76 0.11 -1.44 115.15 118.60 2ftu h HIS 54 Ca 0.18 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2ftu h HIS 54 Cb 0.32 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.12 2ftu h HIS 54 CO -0.36 0.28 -0.41 1.88 -1.30 0.00 0.00 177.93 178.02 2ftu h TYR 55 N 0.57 -1.07 -0.79 5.26 -1.99 -0.07 -1.60 116.97 117.28 2ftu h TYR 55 Ca 0.23 -0.03 0.19 0.00 2.00 0.00 0.00 58.73 61.13 2ftu h TYR 55 Cb 0.11 0.35 -0.05 0.00 2.00 0.00 0.00 36.73 39.14 2ftu h TYR 55 CO -0.09 -0.66 0.54 -0.56 -0.00 0.00 0.00 178.16 177.40 2ftu h GLN 56 N -1.27 0.25 0.07 4.88 3.07 -0.69 0.18 115.11 121.60 2ftu h GLN 56 Ca -0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.60 2ftu h GLN 56 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.39 2ftu h GLN 56 CO 0.19 0.17 -0.04 -0.22 0.09 0.00 0.00 178.83 179.02 2ftu h LYS 57 N 0.26 -0.10 0.00 0.06 3.64 -1.15 -1.82 116.57 117.46 2ftu h LYS 57 Ca 0.39 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2ftu h LYS 57 Cb 1.15 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2ftu h LYS 57 CO -0.10 0.43 0.00 1.96 -2.27 0.00 0.00 179.45 179.47 2ftu h GLN 58 N -0.71 0.00 0.10 1.90 1.08 -0.42 -1.87 115.11 115.19 2ftu h GLN 58 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2ftu h GLN 58 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2ftu h GLN 58 CO 0.02 0.00 -0.05 1.25 -0.95 0.00 0.00 178.83 179.10 2ftu h LEU 59 N 0.00 -0.11 -0.05 1.46 6.46 -0.41 -0.67 115.31 121.99 2ftu h LEU 59 Ca 0.00 -0.47 0.03 0.00 -0.12 0.00 0.00 57.88 57.32 2ftu h LEU 59 Cb 0.11 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2ftu h LEU 59 CO 0.00 0.49 -0.14 -0.08 -0.62 0.00 0.00 178.44 178.09 2ftu h GLU 60 N -0.78 -0.20 -0.52 1.25 4.81 -0.97 0.18 114.58 118.35 2ftu h GLU 60 Ca -0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2ftu h GLU 60 Cb 0.57 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2ftu h GLU 60 CO 0.02 -0.13 0.24 0.82 -0.73 0.00 0.00 179.01 179.23 2ftu h ILE 61 N -0.21 0.92 -0.95 2.32 2.04 -1.45 -0.46 117.51 119.73 2ftu h ILE 61 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2ftu h ILE 61 Cb 0.29 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2ftu h ILE 61 CO -0.17 0.09 0.61 0.00 0.00 0.00 0.00 178.15 178.68 2ftu h ALA 62 N 1.30 1.21 -0.46 1.87 0.00 -0.51 -1.75 119.26 120.92 2ftu h ALA 62 Ca 0.24 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2ftu h ALA 62 Cb 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2ftu h ALA 62 CO -0.19 0.63 -0.23 1.25 0.00 0.00 0.00 179.25 180.71 2ftu h HIS 63 N 1.30 1.08 0.83 0.00 6.17 0.54 0.73 115.15 125.80 2ftu h HIS 63 Ca 0.34 -0.26 -0.04 0.00 0.71 0.00 0.00 60.37 61.12 2ftu h HIS 63 Cb -0.11 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 29.57 2ftu h HIS 63 CO -0.00 1.07 -0.46 0.93 0.71 0.00 0.00 177.93 180.18 2ftu h GLU 64 N 0.81 -1.15 0.00 5.26 4.39 -0.91 -0.07 114.58 122.92 2ftu h GLU 64 Ca 0.10 0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 2ftu h GLU 64 Cb 0.79 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2ftu h GLU 64 CO 0.07 -0.77 -0.17 1.57 -1.16 0.00 0.00 179.01 178.55 2ftu h LYS 65 N -1.19 0.00 0.66 2.33 2.10 -1.30 -1.20 116.57 117.97 2ftu h LYS 65 Ca -0.11 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 2ftu h LYS 65 Cb 0.94 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.28 2ftu h LYS 65 CO 0.14 0.17 -0.32 1.25 -2.00 0.00 0.00 179.45 178.70 2ftu h LEU 66 N 0.00 -0.75 -1.85 7.07 5.85 -0.64 -1.00 115.31 123.98 2ftu h LEU 66 Ca -0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2ftu h LEU 66 Cb 0.41 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2ftu h LEU 66 CO 0.02 -0.47 0.27 -0.09 -0.34 0.00 0.00 178.44 177.82 2ftu h ARG 67 N -1.01 0.17 -0.38 1.25 2.43 -0.69 0.49 114.38 116.64 2ftu h ARG 67 Ca -0.09 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 2ftu h ARG 67 Cb 0.68 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2ftu h ARG 67 CO 0.15 0.11 -0.18 1.25 -1.51 0.00 0.00 179.97 179.79 2ftu h HIS 68 N 0.18 0.92 0.00 2.20 2.76 -1.19 -3.22 115.15 116.79 2ftu h HIS 68 Ca 0.18 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2ftu h HIS 68 Cb 0.47 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2ftu h HIS 68 CO -0.00 0.98 -0.63 0.00 -1.30 0.00 0.00 177.93 176.98 2ftu n ALA 69 N -2.48 3.34 0.31 5.26 0.00 -0.05 -3.40 120.51 123.49 2ftu n ALA 69 Ca -0.02 -0.33 0.20 0.00 0.00 0.00 0.00 53.44 53.29 2ftu n ALA 69 Cb 0.42 -1.11 0.94 0.00 0.00 0.00 0.00 19.45 19.70 2ftu n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ftu h GLU 70 N 0.00 0.00 0.00 0.00 5.08 -0.13 -1.60 114.58 117.93 2ftu h GLU 70 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ftu h GLU 70 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2ftu h GLU 70 CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 2ftu n SER 71 N -3.08 0.00 -3.57 1.42 7.64 -1.22 -4.62 113.62 110.19 2ftu n SER 71 Ca -0.01 -1.37 -0.16 0.00 1.01 0.00 0.00 58.87 58.34 2ftu n SER 71 Cb 0.19 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 2ftu n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ftu s VAL 72 N -2.00 -0.36 0.00 0.44 0.11 -0.60 -5.09 120.40 112.90 2ftu s VAL 72 Ca 0.16 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2ftu s VAL 72 Cb 0.07 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2ftu s VAL 72 CO 0.12 -0.04 0.20 0.61 -3.33 0.00 0.00 175.10 172.66 2ftu n GLY 73 N 5.33 -0.75 4.84 6.54 0.00 -1.26 -4.59 105.19 115.30 2ftu n GLY 73 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2ftu n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ftu n ASP 74 N -1.77 0.00 0.00 1.61 -0.08 -1.26 -4.76 116.55 110.29 2ftu n ASP 74 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2ftu n ASP 74 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ftu n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ftu n GLY 75 N 0.00 1.95 0.24 0.27 0.00 -1.26 -4.58 105.19 101.81 2ftu n GLY 75 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2ftu n GLY 75 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ftu h GLU 76 N 0.00 0.19 0.32 1.61 4.57 -1.98 0.19 114.58 119.49 2ftu h GLU 76 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2ftu h GLU 76 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2ftu h GLU 76 CO 0.00 0.32 -0.16 0.00 -1.18 0.00 0.00 179.01 178.00 2ftu h ARG 77 N 0.19 -0.42 0.07 1.92 3.08 -1.92 -2.06 114.38 115.24 2ftu h ARG 77 Ca 0.04 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2ftu h ARG 77 Cb 0.33 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2ftu h ARG 77 CO 0.02 -0.14 -0.20 0.28 -1.07 0.00 0.00 179.97 178.86 2ftu h VAL 78 N -0.67 0.55 0.05 2.04 2.07 -1.37 0.78 116.25 119.69 2ftu h VAL 78 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2ftu h VAL 78 Cb 0.47 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2ftu h VAL 78 CO 0.07 0.00 -0.07 0.28 0.02 0.00 0.00 177.57 177.87 2ftu h SER 79 N -0.35 -0.20 -0.64 0.57 0.02 -0.83 -1.25 113.55 110.87 2ftu h SER 79 Ca 0.04 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2ftu h SER 79 Cb 0.39 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 2ftu h SER 79 CO -0.13 -0.08 0.42 0.03 -1.14 0.00 0.00 176.83 175.92 2ftu h ARG 80 N -0.12 0.69 0.46 3.45 3.08 -1.25 -0.48 114.38 120.21 2ftu h ARG 80 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2ftu h ARG 80 Cb 0.11 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2ftu h ARG 80 CO -0.02 0.46 -0.51 0.77 -1.07 0.00 0.00 179.97 179.59 2ftu h SER 81 N 0.71 -1.43 -0.34 7.04 0.02 -0.78 -1.63 113.55 117.15 2ftu h SER 81 Ca 0.26 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 2ftu h SER 81 Cb 0.14 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2ftu h SER 81 CO -0.07 -0.66 -0.02 -0.09 -1.14 0.00 0.00 176.83 174.84 2ftu h ARG 82 N -0.99 0.72 0.74 3.45 2.43 -0.07 0.03 114.38 120.71 2ftu h ARG 82 Ca -0.06 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2ftu h ARG 82 Cb 0.87 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2ftu h ARG 82 CO -0.09 0.75 -0.36 1.49 -1.51 0.00 0.00 179.97 180.25 2ftu h GLU 83 N 0.67 -0.96 0.00 0.20 4.81 -1.08 0.17 114.58 118.39 2ftu h GLU 83 Ca 0.13 0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2ftu h GLU 83 Cb 0.45 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2ftu h GLU 83 CO 0.02 -0.63 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.10 2ftu h LYS 84 N -1.02 0.00 0.19 1.92 1.63 -1.23 -1.93 116.57 116.12 2ftu h LYS 84 Ca -0.10 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 2ftu h LYS 84 Cb 0.77 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 2ftu h LYS 84 CO 0.17 0.35 -0.09 1.25 -3.45 0.00 0.00 179.45 177.67 2ftu h HIS 85 N 0.00 -0.23 -0.66 1.91 2.76 -0.62 0.38 115.15 118.68 2ftu h HIS 85 Ca -0.00 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2ftu h HIS 85 Cb 0.95 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 2ftu h HIS 85 CO 0.00 -0.02 0.43 0.00 -1.30 0.00 0.00 177.93 177.04 2ftu h ALA 86 N 0.38 0.85 0.17 5.26 0.00 -0.79 0.12 119.26 125.25 2ftu h ALA 86 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2ftu h ALA 86 Cb 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2ftu h ALA 86 CO 0.04 0.24 -0.39 1.25 0.00 0.00 0.00 179.25 180.40 2ftu h LEU 87 N 0.87 -1.11 -0.10 0.00 5.85 -1.30 -1.11 115.31 118.41 2ftu h LEU 87 Ca 0.25 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2ftu h LEU 87 Cb -0.07 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2ftu h LEU 87 CO -0.07 -0.48 0.07 -0.07 -0.34 0.00 0.00 178.44 177.55 2ftu h LEU 88 N -0.65 0.12 -0.62 2.25 4.07 -0.12 -1.56 115.31 118.80 2ftu h LEU 88 Ca 0.01 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.04 2ftu h LEU 88 Cb 0.66 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.30 2ftu h LEU 88 CO -0.19 0.11 0.27 -0.33 -1.08 0.00 0.00 178.44 177.21 2ftu h GLU 89 N 0.13 0.46 -0.35 1.13 4.39 -1.03 0.01 114.58 119.31 2ftu h GLU 89 Ca 0.04 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.79 2ftu h GLU 89 Cb 0.00 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.47 2ftu h GLU 89 CO -0.01 0.31 -0.16 0.78 -1.16 0.00 0.00 179.01 178.77 2ftu h GLY 90 N 0.48 0.12 1.00 -3.84 0.00 -0.45 -0.60 103.07 99.77 2ftu h GLY 90 Ca 0.30 0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.68 2ftu h GLY 90 CO -0.27 -0.18 -0.47 -0.09 0.00 0.00 0.00 176.54 175.53 2ftu h ARG 91 N -0.10 0.68 -0.45 4.80 1.12 -0.35 -1.75 114.38 118.34 2ftu h ARG 91 Ca 0.18 -0.46 0.03 0.00 -1.11 0.00 0.00 59.98 58.62 2ftu h ARG 91 Cb 0.37 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.36 2ftu h ARG 91 CO -0.42 1.08 0.25 1.79 -3.11 0.00 0.00 179.97 179.56 2ftu h THR 92 N 0.38 1.01 0.30 0.20 1.35 -0.84 -0.23 112.91 115.08 2ftu h THR 92 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2ftu h THR 92 Cb 1.08 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.94 2ftu h THR 92 CO 0.10 0.09 -0.42 0.11 -0.25 0.00 0.00 175.52 175.16 2ftu h LYS 93 N 0.49 -0.74 -0.85 4.72 1.57 -1.11 0.11 116.57 120.77 2ftu h LYS 93 Ca 0.19 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2ftu h LYS 93 Cb 0.05 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2ftu h LYS 93 CO -0.11 -0.49 0.55 0.93 -0.57 0.00 0.00 179.45 179.76 2ftu h GLU 94 N -0.77 0.83 0.15 3.15 5.08 -1.05 -1.68 114.58 120.30 2ftu h GLU 94 Ca -0.01 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 58.01 2ftu h GLU 94 Cb 0.72 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.80 2ftu h GLU 94 CO -0.14 0.55 -1.28 1.25 -1.00 0.00 0.00 179.01 178.39 2ftu h LEU 95 N 0.85 0.58 -0.81 1.33 7.12 -0.53 0.05 115.31 123.91 2ftu h LEU 95 Ca 0.38 -0.60 0.02 0.00 0.13 0.00 0.00 57.88 57.81 2ftu h LEU 95 Cb 0.36 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.26 2ftu h LEU 95 CO -0.15 1.46 0.53 1.23 -0.13 0.00 0.00 178.44 181.38 2ftu h GLY 96 N 1.08 1.15 0.58 3.75 0.00 -0.74 0.20 103.07 109.09 2ftu h GLY 96 Ca -0.17 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.79 2ftu h GLY 96 CO 0.22 0.39 -0.05 -1.82 0.00 0.00 0.00 176.54 175.29 2ftu h TYR 97 N 1.07 -0.10 -0.31 5.60 3.20 -1.19 -0.54 116.97 124.70 2ftu h TYR 97 Ca 0.31 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2ftu h TYR 97 Cb -0.09 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2ftu h TYR 97 CO -0.02 -0.09 0.14 1.15 -1.64 0.00 0.00 178.16 177.71 2ftu h THR 98 N 0.01 1.16 -0.29 1.81 2.02 -0.16 -1.11 112.91 116.34 2ftu h THR 98 Ca 0.10 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.87 2ftu h THR 98 Cb 0.15 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 2ftu h THR 98 CO -0.22 0.17 -0.05 0.58 0.37 0.00 0.00 175.52 176.37 2ftu h VAL 99 N 0.36 0.74 -0.88 3.16 2.07 -0.50 -0.62 116.25 120.57 2ftu h VAL 99 Ca 0.10 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.64 2ftu h VAL 99 Cb 0.13 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2ftu h VAL 99 CO -0.01 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.66 2ftu h LYS 100 N 0.03 1.12 0.71 1.57 3.11 -0.54 0.29 116.57 122.86 2ftu h LYS 100 Ca 0.14 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 2ftu h LYS 100 Cb 0.20 -0.25 0.01 0.00 -1.00 0.00 0.00 32.23 31.19 2ftu h LYS 100 CO -0.27 0.74 -0.34 0.87 -2.81 0.00 0.00 179.45 177.64 2ftu h LYS 101 N 1.15 -0.92 -0.30 1.90 1.79 -0.78 -1.59 116.57 117.83 2ftu h LYS 101 Ca 0.34 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.92 2ftu h LYS 101 Cb -0.07 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2ftu h LYS 101 CO -0.09 -0.61 0.21 1.12 -1.08 0.00 0.00 179.45 178.99 2ftu h HIS 102 N -1.10 0.18 -0.37 -1.35 2.07 -0.99 -0.80 115.15 112.79 2ftu h HIS 102 Ca -0.10 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.36 2ftu h HIS 102 Cb 0.73 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 2ftu h HIS 102 CO 0.03 0.10 -0.04 -0.07 -3.07 0.00 0.00 177.93 174.88 2ftu h LEU 103 N 0.18 0.68 -1.39 6.12 3.38 -0.32 0.38 115.31 124.33 2ftu h LEU 103 Ca 0.13 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2ftu h LEU 103 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2ftu h LEU 103 CO -0.02 0.85 -0.17 -0.61 0.09 0.00 0.00 178.44 178.57 2ftu h GLN 104 N 0.49 0.19 0.07 1.13 4.15 -0.15 0.17 115.11 121.16 2ftu h GLN 104 Ca 0.10 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 2ftu h GLN 104 Cb 0.52 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2ftu h GLN 104 CO 0.03 0.37 -0.04 0.22 -1.93 0.00 0.00 178.83 177.48 2ftu h ASP 105 N 0.18 -0.09 -0.71 -0.69 3.58 -0.66 -0.02 116.42 118.01 2ftu h ASP 105 Ca 0.03 -0.50 0.09 0.00 0.42 0.00 0.00 57.03 57.08 2ftu h ASP 105 Cb 0.42 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 2ftu h ASP 105 CO 0.03 0.59 0.36 -0.07 -2.88 0.00 0.00 179.24 177.27 2ftu h LEU 106 N -0.91 0.48 0.00 2.28 3.38 -0.32 -1.17 115.31 119.05 2ftu h LEU 106 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ftu h LEU 106 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ftu h LEU 106 CO 0.02 0.28 -0.08 -1.28 0.09 0.00 0.00 178.44 177.46 2ftu h SER 107 N 0.62 0.00 -0.67 -0.43 0.87 -0.74 0.27 113.55 113.47 2ftu h SER 107 Ca 0.35 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.98 2ftu h SER 107 Cb 0.35 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 2ftu h SER 107 CO -0.26 0.00 0.34 1.23 -0.53 0.00 0.00 176.83 177.62 2ftu h GLY 108 N 4.04 0.98 0.00 5.77 0.00 0.15 -1.26 103.07 112.75 2ftu h GLY 108 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2ftu h GLY 108 CO 0.00 0.10 0.00 0.54 0.00 0.00 0.00 176.54 177.18 2ftu n ARG 109 N -4.84 0.00 0.31 4.80 3.00 -0.58 -4.21 116.66 115.13 2ftu n ARG 109 Ca 0.09 0.11 0.19 0.00 -0.01 0.00 0.00 57.85 58.23 2ftu n ARG 109 Cb 0.22 -1.01 0.97 0.00 0.00 0.00 0.00 32.46 32.63 2ftu n ARG 109 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2ftu h ILE 110 N 0.00 0.14 0.00 0.55 1.08 -0.52 0.43 117.51 119.19 2ftu h ILE 110 Ca 0.00 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2ftu h ILE 110 Cb 0.00 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2ftu h ILE 110 CO 0.00 0.02 0.00 -0.24 -0.69 0.00 0.00 178.15 177.24 2ftu n SER 111 N -3.24 0.00 0.16 1.72 2.88 -0.48 -4.23 113.62 110.44 2ftu n SER 111 Ca -0.02 0.86 -0.14 0.00 -1.33 0.00 0.00 58.87 58.24 2ftu n SER 111 Cb 0.17 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.07 2ftu n SER 111 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2ftu h ARG 112 N 0.00 -0.35 -4.36 -1.46 9.65 -1.65 -3.48 114.38 112.73 2ftu h ARG 112 Ca 0.00 0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.61 2ftu h ARG 112 Cb 0.00 0.08 0.09 0.00 -1.39 0.00 0.00 29.97 28.75 2ftu h ARG 112 CO 0.00 -0.13 -0.49 0.00 2.80 0.00 0.00 179.97 182.15 2ftu n ALA 113 N -2.33 -0.92 -2.28 2.80 0.00 0.15 -5.06 120.51 112.88 2ftu n ALA 113 Ca -0.10 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 2ftu n ALA 113 Cb 0.21 -4.00 -0.09 0.00 0.00 0.00 0.00 19.45 15.57 2ftu n ALA 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ftu s ARG 114 N -5.88 1.33 0.52 0.00 0.52 -1.26 -4.78 118.95 109.39 2ftu s ARG 114 Ca 0.40 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 2ftu s ARG 114 Cb -0.18 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.59 2ftu s ARG 114 CO 0.49 -0.46 0.00 1.58 0.02 0.00 0.00 175.30 176.94 2ftu n HIS 115 N -0.34 0.00 -3.52 -0.53 -0.00 -1.26 -4.70 115.22 104.87 2ftu n HIS 115 Ca 0.03 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.79 2ftu n HIS 115 Cb 0.65 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.42 2ftu n HIS 115 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2ftu s ASN 116 N -4.00 5.91 0.00 0.26 3.04 -1.26 -4.11 114.94 114.78 2ftu s ASN 116 Ca 0.00 -1.10 0.00 0.00 0.04 0.00 0.00 52.86 51.80 2ftu s ASN 116 Cb 0.00 -2.09 0.00 0.00 -1.54 0.00 0.00 41.25 37.62 2ftu s ASN 116 CO 0.00 -0.47 0.00 -0.62 -3.04 0.00 0.00 177.10 172.97 2ftu n GLU 117 N 5.07 0.00 0.00 0.43 4.71 -1.26 -5.08 120.64 124.51 2ftu n GLU 117 Ca -0.11 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.19 2ftu n GLU 117 Cb 0.45 0.00 0.89 0.00 -1.01 0.00 0.00 31.44 31.78 2ftu n GLU 117 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50