#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftu s VAL 2 N 0.00 0.64 0.46 8.89 1.01 -1.26 -5.03 120.40 125.11 2ftu s VAL 2 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.10 2ftu s VAL 2 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2ftu s VAL 2 CO 0.00 -0.90 0.00 -0.24 0.00 0.00 0.00 175.10 173.96 2ftu n SER 3 N 4.07 -7.68 0.00 3.32 2.88 -1.26 -4.30 113.62 110.65 2ftu n SER 3 Ca 0.08 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2ftu n SER 3 Cb 0.37 -4.44 0.00 0.00 -0.75 0.00 0.00 64.21 59.39 2ftu n SER 3 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2ftu n HIS 4 N -4.10 0.00 0.08 0.66 -0.00 -1.26 -4.99 115.22 105.61 2ftu n HIS 4 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2ftu n HIS 4 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 2ftu n HIS 4 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2ftu n GLN 5 N 0.00 0.00 0.00 1.57 6.02 -1.26 -5.07 117.38 118.64 2ftu n GLN 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ftu n GLN 5 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2ftu n GLN 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ftu n GLY 6 N -1.26 1.79 3.31 1.08 0.00 -1.26 -5.20 105.19 103.65 2ftu n GLY 6 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2ftu n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ftu s TYR 7 N 0.00 1.24 0.41 1.61 2.02 -1.26 -5.13 117.35 116.24 2ftu s TYR 7 Ca 0.00 -1.38 0.00 0.00 -0.37 0.00 0.00 57.07 55.32 2ftu s TYR 7 Cb 0.00 -0.46 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 2ftu s TYR 7 CO 0.00 -0.82 0.00 0.45 -1.57 0.00 0.00 175.55 173.61 2ftu n SER 8 N -0.84 -8.22 0.21 2.29 2.88 -1.26 -3.86 113.62 104.82 2ftu n SER 8 Ca 0.03 0.82 0.10 0.00 -1.33 0.00 0.00 58.87 58.49 2ftu n SER 8 Cb 0.64 -4.33 0.32 0.00 -0.75 0.00 0.00 64.21 60.08 2ftu n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ftu h THR 9 N -1.30 0.34 -1.54 2.46 1.03 -2.00 -3.43 112.91 108.48 2ftu h THR 9 Ca -0.04 -1.21 0.04 0.00 -0.01 0.00 0.00 66.41 65.20 2ftu h THR 9 Cb 1.28 1.93 -0.22 0.00 -1.07 0.00 0.00 68.15 70.07 2ftu h THR 9 CO 0.03 0.17 -0.26 -0.70 -0.01 0.00 0.00 175.52 174.75 2ftu s GLU 10 N -3.37 0.53 -0.48 0.00 2.12 -1.26 -5.09 118.70 111.15 2ftu s GLU 10 Ca 0.03 1.09 0.06 0.00 0.36 0.00 0.00 54.97 56.52 2ftu s GLU 10 Cb 0.08 0.51 0.20 0.00 0.26 0.00 0.00 34.13 35.18 2ftu s GLU 10 CO 0.65 -0.46 0.65 0.00 -0.54 0.00 0.00 175.26 175.56 2ftu n ALA 11 N 5.43 -0.38 -0.66 6.30 0.00 -1.25 -4.94 120.51 125.01 2ftu n ALA 11 Ca -0.05 -1.75 -0.10 0.00 0.00 0.00 0.00 53.44 51.54 2ftu n ALA 11 Cb 0.50 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.91 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 2.61 2.76 0.00 0.00 4.71 -1.26 -4.73 120.64 124.72 2ftu n GLU 12 Ca 0.20 -2.41 0.00 0.00 -0.01 0.00 0.00 57.16 54.94 2ftu n GLU 12 Cb 0.55 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 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 -0.32 0.00 -3.08 -0.32 3.72 -1.26 -4.91 117.46 111.29 2ftu n PHE 13 Ca 0.38 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.66 2ftu n PHE 13 Cb 1.27 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.86 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 0.00 -1.95 -3.67 -1.08 1.02 -1.26 -3.39 120.64 110.31 2ftu n GLU 14 Ca 0.00 0.88 -0.24 0.00 -0.02 0.00 0.00 57.16 57.77 2ftu n GLU 14 Cb 0.00 -5.47 0.01 0.00 -0.02 0.00 0.00 31.44 25.96 2ftu n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ftu n GLU 15 N -2.90 -0.78 -0.50 3.49 1.02 -1.26 -4.46 120.64 115.25 2ftu n GLU 15 Ca -0.06 0.20 -0.05 0.00 -0.02 0.00 0.00 57.16 57.24 2ftu n GLU 15 Cb 0.60 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.61 2ftu n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2ftu n PRO 16 N -2.82 -0.05 0.31 3.49 -0.04 -1.22 -4.83 135.00 129.85 2ftu n PRO 16 Ca -0.15 -0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.02 2ftu n PRO 16 Cb 0.43 -0.21 0.61 0.00 -0.04 0.00 0.00 33.50 34.29 2ftu n PRO 16 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2ftu h ARG 17 N 0.00 0.00 -0.85 0.54 0.11 -1.94 -0.41 114.38 111.83 2ftu h ARG 17 Ca -0.07 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.02 2ftu h ARG 17 Cb 0.21 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.25 2ftu h ARG 17 CO 0.06 0.00 0.56 -0.39 0.10 0.00 0.00 179.97 180.29 2ftu h VAL 18 N 0.00 1.21 -0.23 0.08 -1.51 -1.99 -1.24 116.25 112.57 2ftu h VAL 18 Ca 0.00 -0.39 -0.10 0.00 -1.23 0.00 0.00 66.70 64.98 2ftu h VAL 18 Cb 0.91 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 2ftu h VAL 18 CO 0.00 0.21 -0.30 0.40 -1.23 0.00 0.00 177.57 176.64 2ftu h ILE 19 N 1.13 1.28 -0.68 7.19 1.08 -1.38 -1.65 117.51 124.48 2ftu h ILE 19 Ca 0.31 -1.36 -0.07 0.00 -0.39 0.00 0.00 64.86 63.36 2ftu h ILE 19 Cb -0.12 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 2ftu h ILE 19 CO -0.07 0.43 0.16 -0.78 -0.69 0.00 0.00 178.15 177.19 2ftu h ASP 20 N 0.39 1.02 -0.32 1.72 1.82 -1.56 0.23 116.42 119.72 2ftu h ASP 20 Ca 0.05 -0.21 0.06 0.00 -0.39 0.00 0.00 57.03 56.53 2ftu h ASP 20 Cb 0.73 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.42 2ftu h ASP 20 CO 0.06 0.98 -0.01 0.25 -1.61 0.00 0.00 179.24 178.91 2ftu h LEU 21 N 1.03 -0.15 -0.83 2.28 5.85 -0.45 -0.60 115.31 122.44 2ftu h LEU 21 Ca 0.21 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2ftu h LEU 21 Cb 0.37 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2ftu h LEU 21 CO 0.00 -0.04 0.52 -0.50 -0.34 0.00 0.00 178.44 178.09 2ftu h TRP 22 N 0.08 0.97 -0.33 1.25 -0.00 -0.90 -1.35 115.95 115.69 2ftu h TRP 22 Ca 0.16 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 59.12 2ftu h TRP 22 Cb 0.21 -0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 29.01 2ftu h TRP 22 CO -0.24 0.53 0.06 0.22 -0.00 0.00 0.00 178.44 179.01 2ftu h ASP 23 N 0.99 -0.01 1.32 -3.49 1.82 0.53 -1.98 116.42 115.60 2ftu h ASP 23 Ca 0.34 0.06 -0.13 0.00 -0.39 0.00 0.00 57.03 56.91 2ftu h ASP 23 Cb 0.08 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 2ftu h ASP 23 CO -0.14 0.03 -0.70 -0.07 -1.61 0.00 0.00 179.24 176.76 2ftu h LEU 24 N 0.17 0.00 -1.43 2.28 4.07 -1.22 -3.19 115.31 115.98 2ftu h LEU 24 Ca 0.15 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.32 2ftu h LEU 24 Cb 0.18 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.84 2ftu h LEU 24 CO -0.21 0.59 0.61 0.00 -1.08 0.00 0.00 178.44 178.35 2ftu h ALA 25 N 1.41 2.14 0.00 1.53 0.00 -0.48 -0.20 119.26 123.66 2ftu h ALA 25 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ftu h ALA 25 Cb 1.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2ftu h ALA 25 CO 0.07 -0.45 0.36 0.37 0.00 0.00 0.00 179.25 179.61 2ftu h GLN 26 N 0.46 0.00 -0.13 0.00 4.15 -1.47 -1.97 115.11 116.14 2ftu h GLN 26 Ca 0.49 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.73 2ftu h GLN 26 Cb 1.16 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.59 2ftu h GLN 26 CO -0.21 0.00 -0.66 0.43 -1.93 0.00 0.00 178.83 176.46 2ftu n SER 27 N -2.73 -0.04 0.00 -0.69 7.64 -0.79 -5.06 113.62 111.95 2ftu n SER 27 Ca -0.02 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.78 2ftu n SER 27 Cb 0.40 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2ftu n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ftu n ALA 28 N -0.64 -0.07 -2.71 -0.43 0.00 -0.16 -4.87 120.51 111.64 2ftu n ALA 28 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 2ftu n ALA 28 Cb 0.87 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.40 2ftu n ALA 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ftu n ASN 29 N -0.86 -2.05 0.00 0.00 5.15 -1.26 -5.07 115.26 111.17 2ftu n ASN 29 Ca 0.00 -2.86 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 2ftu n ASN 29 Cb 0.00 1.53 0.00 0.00 -0.53 0.00 0.00 39.78 40.78 2ftu n ASN 29 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2ftu n LEU 30 N 0.90 0.00 -3.70 1.20 4.32 -1.26 -5.06 117.00 113.40 2ftu n LEU 30 Ca 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.92 2ftu n LEU 30 Cb 0.70 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.44 2ftu n LEU 30 CO -0.02 0.00 0.09 0.42 -1.22 0.00 0.00 177.39 176.66 2ftu s THR 31 N 4.35 0.09 0.05 -5.08 -4.23 -1.26 -5.03 115.64 104.52 2ftu s THR 31 Ca 0.00 -0.70 -0.26 0.00 -1.18 0.00 0.00 61.69 59.54 2ftu s THR 31 Cb 0.00 -1.15 -0.17 0.00 1.34 0.00 0.00 72.50 72.52 2ftu s THR 31 CO 0.00 -0.39 1.49 0.44 -0.54 0.00 0.00 174.62 175.62 2ftu h ASP 32 N 2.63 -0.31 -0.02 3.99 3.32 -1.98 0.21 116.42 124.25 2ftu h ASP 32 Ca -0.33 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.43 2ftu h ASP 32 Cb 1.23 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2ftu h ASP 32 CO 0.48 -0.08 -0.62 0.11 -1.72 0.00 0.00 179.24 177.41 2ftu h LYS 33 N -0.53 0.63 0.05 3.56 1.57 -1.99 -2.01 116.57 117.85 2ftu h LYS 33 Ca -0.04 -0.44 0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2ftu h LYS 33 Cb 0.39 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 2ftu h LYS 33 CO 0.06 1.06 -0.32 1.49 -0.57 0.00 0.00 179.45 181.17 2ftu h GLU 34 N 0.47 -0.48 -0.59 3.15 4.22 -1.87 -1.30 114.58 118.17 2ftu h GLU 34 Ca -0.01 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2ftu h GLU 34 Cb 1.20 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2ftu h GLU 34 CO 0.12 -0.32 0.39 1.25 -2.18 0.00 0.00 179.01 178.27 2ftu h LEU 35 N -0.50 0.69 -0.59 1.64 7.12 -0.39 0.18 115.31 123.45 2ftu h LEU 35 Ca 0.05 -0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 2ftu h LEU 35 Cb 0.56 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2ftu h LEU 35 CO -0.23 0.51 -0.11 -0.08 -0.13 0.00 0.00 178.44 178.39 2ftu h GLU 36 N 0.80 1.00 0.08 1.25 4.81 -1.26 0.32 114.58 121.58 2ftu h GLU 36 Ca 0.22 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2ftu h GLU 36 Cb -0.08 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2ftu h GLU 36 CO -0.05 1.05 -0.04 0.00 -0.73 0.00 0.00 179.01 179.24 2ftu h ALA 37 N 0.97 -0.11 -0.78 2.92 0.00 -0.23 -1.83 119.26 120.20 2ftu h ALA 37 Ca 0.14 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2ftu h ALA 37 Cb 0.67 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2ftu h ALA 37 CO 0.05 -0.49 0.48 0.35 0.00 0.00 0.00 179.25 179.64 2ftu h PHE 38 N -0.26 0.88 -0.44 0.00 3.04 -0.64 -1.31 116.94 118.20 2ftu h PHE 38 Ca -0.01 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.00 2ftu h PHE 38 Cb 0.22 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.41 2ftu h PHE 38 CO -0.02 0.46 0.24 -0.09 -2.02 0.00 0.00 178.31 176.87 2ftu h ARG 39 N 0.89 0.46 0.38 1.11 1.12 0.16 0.37 114.38 118.86 2ftu h ARG 39 Ca 0.34 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.16 2ftu h ARG 39 Cb 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 2ftu h ARG 39 CO -0.16 0.30 -0.18 0.93 -3.11 0.00 0.00 179.97 177.75 2ftu h GLU 40 N 0.47 -0.49 -0.27 0.20 4.39 -1.15 -0.55 114.58 117.18 2ftu h GLU 40 Ca 0.19 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.96 2ftu h GLU 40 Cb 0.07 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2ftu h GLU 40 CO -0.12 -0.18 0.18 1.05 -1.16 0.00 0.00 179.01 178.79 2ftu h GLU 41 N -0.82 0.19 -0.19 2.33 4.11 -0.70 -1.11 114.58 118.39 2ftu h GLU 41 Ca -0.05 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.22 2ftu h GLU 41 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ftu h GLU 41 CO 0.08 0.12 -0.46 -0.07 0.07 0.00 0.00 179.01 178.76 2ftu h LEU 42 N 0.19 0.72 -1.36 3.06 -0.00 -0.29 -0.04 115.31 117.60 2ftu h LEU 42 Ca 0.12 -0.57 0.02 0.00 -0.00 0.00 0.00 57.88 57.44 2ftu h LEU 42 Cb 0.22 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 2ftu h LEU 42 CO -0.02 1.16 0.45 0.50 -0.00 0.00 0.00 178.44 180.53 2ftu h LYS 43 N 0.32 0.85 -0.51 1.13 3.64 0.09 0.28 116.57 122.36 2ftu h LYS 43 Ca -0.00 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 2ftu h LYS 43 Cb 1.07 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2ftu h LYS 43 CO 0.10 0.56 -0.15 0.45 -2.27 0.00 0.00 179.45 178.14 2ftu h HIS 44 N 0.87 1.14 0.76 1.91 3.86 -1.20 -1.98 115.15 120.51 2ftu h HIS 44 Ca 0.26 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2ftu h HIS 44 Cb -0.03 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 28.17 2ftu h HIS 44 CO -0.00 1.08 -0.36 0.35 0.86 0.00 0.00 177.93 179.86 2ftu h PHE 45 N 0.88 -0.94 -0.55 2.45 3.04 0.87 -1.35 116.94 121.33 2ftu h PHE 45 Ca 0.13 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.06 2ftu h PHE 45 Cb 0.73 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 2ftu h PHE 45 CO 0.05 -0.58 0.37 1.05 -2.02 0.00 0.00 178.31 177.18 2ftu h GLU 46 N -1.06 0.72 -0.86 1.11 -0.00 -0.64 -1.37 114.58 112.49 2ftu h GLU 46 Ca -0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.22 2ftu h GLU 46 Cb 0.79 -0.16 -0.04 0.00 -0.00 0.00 0.00 28.75 29.33 2ftu h GLU 46 CO 0.17 0.48 0.55 0.00 -0.00 0.00 0.00 179.01 180.21 2ftu h ALA 47 N 1.20 1.10 0.54 1.06 0.00 -1.33 -0.62 119.26 121.21 2ftu h ALA 47 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2ftu h ALA 47 Cb -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.36 2ftu h ALA 47 CO -0.05 0.53 -0.28 0.87 0.00 0.00 0.00 179.25 180.32 2ftu h LYS 48 N 1.18 -0.73 -0.47 0.00 6.56 -0.37 -1.18 116.57 121.56 2ftu h LYS 48 Ca 0.31 0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.94 2ftu h LYS 48 Cb -0.10 0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 2ftu h LYS 48 CO -0.06 -0.49 0.22 0.97 -2.06 0.00 0.00 179.45 178.02 2ftu h ILE 49 N -0.76 1.17 -0.14 1.86 6.09 -1.15 -1.10 117.51 123.48 2ftu h ILE 49 Ca -0.07 -0.48 -0.08 0.00 -1.37 0.00 0.00 64.86 62.86 2ftu h ILE 49 Cb 0.60 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 2ftu h ILE 49 CO 0.11 0.20 -0.26 -0.08 -3.07 0.00 0.00 178.15 175.04 2ftu h GLU 50 N 0.67 0.26 -0.00 2.19 4.81 -0.91 -0.12 114.58 121.48 2ftu h GLU 50 Ca 0.17 -0.09 -0.20 0.00 -0.13 0.00 0.00 59.36 59.11 2ftu h GLU 50 Cb 0.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2ftu h GLU 50 CO -0.02 0.51 -0.87 0.87 -0.73 0.00 0.00 179.01 178.77 2ftu h LYS 51 N 0.24 0.26 0.31 1.92 1.79 -0.26 0.99 116.57 121.81 2ftu h LYS 51 Ca 0.04 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2ftu h LYS 51 Cb 0.59 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 2ftu h LYS 51 CO 0.04 0.98 -0.44 1.25 -1.08 0.00 0.00 179.45 180.21 2ftu h HIS 52 N 0.15 -1.21 -0.77 -1.35 -0.00 -0.90 -1.76 115.15 109.31 2ftu h HIS 52 Ca -0.05 0.02 0.17 0.00 -0.00 0.00 0.00 60.37 60.51 2ftu h HIS 52 Cb 1.50 0.49 -0.14 0.00 -0.00 0.00 0.00 27.41 29.26 2ftu h HIS 52 CO 0.04 -0.57 -0.05 -0.97 -0.00 0.00 0.00 177.93 176.38 2ftu h ASN 53 N -0.80 -0.46 -0.28 3.26 -1.24 -0.92 0.12 115.58 115.26 2ftu h ASN 53 Ca -0.02 0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 2ftu h ASN 53 Cb 0.74 0.39 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 2ftu h ASN 53 CO -0.14 -0.21 0.14 -0.74 -1.29 0.00 0.00 177.43 175.19 2ftu h HIS 54 N 0.07 0.40 0.23 0.67 2.76 -0.57 -1.52 115.15 117.18 2ftu h HIS 54 Ca 0.41 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 2ftu h HIS 54 Cb 0.71 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.54 2ftu h HIS 54 CO -0.48 0.35 -0.11 1.88 -1.30 0.00 0.00 177.93 178.27 2ftu h TYR 55 N 0.33 -0.28 -0.82 5.26 -1.99 -0.33 -1.96 116.97 117.17 2ftu h TYR 55 Ca 0.10 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.85 2ftu h TYR 55 Cb 0.09 0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 2ftu h TYR 55 CO -0.03 -0.02 0.54 -0.56 -0.00 0.00 0.00 178.16 178.10 2ftu h GLN 56 N -0.53 1.03 0.54 4.88 -0.00 -0.74 0.21 115.11 120.50 2ftu h GLN 56 Ca -0.03 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.53 2ftu h GLN 56 Cb 0.39 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.48 27.64 2ftu h GLN 56 CO 0.05 0.68 -0.30 -0.22 -0.00 0.00 0.00 178.83 179.04 2ftu h LYS 57 N 1.06 -0.76 -0.83 0.06 3.64 -1.25 -0.39 116.57 118.09 2ftu h LYS 57 Ca 0.32 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.90 2ftu h LYS 57 Cb -0.03 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 2ftu h LYS 57 CO -0.08 -0.50 0.55 1.96 -2.27 0.00 0.00 179.45 179.10 2ftu h GLN 58 N -0.79 0.51 0.54 1.90 1.08 -0.61 -1.97 115.11 115.78 2ftu h GLN 58 Ca -0.07 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 2ftu h GLN 58 Cb 0.62 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2ftu h GLN 58 CO 0.09 0.34 -0.26 1.25 -0.95 0.00 0.00 178.83 179.30 2ftu h LEU 59 N 0.53 -0.62 -0.44 1.46 6.46 0.35 0.86 115.31 123.91 2ftu h LEU 59 Ca 0.42 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.13 2ftu h LEU 59 Cb 0.84 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 2ftu h LEU 59 CO -0.16 -0.32 0.27 -0.33 -0.62 0.00 0.00 178.44 177.28 2ftu h GLU 60 N -0.91 0.59 -0.28 1.25 4.39 -0.81 0.32 114.58 119.14 2ftu h GLU 60 Ca -0.07 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2ftu h GLU 60 Cb 0.62 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2ftu h GLU 60 CO 0.12 0.43 0.11 0.82 -1.16 0.00 0.00 179.01 179.33 2ftu h ILE 61 N 0.59 1.18 0.00 3.13 2.04 -1.39 -1.41 117.51 121.65 2ftu h ILE 61 Ca 0.16 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 2ftu h ILE 61 Cb -0.02 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2ftu h ILE 61 CO -0.03 0.19 -0.10 0.00 0.00 0.00 0.00 178.15 178.20 2ftu h ALA 62 N 0.95 1.72 -0.13 1.87 0.00 -0.38 -1.92 119.26 121.38 2ftu h ALA 62 Ca 0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2ftu h ALA 62 Cb 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ftu h ALA 62 CO -0.01 0.13 -0.82 1.25 0.00 0.00 0.00 179.25 179.80 2ftu h HIS 63 N 0.00 1.07 0.06 0.00 -0.00 0.45 0.11 115.15 116.84 2ftu h HIS 63 Ca -0.00 -0.49 0.02 0.00 -0.00 0.00 0.00 60.37 59.90 2ftu h HIS 63 Cb 0.19 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 2ftu h HIS 63 CO 0.00 1.33 -0.19 0.93 -0.00 0.00 0.00 177.93 180.00 2ftu h GLU 64 N 0.52 -0.33 -0.79 5.26 5.08 -0.99 -0.12 114.58 123.21 2ftu h GLU 64 Ca -0.07 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2ftu h GLU 64 Cb 1.46 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.74 2ftu h GLU 64 CO 0.17 -0.22 0.51 -0.22 -1.00 0.00 0.00 179.01 178.25 2ftu h LYS 65 N -0.34 0.97 0.60 2.33 3.11 -1.24 -1.50 116.57 120.51 2ftu h LYS 65 Ca 0.04 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 2ftu h LYS 65 Cb 0.38 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 2ftu h LYS 65 CO -0.13 0.64 -0.51 1.25 -2.81 0.00 0.00 179.45 177.89 2ftu h LEU 66 N 1.00 -1.37 -1.16 5.20 5.85 -0.59 -0.81 115.31 123.43 2ftu h LEU 66 Ca 0.31 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.25 2ftu h LEU 66 Cb -0.02 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2ftu h LEU 66 CO -0.10 -0.71 0.60 0.03 -0.34 0.00 0.00 178.44 177.92 2ftu h ARG 67 N -1.09 0.82 -0.62 1.25 3.08 -0.61 0.17 114.38 117.39 2ftu h ARG 67 Ca -0.08 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 2ftu h ARG 67 Cb 0.92 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2ftu h ARG 67 CO -0.01 0.54 0.01 1.25 -1.07 0.00 0.00 179.97 180.69 2ftu h HIS 68 N 0.85 1.19 0.00 3.04 2.76 -1.07 -3.19 115.15 118.72 2ftu h HIS 68 Ca 0.46 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2ftu h HIS 68 Cb 0.57 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2ftu h HIS 68 CO -0.00 1.04 -0.45 0.00 -1.30 0.00 0.00 177.93 177.21 2ftu h ALA 69 N 0.99 0.79 0.00 5.26 0.00 0.44 -3.21 119.26 123.53 2ftu h ALA 69 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ftu h ALA 69 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ftu h ALA 69 CO 0.03 0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.37 2ftu h GLU 70 N 0.00 0.00 0.00 0.00 5.08 -0.73 -1.21 114.58 117.72 2ftu h GLU 70 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ftu h GLU 70 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2ftu h GLU 70 CO 0.01 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.45 2ftu n SER 71 N -2.50 0.00 -4.06 1.42 7.64 -1.21 -4.54 113.62 110.37 2ftu n SER 71 Ca 0.01 -0.84 -0.32 0.00 1.01 0.00 0.00 58.87 58.72 2ftu n SER 71 Cb 0.21 -0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 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 2.44 0.39 0.44 0.11 -0.46 -5.01 120.40 116.32 2ftu s VAL 72 Ca 0.40 -2.03 0.32 0.00 -2.93 0.00 0.00 61.98 57.74 2ftu s VAL 72 Cb 0.19 -2.65 0.48 0.00 -1.53 0.00 0.00 36.38 32.87 2ftu s VAL 72 CO 0.31 -0.41 1.26 0.61 -3.33 0.00 0.00 175.10 173.54 2ftu n GLY 73 N 4.38 -0.73 3.16 6.54 0.00 -1.26 -3.98 105.19 113.30 2ftu n GLY 73 Ca -0.03 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 2ftu n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ftu n ASP 74 N -4.00 2.55 -0.32 1.61 9.92 -1.26 -4.81 116.55 120.23 2ftu n ASP 74 Ca 0.34 -2.68 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 2ftu n ASP 74 Cb 1.41 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2ftu n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ftu n GLY 75 N 4.68 0.41 0.21 0.44 0.00 -1.26 -4.31 105.19 105.36 2ftu n GLY 75 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 2ftu n GLY 75 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ftu h GLU 76 N 0.21 0.18 0.00 1.61 -0.00 -1.90 -1.74 114.58 112.94 2ftu h GLU 76 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 2ftu h GLU 76 Cb 0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 28.92 2ftu h GLU 76 CO 0.00 0.12 -0.03 0.07 -0.00 0.00 0.00 179.01 179.17 2ftu h ARG 77 N 0.19 0.00 -0.09 1.06 0.11 -1.96 -3.35 114.38 110.34 2ftu h ARG 77 Ca 0.27 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.30 2ftu h ARG 77 Cb 0.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 2ftu h ARG 77 CO -0.38 0.03 -0.13 0.28 0.10 0.00 0.00 179.97 179.87 2ftu h VAL 78 N 0.00 1.38 -0.12 0.08 2.07 -1.64 -0.24 116.25 117.79 2ftu h VAL 78 Ca -0.00 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.19 2ftu h VAL 78 Cb 0.74 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 2ftu h VAL 78 CO 0.00 0.38 -0.01 0.28 0.02 0.00 0.00 177.57 178.25 2ftu h SER 79 N -0.18 -0.07 0.25 0.57 0.02 -1.68 -1.82 113.55 110.64 2ftu h SER 79 Ca 0.01 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2ftu h SER 79 Cb 0.68 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2ftu h SER 79 CO 0.03 -0.02 -0.29 -0.09 -1.14 0.00 0.00 176.83 175.32 2ftu h ARG 80 N 0.02 0.07 0.29 3.45 2.43 -1.66 -0.36 114.38 118.61 2ftu h ARG 80 Ca 0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2ftu h ARG 80 Cb 0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2ftu h ARG 80 CO -0.10 0.35 -0.28 0.77 -1.51 0.00 0.00 179.97 179.20 2ftu h SER 81 N 0.06 -0.78 -0.26 -3.80 0.02 -0.77 -1.94 113.55 106.09 2ftu h SER 81 Ca 0.01 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2ftu h SER 81 Cb 0.54 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2ftu h SER 81 CO 0.04 -0.38 0.12 -0.09 -1.14 0.00 0.00 176.83 175.38 2ftu h ARG 82 N -0.57 0.43 0.60 3.45 2.43 -0.49 0.19 114.38 120.42 2ftu h ARG 82 Ca -0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2ftu h ARG 82 Cb 0.49 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2ftu h ARG 82 CO -0.03 0.37 -0.29 1.49 -1.51 0.00 0.00 179.97 180.00 2ftu h GLU 83 N 0.44 -0.77 0.00 0.20 4.81 -1.13 -0.43 114.58 117.69 2ftu h GLU 83 Ca 0.11 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2ftu h GLU 83 Cb 0.10 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2ftu h GLU 83 CO -0.01 -0.47 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.23 2ftu h LYS 84 N -0.94 0.00 0.46 1.92 3.11 -0.91 -1.75 116.57 118.46 2ftu h LYS 84 Ca -0.08 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 2ftu h LYS 84 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 2ftu h LYS 84 CO 0.13 0.35 -0.22 1.25 -2.81 0.00 0.00 179.45 178.16 2ftu h HIS 85 N 0.00 -0.57 -0.87 1.91 2.76 -0.42 -0.48 115.15 117.48 2ftu h HIS 85 Ca -0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2ftu h HIS 85 Cb 0.75 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.86 2ftu h HIS 85 CO 0.00 -0.35 0.48 0.00 -1.30 0.00 0.00 177.93 176.76 2ftu h ALA 86 N -0.08 1.21 0.30 5.26 0.00 -0.84 0.19 119.26 125.31 2ftu h ALA 86 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ftu h ALA 86 Cb 0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2ftu h ALA 86 CO 0.10 0.64 -0.39 1.25 0.00 0.00 0.00 179.25 180.85 2ftu h LEU 87 N 1.21 -1.10 0.20 0.00 5.85 -1.27 -0.30 115.31 119.90 2ftu h LEU 87 Ca 0.31 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.14 2ftu h LEU 87 Cb 0.02 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2ftu h LEU 87 CO -0.05 -0.52 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.24 2ftu h LEU 88 N -0.75 -0.61 0.30 2.25 4.07 -0.46 -1.87 115.31 118.25 2ftu h LEU 88 Ca -0.01 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2ftu h LEU 88 Cb 0.70 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 2ftu h LEU 88 CO -0.12 -0.33 -0.23 -0.08 -1.08 0.00 0.00 178.44 176.60 2ftu h GLU 89 N -0.47 -0.52 -0.81 1.13 4.22 -0.61 0.12 114.58 117.65 2ftu h GLU 89 Ca 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 2ftu h GLU 89 Cb 0.45 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2ftu h GLU 89 CO -0.07 -0.34 0.47 0.78 -2.18 0.00 0.00 179.01 177.67 2ftu h GLY 90 N -0.54 1.19 0.94 1.92 0.00 -1.04 0.21 103.07 105.75 2ftu h GLY 90 Ca -0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2ftu h GLY 90 CO -0.01 0.49 0.15 -0.09 0.00 0.00 0.00 176.54 177.08 2ftu h ARG 91 N 1.11 0.41 0.00 4.80 1.12 -1.00 -1.84 114.38 118.99 2ftu h ARG 91 Ca 0.29 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.10 2ftu h ARG 91 Cb -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 2ftu h ARG 91 CO -0.05 0.37 -0.00 1.79 -3.11 0.00 0.00 179.97 178.97 2ftu h THR 92 N 0.34 1.08 -0.69 0.20 1.35 0.11 0.24 112.91 115.55 2ftu h THR 92 Ca 0.10 -0.26 0.04 0.00 -0.55 0.00 0.00 66.41 65.74 2ftu h THR 92 Cb 0.09 1.26 -0.05 0.00 -1.73 0.00 0.00 68.15 67.72 2ftu h THR 92 CO -0.01 0.07 0.42 0.11 -0.25 0.00 0.00 175.52 175.85 2ftu h LYS 93 N -0.11 0.79 -0.04 4.72 1.79 -0.74 0.19 116.57 123.16 2ftu h LYS 93 Ca -0.00 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 2ftu h LYS 93 Cb 0.11 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 2ftu h LYS 93 CO 0.00 0.52 -0.47 1.49 -1.08 0.00 0.00 179.45 179.92 2ftu h GLU 94 N 0.81 0.10 -0.49 3.15 4.57 -1.13 -1.84 114.58 119.75 2ftu h GLU 94 Ca 0.29 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2ftu h GLU 94 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2ftu h GLU 94 CO -0.13 0.55 -0.19 1.25 -1.18 0.00 0.00 179.01 179.30 2ftu h LEU 95 N 0.08 1.01 -0.66 1.64 7.12 0.68 0.35 115.31 125.52 2ftu h LEU 95 Ca 0.00 -0.37 0.07 0.00 0.13 0.00 0.00 57.88 57.71 2ftu h LEU 95 Cb 0.86 -0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.65 2ftu h LEU 95 CO 0.07 1.17 0.35 1.23 -0.13 0.00 0.00 178.44 181.12 2ftu h GLY 96 N 0.89 0.98 0.92 3.75 0.00 -0.48 0.23 103.07 109.36 2ftu h GLY 96 Ca 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.23 2ftu h GLY 96 CO 0.06 0.11 0.28 -1.82 0.00 0.00 0.00 176.54 175.18 2ftu h TYR 97 N 0.63 0.53 0.99 5.60 5.03 -0.93 -0.63 116.97 128.19 2ftu h TYR 97 Ca 0.31 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.59 2ftu h TYR 97 Cb 0.25 -0.17 0.01 0.00 1.55 0.00 0.00 36.73 38.37 2ftu h TYR 97 CO -0.09 0.31 -0.47 1.15 -1.32 0.00 0.00 178.16 177.73 2ftu h THR 98 N 0.57 0.00 -0.24 1.81 2.02 0.55 -1.01 112.91 116.61 2ftu h THR 98 Ca 0.18 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.37 2ftu h THR 98 Cb -0.01 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.34 2ftu h THR 98 CO -0.07 0.00 -0.46 0.58 0.37 0.00 0.00 175.52 175.94 2ftu h VAL 99 N -1.35 0.00 -0.67 3.16 2.07 -0.66 -1.91 116.25 116.89 2ftu h VAL 99 Ca -0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.46 2ftu h VAL 99 Cb 1.01 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2ftu h VAL 99 CO 0.22 0.00 0.34 0.50 0.02 0.00 0.00 177.57 178.65 2ftu h LYS 100 N -0.40 0.58 0.49 1.57 3.64 -0.97 0.48 116.57 121.96 2ftu h LYS 100 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2ftu h LYS 100 Cb 0.53 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2ftu h LYS 100 CO -0.44 0.39 -0.23 0.87 -2.27 0.00 0.00 179.45 177.76 2ftu h LYS 101 N 0.60 -0.63 -0.17 1.90 1.79 -0.93 -1.54 116.57 117.59 2ftu h LYS 101 Ca 0.32 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 2ftu h LYS 101 Cb 0.30 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2ftu h LYS 101 CO -0.24 -0.42 0.04 1.25 -1.08 0.00 0.00 179.45 179.01 2ftu h HIS 102 N -0.66 0.23 0.32 -1.35 2.76 -0.58 -1.69 115.15 114.18 2ftu h HIS 102 Ca -0.07 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2ftu h HIS 102 Cb 0.51 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2ftu h HIS 102 CO -0.04 0.21 -0.23 1.25 -1.30 0.00 0.00 177.93 177.83 2ftu h LEU 103 N 0.24 -0.59 -0.71 0.26 5.85 0.32 0.40 115.31 121.08 2ftu h LEU 103 Ca 0.06 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 2ftu h LEU 103 Cb 0.10 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ftu h LEU 103 CO -0.00 -0.35 -0.55 -0.61 -0.34 0.00 0.00 178.44 176.59 2ftu h GLN 104 N -0.54 0.28 0.15 1.25 4.15 -0.97 -0.09 115.11 119.35 2ftu h GLN 104 Ca -0.03 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 2ftu h GLN 104 Cb 0.47 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2ftu h GLN 104 CO 0.00 0.76 -0.07 0.22 -1.93 0.00 0.00 178.83 177.81 2ftu h ASP 105 N 0.22 -0.17 -0.22 -0.69 3.58 -1.05 0.24 116.42 118.33 2ftu h ASP 105 Ca 0.00 -0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.31 2ftu h ASP 105 Cb 1.03 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 42.06 2ftu h ASP 105 CO 0.09 0.11 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.22 2ftu h LEU 106 N -0.46 -0.84 -2.41 2.28 4.07 -0.89 -0.57 115.31 116.47 2ftu h LEU 106 Ca -0.02 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2ftu h LEU 106 Cb 0.36 0.38 -0.00 0.00 1.08 0.00 0.00 40.66 42.49 2ftu h LEU 106 CO 0.03 -0.30 -0.03 0.28 -1.08 0.00 0.00 178.44 177.34 2ftu h SER 107 N -0.29 0.00 -0.04 -0.43 0.02 -0.92 0.27 113.55 112.15 2ftu h SER 107 Ca 0.13 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.84 2ftu h SER 107 Cb 0.49 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.04 2ftu h SER 107 CO -0.38 0.03 -0.88 1.23 -1.14 0.00 0.00 176.83 175.69 2ftu h GLY 108 N 0.30 0.75 0.03 -3.77 0.00 0.38 -3.21 103.07 97.54 2ftu h GLY 108 Ca -0.00 -1.22 -0.00 0.00 0.00 0.00 0.00 47.33 46.11 2ftu h GLY 108 CO 0.00 1.08 -0.00 3.21 0.00 0.00 0.00 176.54 180.83 2ftu h ARG 109 N 0.34 -0.01 -0.16 4.80 3.08 0.34 -3.19 114.38 119.57 2ftu h ARG 109 Ca -0.10 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.00 2ftu h ARG 109 Cb 1.53 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.54 2ftu h ARG 109 CO 0.17 0.64 -0.12 0.82 -1.07 0.00 0.00 179.97 180.42 2ftu h ILE 110 N -0.98 0.66 -1.00 2.04 1.08 -0.76 -1.67 117.51 116.88 2ftu h ILE 110 Ca -0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 2ftu h ILE 110 Cb 0.66 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 34.99 2ftu h ILE 110 CO 0.00 0.00 0.63 -1.28 -0.69 0.00 0.00 178.15 176.81 2ftu h SER 111 N -0.12 0.93 0.09 1.72 0.87 -1.69 -1.48 113.55 113.87 2ftu h SER 111 Ca 0.10 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2ftu h SER 111 Cb 0.27 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2ftu h SER 111 CO -0.24 0.51 -0.04 -0.09 -0.53 0.00 0.00 176.83 176.44 2ftu h ARG 112 N 1.01 -0.11 -6.33 2.24 9.65 -1.44 -3.49 114.38 115.91 2ftu h ARG 112 Ca 0.48 0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 59.05 2ftu h ARG 112 Cb 0.45 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2ftu h ARG 112 CO -0.25 0.17 -1.04 0.00 2.80 0.00 0.00 179.97 181.65 2ftu n ALA 113 N -2.29 -2.49 1.50 2.80 0.00 -0.56 -4.89 120.51 114.58 2ftu n ALA 113 Ca -0.08 0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.84 2ftu n ALA 113 Cb 0.18 -2.32 0.49 0.00 0.00 0.00 0.00 19.45 17.80 2ftu n ALA 113 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ftu n ARG 114 N -0.54 0.75 0.00 0.00 1.85 -1.26 -4.92 116.66 112.54 2ftu n ARG 114 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 2ftu n ARG 114 Cb 0.64 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 2ftu n ARG 114 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ftu n HIS 115 N -0.84 0.00 -0.59 2.89 8.25 -1.26 -4.90 115.22 118.77 2ftu n HIS 115 Ca 0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 2ftu n HIS 115 Cb 0.06 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.38 2ftu n HIS 115 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ftu n ASN 116 N 1.36 -1.15 -4.50 0.41 5.15 -1.26 -4.76 115.26 110.52 2ftu n ASN 116 Ca 0.00 0.07 -0.31 0.00 -0.60 0.00 0.00 54.58 53.75 2ftu n ASN 116 Cb 0.00 -1.30 0.19 0.00 -0.53 0.00 0.00 39.78 38.15 2ftu n ASN 116 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2ftu n GLU 117 N -4.18 -1.33 0.00 1.20 0.00 -1.26 -4.85 120.64 110.22 2ftu n GLU 117 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 57.16 56.92 2ftu n GLU 117 Cb 0.54 -2.12 0.04 0.00 0.00 0.00 0.00 31.44 29.90 2ftu n GLU 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41