#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 3.89 -0.30 5.15 -7.23 -1.26 -4.99 120.40 115.66 2ftu s VAL 2 Ca 0.00 1.25 -0.04 0.00 -1.81 0.00 0.00 61.98 61.38 2ftu s VAL 2 Cb 0.00 -3.80 0.17 0.00 0.56 0.00 0.00 36.38 33.31 2ftu s VAL 2 CO 0.00 -0.01 0.65 -0.44 -0.31 0.00 0.00 175.10 175.00 2ftu s SER 3 N 1.79 -1.24 -0.25 4.85 0.01 -1.26 -4.41 113.70 113.19 2ftu s SER 3 Ca 0.61 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.88 2ftu s SER 3 Cb -0.29 2.13 0.04 0.00 0.21 0.00 0.00 66.02 68.12 2ftu s SER 3 CO 0.25 -0.23 -0.10 -1.00 0.41 0.00 0.00 173.24 172.57 2ftu s HIS 4 N 2.86 3.15 -0.80 2.43 3.76 -1.26 -5.06 115.29 120.37 2ftu s HIS 4 Ca 0.13 -1.99 -0.25 0.00 -0.15 0.00 0.00 55.06 52.80 2ftu s HIS 4 Cb -0.14 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 2ftu s HIS 4 CO -0.20 -0.83 1.81 -1.14 -0.85 0.00 0.00 174.74 173.54 2ftu s GLN 5 N 1.20 2.74 0.00 1.40 0.74 -1.26 -4.66 119.66 119.82 2ftu s GLN 5 Ca -0.04 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.31 2ftu s GLN 5 Cb -0.18 -4.79 0.00 0.00 1.10 0.00 0.00 33.01 29.14 2ftu s GLN 5 CO -0.06 -2.93 0.00 0.41 -0.55 0.00 0.00 175.29 172.16 2ftu n GLY 6 N 6.34 -2.15 0.34 2.59 0.00 -1.26 -5.06 105.19 105.98 2ftu n GLY 6 Ca 0.30 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2ftu n GLY 6 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ftu n TYR 7 N 0.94 0.00 -3.29 1.61 0.18 -1.26 -4.96 117.16 110.38 2ftu n TYR 7 Ca 0.00 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.39 2ftu n TYR 7 Cb 0.00 0.22 -0.07 0.00 -0.38 0.00 0.00 39.34 39.11 2ftu n TYR 7 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2ftu s SER 8 N 0.00 6.53 0.00 9.48 0.01 -1.26 -4.12 113.70 124.34 2ftu s SER 8 Ca 0.00 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2ftu s SER 8 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2ftu s SER 8 CO 0.00 -0.14 0.00 1.07 0.41 0.00 0.00 173.24 174.58 2ftu n THR 9 N 4.42 0.00 -4.03 1.44 5.66 -1.26 -4.91 114.28 115.61 2ftu n THR 9 Ca -0.06 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.90 2ftu n THR 9 Cb 0.51 -0.65 -0.01 0.00 -1.55 0.00 0.00 70.33 68.63 2ftu n THR 9 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2ftu n GLU 10 N 0.17 1.81 -3.93 1.09 0.28 -1.26 -4.96 120.64 113.84 2ftu n GLU 10 Ca 0.00 -0.42 -0.14 0.00 -0.16 0.00 0.00 57.16 56.44 2ftu n GLU 10 Cb 0.27 0.11 -0.15 0.00 1.43 0.00 0.00 31.44 33.09 2ftu n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ftu s ALA 11 N -2.10 0.18 0.00 -1.84 0.00 -1.26 -4.97 121.76 111.77 2ftu s ALA 11 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2ftu s ALA 11 Cb -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2ftu s ALA 11 CO 0.00 -0.01 1.46 0.39 0.00 0.00 0.00 175.76 177.60 2ftu n GLU 12 N 3.46 0.93 -1.22 0.00 1.02 -1.26 -3.48 120.64 120.08 2ftu n GLU 12 Ca -0.18 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.79 2ftu n GLU 12 Cb 0.56 -1.04 0.14 0.00 -0.02 0.00 0.00 31.44 31.08 2ftu n GLU 12 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ftu n PHE 13 N 1.11 2.14 -3.22 -0.32 3.01 -1.26 -4.76 117.46 114.16 2ftu n PHE 13 Ca 0.00 -2.07 -0.22 0.00 1.01 0.00 0.00 57.45 56.17 2ftu n PHE 13 Cb 0.46 -0.73 -0.07 0.00 -0.01 0.00 0.00 39.48 39.14 2ftu n PHE 13 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2ftu n GLU 14 N -1.01 0.39 -4.24 -1.08 2.13 -1.23 -4.95 120.64 110.65 2ftu n GLU 14 Ca 0.45 -2.94 -0.14 0.00 0.66 0.00 0.00 57.16 55.19 2ftu n GLU 14 Cb 1.04 -1.52 -0.10 0.00 0.27 0.00 0.00 31.44 31.13 2ftu n GLU 14 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ftu s GLU 15 N -0.10 1.11 0.21 5.31 2.02 -1.26 -4.68 118.70 121.31 2ftu s GLU 15 Ca 0.33 -1.53 -0.11 0.00 0.02 0.00 0.00 54.97 53.68 2ftu s GLU 15 Cb 0.08 -0.31 0.27 0.00 0.10 0.00 0.00 34.13 34.27 2ftu s GLU 15 CO -0.16 -0.11 1.67 -1.35 0.02 0.00 0.00 175.26 175.33 2ftu h PRO 16 N 2.70 0.13 0.00 0.39 0.11 -2.01 -3.39 132.00 129.93 2ftu h PRO 16 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2ftu h PRO 16 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ftu h PRO 16 CO 0.63 0.08 0.00 -2.13 -0.21 0.00 0.00 178.00 176.37 2ftu n ARG 17 N -5.25 0.00 -0.22 1.05 0.00 -1.26 -0.14 116.66 110.83 2ftu n ARG 17 Ca 0.08 0.70 -0.08 0.00 -0.00 0.00 0.00 57.85 58.55 2ftu n ARG 17 Cb 0.33 -1.43 0.05 0.00 0.00 0.00 0.00 32.46 31.41 2ftu n ARG 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2ftu h VAL 18 N 0.00 1.26 -0.23 5.15 -1.51 -2.00 -0.81 116.25 118.11 2ftu h VAL 18 Ca 0.00 -1.08 -0.05 0.00 -1.23 0.00 0.00 66.70 64.34 2ftu h VAL 18 Cb 0.00 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 29.84 2ftu h VAL 18 CO 0.00 0.40 -0.09 0.40 -1.23 0.00 0.00 177.57 177.05 2ftu h ILE 19 N 1.01 1.19 -0.02 7.19 1.08 -1.70 -1.68 117.51 124.58 2ftu h ILE 19 Ca 0.19 -0.83 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 2ftu h ILE 19 Cb 0.48 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2ftu h ILE 19 CO 0.02 0.27 -0.00 -0.78 -0.69 0.00 0.00 178.15 176.97 2ftu h ASP 20 N 0.35 0.04 -0.95 1.72 3.58 -0.07 -0.65 116.42 120.44 2ftu h ASP 20 Ca 0.07 -0.32 0.16 0.00 0.42 0.00 0.00 57.03 57.37 2ftu h ASP 20 Cb 0.39 -0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.34 2ftu h ASP 20 CO 0.02 0.35 0.60 -0.07 -2.88 0.00 0.00 179.24 177.26 2ftu h LEU 21 N -0.26 0.71 -0.40 2.28 -0.00 -0.53 0.14 115.31 117.25 2ftu h LEU 21 Ca 0.01 0.06 -0.18 0.00 -0.00 0.00 0.00 57.88 57.76 2ftu h LEU 21 Cb 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 2ftu h LEU 21 CO 0.00 0.33 -0.76 -0.50 -0.00 0.00 0.00 178.44 177.51 2ftu h TRP 22 N 0.74 0.47 -0.61 1.13 6.55 -1.24 -0.74 115.95 122.24 2ftu h TRP 22 Ca 0.50 -0.22 0.12 0.00 0.95 0.00 0.00 58.89 60.25 2ftu h TRP 22 Cb 0.79 -0.07 -0.10 0.00 -0.86 0.00 0.00 29.16 28.93 2ftu h TRP 22 CO -0.00 0.98 0.07 0.22 -1.05 0.00 0.00 178.44 178.65 2ftu h ASP 23 N 0.23 -0.13 0.91 -3.49 1.82 0.85 -1.01 116.42 115.60 2ftu h ASP 23 Ca -0.03 0.13 -0.23 0.00 -0.39 0.00 0.00 57.03 56.51 2ftu h ASP 23 Cb 1.34 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 41.53 2ftu h ASP 23 CO 0.13 -0.05 -1.11 -0.07 -1.61 0.00 0.00 179.24 176.52 2ftu h LEU 24 N 0.19 0.04 -1.99 2.28 -0.00 -1.32 -3.25 115.31 111.26 2ftu h LEU 24 Ca 0.32 -0.04 0.17 0.00 -0.00 0.00 0.00 57.88 58.34 2ftu h LEU 24 Cb 0.51 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2ftu h LEU 24 CO -0.47 1.03 0.49 0.00 -0.00 0.00 0.00 178.44 179.50 2ftu h ALA 25 N 0.96 2.47 -0.03 1.53 0.00 0.17 0.14 119.26 124.50 2ftu h ALA 25 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ftu h ALA 25 Cb 1.82 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2ftu h ALA 25 CO 0.13 -0.80 0.06 0.37 0.00 0.00 0.00 179.25 179.01 2ftu h GLN 26 N 0.00 0.00 -0.88 0.00 4.15 -1.40 -3.32 115.11 113.66 2ftu h GLN 26 Ca 0.29 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.53 2ftu h GLN 26 Cb 1.26 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.79 2ftu h GLN 26 CO -0.00 0.00 -0.51 0.43 -1.93 0.00 0.00 178.83 176.82 2ftu n SER 27 N -3.52 -3.27 0.10 -0.69 7.64 0.42 -5.05 113.62 109.26 2ftu n SER 27 Ca -0.02 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2ftu n SER 27 Cb 0.14 1.69 0.00 0.00 -1.01 0.00 0.00 64.21 65.03 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 2.72 3.00 -1.05 -0.43 0.00 -0.73 -4.93 120.51 119.08 2ftu n ALA 28 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ftu n ALA 28 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.49 0.00 -2.67 0.00 2.85 -1.26 -5.08 115.26 105.61 2ftu n ASN 29 Ca 0.00 -0.53 -0.09 0.00 -0.11 0.00 0.00 54.58 53.86 2ftu n ASN 29 Cb 0.00 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.09 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 -4.77 1.20 4.77 -1.26 -4.81 117.00 112.13 2ftu n LEU 30 Ca 0.00 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 2ftu n LEU 30 Cb 0.24 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2ftu n LEU 30 CO 0.00 -1.02 -0.20 0.42 -1.33 0.00 0.00 177.39 175.25 2ftu s THR 31 N -1.74 3.96 0.28 -5.08 -4.23 -1.26 -4.98 115.64 102.59 2ftu s THR 31 Ca 0.22 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 2ftu s THR 31 Cb -0.01 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.91 2ftu s THR 31 CO 0.16 -0.32 1.81 0.44 -0.54 0.00 0.00 174.62 176.16 2ftu h ASP 32 N 1.58 0.80 0.16 3.99 3.32 -1.99 0.10 116.42 124.38 2ftu h ASP 32 Ca -0.47 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2ftu h ASP 32 Cb 1.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2ftu h ASP 32 CO 0.61 0.39 -0.08 0.50 -1.72 0.00 0.00 179.24 178.94 2ftu h LYS 33 N 0.86 -0.21 -0.89 3.56 3.64 -1.99 -0.22 116.57 121.33 2ftu h LYS 33 Ca 0.50 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.88 2ftu h LYS 33 Cb 0.59 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2ftu h LYS 33 CO -0.30 0.21 0.51 1.49 -2.27 0.00 0.00 179.45 179.09 2ftu h GLU 34 N -0.73 1.23 0.27 1.90 4.22 -1.91 -1.26 114.58 118.30 2ftu h GLU 34 Ca -0.02 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.29 2ftu h GLU 34 Cb 0.51 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2ftu h GLU 34 CO 0.04 0.88 -0.29 1.25 -2.18 0.00 0.00 179.01 178.70 2ftu h LEU 35 N 1.24 -0.79 -1.36 1.64 7.12 -0.78 0.57 115.31 122.95 2ftu h LEU 35 Ca 0.32 0.07 0.01 0.00 0.13 0.00 0.00 57.88 58.41 2ftu h LEU 35 Cb -0.01 0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.35 2ftu h LEU 35 CO -0.06 -0.41 0.44 -0.08 -0.13 0.00 0.00 178.44 178.20 2ftu h GLU 36 N -0.60 0.85 0.53 1.25 4.57 -0.52 0.42 114.58 121.08 2ftu h GLU 36 Ca -0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2ftu h GLU 36 Cb 0.56 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2ftu h GLU 36 CO -0.07 0.56 -0.25 0.00 -1.18 0.00 0.00 179.01 178.07 2ftu h ALA 37 N 1.59 -0.71 -0.96 2.92 0.00 -1.02 -1.81 119.26 119.28 2ftu h ALA 37 Ca 0.25 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2ftu h ALA 37 Cb -0.06 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 2ftu h ALA 37 CO -0.06 -0.82 0.61 0.35 0.00 0.00 0.00 179.25 179.33 2ftu h PHE 38 N -0.86 0.87 -0.19 0.00 3.04 -0.28 -1.02 116.94 118.49 2ftu h PHE 38 Ca -0.07 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.79 2ftu h PHE 38 Cb 0.60 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 2ftu h PHE 38 CO -0.01 0.24 -0.32 -0.09 -2.02 0.00 0.00 178.31 176.11 2ftu h ARG 39 N 0.66 0.56 -0.03 1.11 1.12 0.21 0.39 114.38 118.40 2ftu h ARG 39 Ca 0.52 -0.34 -0.00 0.00 -1.11 0.00 0.00 59.98 59.05 2ftu h ARG 39 Cb 0.93 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.93 2ftu h ARG 39 CO -0.28 0.95 0.00 1.05 -3.11 0.00 0.00 179.97 178.58 2ftu h GLU 40 N 0.22 0.04 -0.97 0.20 -0.00 -0.91 -1.17 114.58 111.98 2ftu h GLU 40 Ca 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 59.36 59.38 2ftu h GLU 40 Cb 0.90 -0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 29.60 2ftu h GLU 40 CO 0.07 0.28 0.64 1.49 -0.00 0.00 0.00 179.01 181.49 2ftu h GLU 41 N -0.20 1.26 -0.18 1.06 4.81 -1.13 -1.61 114.58 118.59 2ftu h GLU 41 Ca 0.01 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 2ftu h GLU 41 Cb 0.26 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2ftu h GLU 41 CO 0.00 0.84 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.54 2ftu h LEU 42 N 1.30 0.54 -0.68 1.64 -0.00 -0.20 0.55 115.31 118.46 2ftu h LEU 42 Ca 0.36 -0.28 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2ftu h LEU 42 Cb -0.12 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.34 2ftu h LEU 42 CO -0.09 0.96 0.43 0.50 -0.00 0.00 0.00 178.44 180.24 2ftu h LYS 43 N 0.39 0.83 -0.76 1.13 1.63 -0.31 0.38 116.57 119.87 2ftu h LYS 43 Ca 0.02 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2ftu h LYS 43 Cb 1.03 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.43 2ftu h LYS 43 CO 0.09 0.55 0.45 0.45 -3.45 0.00 0.00 179.45 177.55 2ftu h HIS 44 N 0.86 1.00 0.63 1.91 3.86 -0.98 -1.95 115.15 120.47 2ftu h HIS 44 Ca 0.27 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2ftu h HIS 44 Cb -0.01 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.13 2ftu h HIS 44 CO -0.04 0.67 -0.30 0.35 0.86 0.00 0.00 177.93 179.47 2ftu h PHE 45 N 1.03 -0.79 -0.65 2.45 3.04 0.06 -1.85 116.94 120.24 2ftu h PHE 45 Ca 0.27 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.26 2ftu h PHE 45 Cb -0.03 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 38.68 2ftu h PHE 45 CO -0.01 -0.44 0.35 1.05 -2.02 0.00 0.00 178.31 177.24 2ftu h GLU 46 N -1.06 0.62 0.14 1.11 -0.00 -0.34 -0.24 114.58 114.82 2ftu h GLU 46 Ca -0.09 -0.04 0.02 0.00 -0.00 0.00 0.00 59.36 59.25 2ftu h GLU 46 Cb 0.70 -0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 29.27 2ftu h GLU 46 CO 0.14 0.41 -0.26 0.00 -0.00 0.00 0.00 179.01 179.30 2ftu h ALA 47 N 1.35 -0.46 -0.25 1.06 0.00 -1.35 0.14 119.26 119.75 2ftu h ALA 47 Ca 0.30 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2ftu h ALA 47 Cb 0.21 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2ftu h ALA 47 CO -0.19 -0.81 -0.29 -0.22 0.00 0.00 0.00 179.25 177.74 2ftu h LYS 48 N -0.49 -0.29 0.00 0.00 1.63 -0.44 -1.83 116.57 115.16 2ftu h LYS 48 Ca 0.02 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.75 2ftu h LYS 48 Cb 0.50 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2ftu h LYS 48 CO -0.14 -0.19 -0.46 0.97 -3.45 0.00 0.00 179.45 176.18 2ftu h ILE 49 N -0.30 0.86 -0.60 2.00 2.10 -0.75 -0.72 117.51 120.10 2ftu h ILE 49 Ca 0.13 -1.99 -0.06 0.00 1.08 0.00 0.00 64.86 64.02 2ftu h ILE 49 Cb 0.51 2.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 2ftu h ILE 49 CO -0.41 0.45 0.14 -0.33 -1.08 0.00 0.00 178.15 176.92 2ftu h GLU 50 N 0.00 0.96 -0.21 2.19 5.08 -0.47 -0.14 114.58 121.99 2ftu h GLU 50 Ca -0.00 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 57.94 2ftu h GLU 50 Cb 1.23 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2ftu h GLU 50 CO 0.06 0.88 -0.59 0.87 -1.00 0.00 0.00 179.01 179.23 2ftu h LYS 51 N 0.87 0.68 0.01 2.33 6.56 -0.99 -1.14 116.57 124.89 2ftu h LYS 51 Ca 0.19 -0.46 0.02 0.00 -1.06 0.00 0.00 60.65 59.34 2ftu h LYS 51 Cb 0.35 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 2ftu h LYS 51 CO 0.00 1.08 -0.14 1.25 -2.06 0.00 0.00 179.45 179.58 2ftu h HIS 52 N 0.51 -0.35 -0.70 -1.35 -0.00 -1.01 -1.09 115.15 111.17 2ftu h HIS 52 Ca 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.53 2ftu h HIS 52 Cb 1.17 0.16 -0.13 0.00 -0.00 0.00 0.00 27.41 28.61 2ftu h HIS 52 CO 0.06 -0.20 -0.08 -0.97 -0.00 0.00 0.00 177.93 176.74 2ftu h ASN 53 N -0.23 -0.47 -0.65 3.26 -1.24 -1.01 0.11 115.58 115.36 2ftu h ASN 53 Ca 0.05 0.19 0.06 0.00 0.71 0.00 0.00 56.30 57.30 2ftu h ASN 53 Cb 0.29 0.37 -0.05 0.00 0.73 0.00 0.00 38.32 39.65 2ftu h ASN 53 CO -0.13 -0.19 0.36 0.45 -1.29 0.00 0.00 177.43 176.63 2ftu h HIS 54 N 0.06 0.66 0.33 0.67 3.86 -0.56 -1.43 115.15 118.73 2ftu h HIS 54 Ca 0.36 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 2ftu h HIS 54 Cb 0.59 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2ftu h HIS 54 CO -0.47 0.32 -0.16 1.88 0.86 0.00 0.00 177.93 180.36 2ftu h TYR 55 N 0.66 -0.41 -0.54 2.45 -1.99 0.27 -1.72 116.97 115.70 2ftu h TYR 55 Ca 0.29 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.05 2ftu h TYR 55 Cb 0.17 0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 2ftu h TYR 55 CO -0.08 -0.08 0.36 -0.56 -0.00 0.00 0.00 178.16 177.79 2ftu h GLN 56 N -0.76 0.55 0.30 4.88 3.07 -0.74 0.62 115.11 123.04 2ftu h GLN 56 Ca -0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 2ftu h GLN 56 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.94 2ftu h GLN 56 CO 0.07 0.36 -0.14 0.87 0.09 0.00 0.00 178.83 180.08 2ftu h LYS 57 N 0.57 -0.39 -0.08 0.06 1.79 -1.26 -1.82 116.57 115.44 2ftu h LYS 57 Ca 0.22 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 2ftu h LYS 57 Cb 0.18 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2ftu h LYS 57 CO -0.06 -0.14 0.07 1.96 -1.08 0.00 0.00 179.45 180.20 2ftu h GLN 58 N -0.59 0.00 0.06 3.15 1.08 -0.41 -1.86 115.11 116.54 2ftu h GLN 58 Ca -0.04 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2ftu h GLN 58 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2ftu h GLN 58 CO 0.07 0.00 -0.03 -0.07 -0.95 0.00 0.00 178.83 177.85 2ftu h LEU 59 N 0.00 -0.07 -0.27 1.46 3.38 -0.51 0.11 115.31 119.41 2ftu h LEU 59 Ca 0.04 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.61 2ftu h LEU 59 Cb 0.17 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2ftu h LEU 59 CO -0.00 0.43 -0.01 -0.33 0.09 0.00 0.00 178.44 178.62 2ftu h GLU 60 N -0.60 0.06 -0.70 1.13 4.39 -1.02 0.18 114.58 118.03 2ftu h GLU 60 Ca -0.01 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2ftu h GLU 60 Cb 0.51 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2ftu h GLU 60 CO 0.01 0.04 0.15 0.82 -1.16 0.00 0.00 179.01 178.88 2ftu h ILE 61 N 0.07 1.26 -0.70 3.13 2.04 -1.42 -1.76 117.51 120.13 2ftu h ILE 61 Ca 0.13 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 2ftu h ILE 61 Cb 0.17 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2ftu h ILE 61 CO -0.23 0.38 0.31 0.00 0.00 0.00 0.00 178.15 178.61 2ftu h ALA 62 N 1.07 1.23 -0.30 1.87 0.00 -0.31 -1.85 119.26 120.97 2ftu h ALA 62 Ca 0.22 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2ftu h ALA 62 Cb 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ftu h ALA 62 CO 0.01 0.58 -0.25 1.25 0.00 0.00 0.00 179.25 180.84 2ftu h HIS 63 N 1.00 0.83 0.63 0.00 6.17 -0.18 0.30 115.15 123.90 2ftu h HIS 63 Ca 0.24 -0.24 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 2ftu h HIS 63 Cb 0.14 -0.18 0.01 0.00 2.52 0.00 0.00 27.41 29.90 2ftu h HIS 63 CO 0.01 0.97 -0.31 1.49 0.71 0.00 0.00 177.93 180.81 2ftu h GLU 64 N 0.45 -0.82 0.00 5.26 4.81 -1.21 -0.34 114.58 122.73 2ftu h GLU 64 Ca 0.05 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2ftu h GLU 64 Cb 0.81 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2ftu h GLU 64 CO 0.06 -0.54 0.00 1.57 -0.73 0.00 0.00 179.01 179.37 2ftu h LYS 65 N -0.85 0.00 0.06 1.92 5.09 -1.30 -1.48 116.57 120.01 2ftu h LYS 65 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.65 2ftu h LYS 65 Cb 0.65 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.98 2ftu h LYS 65 CO 0.14 0.00 -0.03 1.25 -2.09 0.00 0.00 179.45 178.72 2ftu h LEU 66 N 0.00 -0.07 -1.26 7.07 5.85 0.19 -0.47 115.31 126.62 2ftu h LEU 66 Ca 0.00 -0.39 0.14 0.00 0.84 0.00 0.00 57.88 58.48 2ftu h LEU 66 Cb 0.37 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2ftu h LEU 66 CO 0.00 0.36 0.58 0.03 -0.34 0.00 0.00 178.44 179.07 2ftu h ARG 67 N -0.52 0.69 -0.66 1.25 3.08 -0.53 0.26 114.38 117.95 2ftu h ARG 67 Ca -0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 2ftu h ARG 67 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2ftu h ARG 67 CO 0.01 0.46 0.18 0.45 -1.07 0.00 0.00 179.97 180.00 2ftu h HIS 68 N 0.72 1.07 0.04 3.04 3.86 -1.09 -2.50 115.15 120.28 2ftu h HIS 68 Ca 0.46 -0.11 -0.17 0.00 -1.16 0.00 0.00 60.37 59.38 2ftu h HIS 68 Cb 0.71 -0.31 0.02 0.00 1.06 0.00 0.00 27.41 28.89 2ftu h HIS 68 CO -0.00 0.87 -0.71 0.00 0.86 0.00 0.00 177.93 178.95 2ftu h ALA 69 N 1.20 0.03 -0.36 2.45 0.00 0.76 -3.28 119.26 120.07 2ftu h ALA 69 Ca 0.21 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2ftu h ALA 69 Cb 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2ftu h ALA 69 CO -0.00 0.39 0.07 0.93 0.00 0.00 0.00 179.25 180.64 2ftu h GLU 70 N -0.12 0.53 0.00 0.00 5.08 -0.62 -1.79 114.58 117.66 2ftu h GLU 70 Ca -0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2ftu h GLU 70 Cb 1.44 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2ftu h GLU 70 CO 0.14 0.50 0.00 0.43 -1.00 0.00 0.00 179.01 179.08 2ftu n SER 71 N -4.33 0.00 -0.04 1.42 7.64 -0.94 -3.07 113.62 114.29 2ftu n SER 71 Ca 0.02 0.26 -0.07 0.00 1.01 0.00 0.00 58.87 60.09 2ftu n SER 71 Cb 0.20 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2ftu n SER 71 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2ftu h VAL 72 N 0.00 0.78 0.00 0.44 2.07 -1.41 -3.50 116.25 114.62 2ftu h VAL 72 Ca 0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2ftu h VAL 72 Cb 0.12 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2ftu h VAL 72 CO 0.00 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.46 2ftu n GLY 73 N 1.54 0.75 0.00 2.17 0.00 -1.18 -5.14 105.19 103.33 2ftu n GLY 73 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.00 0.00 1.61 2.03 -1.26 -5.10 116.55 113.83 2ftu n ASP 74 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ftu n ASP 74 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ftu n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ftu n GLY 75 N 3.00 2.37 0.27 0.27 0.00 -1.26 -4.99 105.19 104.85 2ftu n GLY 75 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.59 0.00 1.61 4.57 -1.98 0.12 114.58 118.31 2ftu h GLU 76 Ca 0.00 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2ftu h GLU 76 Cb 0.00 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2ftu h GLU 76 CO 0.00 -0.30 -0.12 0.07 -1.18 0.00 0.00 179.01 177.48 2ftu h ARG 77 N -0.81 0.00 0.52 1.92 0.11 -1.98 0.38 114.38 114.52 2ftu h ARG 77 Ca -0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2ftu h ARG 77 Cb 0.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.64 2ftu h ARG 77 CO 0.10 0.12 -0.25 0.28 0.10 0.00 0.00 179.97 180.32 2ftu h VAL 78 N 0.00 0.13 -0.64 0.08 2.07 -1.85 -0.66 116.25 115.38 2ftu h VAL 78 Ca -0.00 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2ftu h VAL 78 Cb 0.22 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2ftu h VAL 78 CO 0.02 0.03 0.34 0.28 0.02 0.00 0.00 177.57 178.25 2ftu h SER 79 N -1.13 0.82 -0.56 0.57 0.02 -0.49 0.10 113.55 112.87 2ftu h SER 79 Ca -0.07 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2ftu h SER 79 Cb 0.58 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2ftu h SER 79 CO 0.12 0.69 0.23 -0.09 -1.14 0.00 0.00 176.83 176.64 2ftu h ARG 80 N 0.88 0.87 0.45 3.45 2.43 -1.01 0.18 114.38 121.63 2ftu h ARG 80 Ca 0.23 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2ftu h ARG 80 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2ftu h ARG 80 CO -0.03 0.72 -0.40 0.77 -1.51 0.00 0.00 179.97 179.52 2ftu h SER 81 N 0.86 -1.07 -0.76 -3.80 0.02 -0.32 -1.92 113.55 106.56 2ftu h SER 81 Ca 0.20 0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.35 2ftu h SER 81 Cb 0.18 0.34 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 2ftu h SER 81 CO -0.02 -0.54 0.50 -0.09 -1.14 0.00 0.00 176.83 175.54 2ftu h ARG 82 N -0.83 0.55 0.44 3.45 2.43 -0.05 0.15 114.38 120.52 2ftu h ARG 82 Ca -0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2ftu h ARG 82 Cb 0.71 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2ftu h ARG 82 CO -0.02 0.36 -0.21 1.49 -1.51 0.00 0.00 179.97 180.08 2ftu h GLU 83 N 0.57 -0.57 -0.41 0.20 4.22 -0.65 0.47 114.58 118.41 2ftu h GLU 83 Ca 0.36 0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.77 2ftu h GLU 83 Cb 0.63 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2ftu h GLU 83 CO -0.13 -0.37 -0.06 -0.22 -2.18 0.00 0.00 179.01 176.05 2ftu h LYS 84 N -0.61 0.69 -0.13 1.92 3.11 -0.31 -1.81 116.57 119.44 2ftu h LYS 84 Ca -0.06 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 2ftu h LYS 84 Cb 0.47 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 2ftu h LYS 84 CO 0.10 0.75 0.08 0.45 -2.81 0.00 0.00 179.45 178.02 2ftu h HIS 85 N 0.64 0.15 -0.43 1.91 3.86 -0.46 -1.03 115.15 119.80 2ftu h HIS 85 Ca 0.12 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2ftu h HIS 85 Cb 0.49 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 2ftu h HIS 85 CO 0.02 0.09 0.25 0.00 0.86 0.00 0.00 177.93 179.16 2ftu h ALA 86 N 1.05 0.54 -0.33 2.45 0.00 -0.44 0.15 119.26 122.67 2ftu h ALA 86 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ftu h ALA 86 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ftu h ALA 86 CO -0.01 -0.07 0.21 1.37 0.00 0.00 0.00 179.25 180.74 2ftu h LEU 87 N 0.51 0.40 -0.01 0.00 8.10 -1.17 0.36 115.31 123.50 2ftu h LEU 87 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.12 2ftu h LEU 87 Cb 0.01 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.13 2ftu h LEU 87 CO -0.08 0.32 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.50 2ftu h LEU 88 N 0.44 -0.02 -0.90 0.17 4.07 -0.82 -1.97 115.31 116.28 2ftu h LEU 88 Ca 0.12 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.12 2ftu h LEU 88 Cb -0.01 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 2ftu h LEU 88 CO -0.02 -0.01 0.58 -0.33 -1.08 0.00 0.00 178.44 177.58 2ftu h GLU 89 N -0.00 1.08 -0.02 1.13 4.39 -0.46 0.48 114.58 121.18 2ftu h GLU 89 Ca 0.01 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2ftu h GLU 89 Cb 0.01 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 2ftu h GLU 89 CO -0.02 0.72 -0.08 0.78 -1.16 0.00 0.00 179.01 179.25 2ftu h GLY 90 N 1.12 -0.08 1.02 -3.84 0.00 -0.73 -0.19 103.07 100.38 2ftu h GLY 90 Ca 0.37 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 2ftu h GLY 90 CO -0.13 -0.09 0.45 -0.09 0.00 0.00 0.00 176.54 176.68 2ftu h ARG 91 N -0.13 1.15 -0.06 4.80 9.65 -0.59 -1.74 114.38 127.46 2ftu h ARG 91 Ca 0.04 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 2ftu h ARG 91 Cb 0.19 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 2ftu h ARG 91 CO -0.10 0.85 -0.38 1.79 2.80 0.00 0.00 179.97 184.94 2ftu h THR 92 N 1.15 1.29 0.53 0.20 1.35 -0.33 0.27 112.91 117.37 2ftu h THR 92 Ca 0.29 -1.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.75 2ftu h THR 92 Cb 0.04 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2ftu h THR 92 CO -0.05 0.40 -0.25 0.11 -0.25 0.00 0.00 175.52 175.48 2ftu h LYS 93 N 0.11 -0.68 -0.52 4.72 1.57 -0.88 0.04 116.57 120.93 2ftu h LYS 93 Ca 0.01 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2ftu h LYS 93 Cb 0.72 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 2ftu h LYS 93 CO 0.05 -0.40 0.29 0.93 -0.57 0.00 0.00 179.45 179.76 2ftu h GLU 94 N -0.85 0.56 -0.18 3.15 5.08 -1.06 -0.38 114.58 120.89 2ftu h GLU 94 Ca -0.07 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 2ftu h GLU 94 Cb 0.60 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2ftu h GLU 94 CO 0.12 0.37 -0.73 1.25 -1.00 0.00 0.00 179.01 179.02 2ftu h LEU 95 N 0.58 0.93 -0.55 1.33 7.12 -0.51 0.87 115.31 125.09 2ftu h LEU 95 Ca 0.21 -0.59 0.05 0.00 0.13 0.00 0.00 57.88 57.69 2ftu h LEU 95 Cb 0.06 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 39.87 2ftu h LEU 95 CO -0.12 1.39 0.28 1.23 -0.13 0.00 0.00 178.44 181.09 2ftu h GLY 96 N 0.62 0.77 0.67 3.75 0.00 -0.77 0.17 103.07 108.29 2ftu h GLY 96 Ca -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.14 2ftu h GLY 96 CO 0.15 0.12 0.12 -1.82 0.00 0.00 0.00 176.54 175.11 2ftu h TYR 97 N 0.54 0.22 0.43 5.60 3.20 -0.88 0.13 116.97 126.20 2ftu h TYR 97 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2ftu h TYR 97 Cb 0.15 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2ftu h TYR 97 CO -0.10 0.09 -0.36 1.15 -1.64 0.00 0.00 178.16 177.30 2ftu h THR 98 N 0.27 0.26 0.14 1.81 2.02 0.55 -1.52 112.91 116.44 2ftu h THR 98 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 2ftu h THR 98 Cb 0.15 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2ftu h THR 98 CO -0.17 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 175.87 2ftu h VAL 99 N -0.79 0.15 -0.47 3.16 2.07 -0.68 -1.97 116.25 117.73 2ftu h VAL 99 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2ftu h VAL 99 Cb 0.69 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 2ftu h VAL 99 CO -0.02 0.00 -0.33 0.11 0.02 0.00 0.00 177.57 177.35 2ftu h LYS 100 N -0.67 -0.21 0.01 1.57 1.57 -0.30 0.39 116.57 118.93 2ftu h LYS 100 Ca 0.02 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ftu h LYS 100 Cb 0.69 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2ftu h LYS 100 CO -0.24 -0.14 -0.01 0.87 -0.57 0.00 0.00 179.45 179.36 2ftu h LYS 101 N -0.22 -0.02 0.15 3.15 1.79 -1.23 0.13 116.57 120.33 2ftu h LYS 101 Ca 0.19 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2ftu h LYS 101 Cb 0.54 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 2ftu h LYS 101 CO -0.59 0.19 -0.19 0.45 -1.08 0.00 0.00 179.45 178.23 2ftu h HIS 102 N -0.22 -0.51 -0.13 -1.35 3.86 -0.54 -1.23 115.15 115.02 2ftu h HIS 102 Ca -0.00 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2ftu h HIS 102 Cb 0.22 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2ftu h HIS 102 CO -0.01 -0.29 0.01 1.25 0.86 0.00 0.00 177.93 179.76 2ftu h LEU 103 N -0.40 -0.02 -1.53 2.43 5.85 -0.24 0.11 115.31 121.52 2ftu h LEU 103 Ca 0.01 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ftu h LEU 103 Cb 0.39 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2ftu h LEU 103 CO -0.08 0.01 0.35 -0.61 -0.34 0.00 0.00 178.44 177.77 2ftu h GLN 104 N 0.07 0.60 0.25 1.25 5.75 -0.57 0.37 115.11 122.83 2ftu h GLN 104 Ca 0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2ftu h GLN 104 Cb 0.06 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.48 2ftu h GLN 104 CO -0.09 0.40 -0.12 0.22 -2.65 0.00 0.00 178.83 176.59 2ftu h ASP 105 N 0.62 -0.29 -0.55 -0.69 3.58 -0.51 -1.50 116.42 117.08 2ftu h ASP 105 Ca 0.21 -0.18 0.11 0.00 0.42 0.00 0.00 57.03 57.59 2ftu h ASP 105 Cb 0.06 0.07 -0.11 0.00 1.72 0.00 0.00 39.33 41.07 2ftu h ASP 105 CO -0.05 0.21 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.26 2ftu h LEU 106 N -0.99 -0.67 -0.12 2.28 3.38 -0.65 0.19 115.31 118.72 2ftu h LEU 106 Ca -0.03 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2ftu h LEU 106 Cb 0.45 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2ftu h LEU 106 CO 0.06 -0.22 -0.06 0.77 0.09 0.00 0.00 178.44 179.08 2ftu h SER 107 N -0.05 0.26 -0.95 -0.43 4.64 -0.39 -1.21 113.55 115.41 2ftu h SER 107 Ca 0.26 -0.41 0.16 0.00 -0.47 0.00 0.00 61.79 61.33 2ftu h SER 107 Cb 0.46 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 62.38 2ftu h SER 107 CO -0.60 0.61 0.56 1.23 -0.87 0.00 0.00 176.83 177.77 2ftu h GLY 108 N -0.09 1.63 0.21 -0.77 0.00 -0.43 0.25 103.07 103.86 2ftu h GLY 108 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2ftu h GLY 108 CO 0.02 -0.01 -0.10 3.21 0.00 0.00 0.00 176.54 179.66 2ftu h ARG 109 N 0.77 -0.27 0.00 4.80 3.08 -0.53 -3.26 114.38 118.97 2ftu h ARG 109 Ca 0.52 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.59 2ftu h ARG 109 Cb 0.73 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2ftu h ARG 109 CO -0.35 -0.18 0.00 -0.89 -1.07 0.00 0.00 179.97 177.48 2ftu n ILE 110 N -2.78 0.84 -0.32 2.04 5.41 -0.47 -2.32 119.36 121.76 2ftu n ILE 110 Ca -0.03 0.22 0.02 0.00 1.00 0.00 0.00 62.75 63.96 2ftu n ILE 110 Cb 0.11 -1.13 0.21 0.00 -0.71 0.00 0.00 39.64 38.12 2ftu n ILE 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2ftu h SER 111 N 0.00 0.97 0.09 4.38 0.02 -0.55 -2.44 113.55 116.02 2ftu h SER 111 Ca 0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2ftu h SER 111 Cb 0.36 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2ftu h SER 111 CO 0.00 0.64 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.20 2ftu h ARG 112 N 1.11 -0.12 -4.45 3.45 9.65 -1.63 -3.51 114.38 118.88 2ftu h ARG 112 Ca 0.39 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 2ftu h ARG 112 Cb 0.11 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2ftu h ARG 112 CO -0.13 -0.08 -1.00 0.00 2.80 0.00 0.00 179.97 181.56 2ftu n ALA 113 N -2.25 -2.00 -3.05 2.80 0.00 -0.92 -5.11 120.51 109.98 2ftu n ALA 113 Ca -0.02 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 2ftu n ALA 113 Cb 0.05 -1.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.90 2ftu n ALA 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2ftu s ARG 114 N -0.86 0.49 1.32 0.00 6.06 -1.26 -5.06 118.95 119.64 2ftu s ARG 114 Ca 0.00 -0.46 -0.18 0.00 -2.50 0.00 0.00 55.73 52.59 2ftu s ARG 114 Cb 0.00 0.20 0.33 0.00 0.06 0.00 0.00 34.95 35.55 2ftu s ARG 114 CO 0.00 -0.12 0.97 -3.38 -2.50 0.00 0.00 175.30 170.27 2ftu s HIS 115 N -1.57 0.27 -1.43 5.12 -3.43 -1.26 -4.14 115.29 108.86 2ftu s HIS 115 Ca -0.14 0.85 -0.12 0.00 -0.80 0.00 0.00 55.06 54.85 2ftu s HIS 115 Cb -0.07 -2.98 0.10 0.00 -1.43 0.00 0.00 32.58 28.20 2ftu s HIS 115 CO 0.01 -4.54 0.64 0.09 -2.00 0.00 0.00 174.74 168.94 2ftu n ASN 116 N -5.35 -3.77 -3.52 7.38 4.13 -1.26 -2.33 115.26 110.54 2ftu n ASN 116 Ca 0.08 -0.60 -0.19 0.00 1.68 0.00 0.00 54.58 55.55 2ftu n ASN 116 Cb 0.57 -3.09 0.07 0.00 -1.54 0.00 0.00 39.78 35.79 2ftu n ASN 116 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2ftu n GLU 117 N -4.03 -6.22 -0.71 3.52 2.13 -1.26 -5.06 120.64 109.01 2ftu n GLU 117 Ca 0.02 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2ftu n GLU 117 Cb 0.52 -5.68 0.00 0.00 0.27 0.00 0.00 31.44 26.55 2ftu n GLU 117 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00