#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 4.48 0.00 5.15 0.11 -1.26 -4.79 120.40 124.09 2ftu s VAL 2 Ca 0.00 1.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.40 2ftu s VAL 2 Cb 0.00 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2ftu s VAL 2 CO 0.00 -0.10 0.00 -0.24 -3.33 0.00 0.00 175.10 171.43 2ftu n SER 3 N -0.10 -1.44 -0.14 3.54 2.88 -1.26 -4.81 113.62 112.30 2ftu n SER 3 Ca 0.03 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2ftu n SER 3 Cb 0.52 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.72 0.00 -3.15 0.66 -0.00 -1.26 -3.26 115.22 108.93 2ftu n HIS 4 Ca 0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 2ftu n HIS 4 Cb 0.10 -0.02 -0.05 0.00 -0.12 0.00 0.00 29.99 29.90 2ftu n HIS 4 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2ftu n GLN 5 N -0.30 0.42 -2.42 1.57 7.27 -1.26 -5.09 117.38 117.57 2ftu n GLN 5 Ca 0.00 -2.78 -0.41 0.00 0.07 0.00 0.00 57.00 53.88 2ftu n GLN 5 Cb 0.04 -1.52 -0.03 0.00 2.41 0.00 0.00 30.24 31.14 2ftu n GLN 5 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2ftu s GLY 6 N -0.13 0.86 0.53 1.69 0.00 -1.20 -4.91 107.32 104.17 2ftu s GLY 6 Ca 0.33 -0.83 0.28 0.00 0.00 0.00 0.00 44.72 44.50 2ftu s GLY 6 CO -0.15 2.78 2.09 -0.97 0.00 0.00 0.00 173.10 176.85 2ftu h TYR 7 N 10.98 0.00 -5.97 1.90 0.05 -1.96 -3.48 116.97 118.50 2ftu h TYR 7 Ca -0.27 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.48 2ftu h TYR 7 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2ftu h TYR 7 CO 1.05 0.10 -1.00 0.43 -1.05 0.00 0.00 178.16 177.70 2ftu n SER 8 N -3.61 -7.00 0.00 3.88 7.64 -1.26 -4.95 113.62 108.31 2ftu n SER 8 Ca -0.02 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2ftu n SER 8 Cb 0.23 -2.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 2ftu n SER 8 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ftu n THR 9 N 0.95 0.00 -2.47 0.44 5.66 -1.26 -5.03 114.28 112.56 2ftu n THR 9 Ca -0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2ftu n THR 9 Cb 0.36 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.16 2ftu n THR 9 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2ftu n GLU 10 N -1.11 0.57 -3.30 1.09 2.13 -1.26 -5.01 120.64 113.75 2ftu n GLU 10 Ca 0.00 -1.96 0.02 0.00 0.66 0.00 0.00 57.16 55.88 2ftu n GLU 10 Cb 0.00 -0.16 -0.02 0.00 0.27 0.00 0.00 31.44 31.53 2ftu n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ftu s ALA 11 N -0.81 -2.13 -0.44 4.31 0.00 -1.26 -4.99 121.76 116.44 2ftu s ALA 11 Ca 0.20 1.93 0.10 0.00 0.00 0.00 0.00 51.96 54.20 2ftu s ALA 11 Cb 0.28 -2.03 0.61 0.00 0.00 0.00 0.00 23.12 21.99 2ftu s ALA 11 CO -0.09 -1.21 1.43 0.39 0.00 0.00 0.00 175.76 176.27 2ftu n GLU 12 N 5.43 3.89 -2.88 0.00 1.02 -1.26 -4.83 120.64 122.01 2ftu n GLU 12 Ca -0.04 -2.33 -0.19 0.00 -0.02 0.00 0.00 57.16 54.58 2ftu n GLU 12 Cb 0.50 -2.07 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 2ftu n GLU 12 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2ftu s PHE 13 N -2.31 2.73 -0.19 -0.32 0.08 -1.26 -4.92 117.98 111.78 2ftu s PHE 13 Ca 0.40 -0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 2ftu s PHE 13 Cb 0.31 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2ftu s PHE 13 CO 0.12 -0.64 0.05 -0.85 -0.10 0.00 0.00 175.22 173.80 2ftu n GLU 14 N -2.05 -2.86 -3.67 0.44 0.28 -1.26 -5.09 120.64 106.44 2ftu n GLU 14 Ca 0.09 2.37 -0.11 0.00 -0.16 0.00 0.00 57.16 59.35 2ftu n GLU 14 Cb 0.59 -4.02 -0.05 0.00 1.43 0.00 0.00 31.44 29.39 2ftu n GLU 14 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2ftu s GLU 15 N -1.19 1.01 0.00 3.44 2.02 -1.26 -5.02 118.70 117.70 2ftu s GLU 15 Ca -0.06 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2ftu s GLU 15 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.68 2ftu s GLU 15 CO 0.56 -0.38 0.03 -0.35 0.02 0.00 0.00 175.26 175.14 2ftu n PRO 16 N -0.05 0.05 0.00 0.39 -0.04 -1.26 -2.87 135.00 131.22 2ftu n PRO 16 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2ftu n PRO 16 Cb 0.63 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 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 0.10 0.00 0.09 0.54 3.00 -1.26 -4.60 116.66 114.53 2ftu n ARG 17 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 2ftu n ARG 17 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.43 2ftu n ARG 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2ftu h VAL 18 N 0.00 0.00 0.00 5.15 2.07 -1.98 -0.18 116.25 121.31 2ftu h VAL 18 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ftu h VAL 18 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2ftu h VAL 18 CO 0.00 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.97 2ftu h ILE 19 N -0.36 0.79 -0.27 4.57 1.08 -1.88 -0.90 117.51 120.53 2ftu h ILE 19 Ca -0.02 -0.09 -0.10 0.00 -0.39 0.00 0.00 64.86 64.26 2ftu h ILE 19 Cb 0.33 1.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.12 2ftu h ILE 19 CO -0.06 0.02 -0.24 0.44 -0.69 0.00 0.00 178.15 177.62 2ftu h ASP 20 N 0.00 0.68 -0.45 1.72 5.19 -1.55 -1.56 116.42 120.45 2ftu h ASP 20 Ca -0.00 -0.46 0.07 0.00 -0.62 0.00 0.00 57.03 56.02 2ftu h ASP 20 Cb 0.05 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.31 2ftu h ASP 20 CO 0.00 1.00 0.10 0.17 -3.12 0.00 0.00 179.24 177.39 2ftu h LEU 21 N 0.37 0.03 -1.18 1.55 8.10 0.30 -0.71 115.31 123.77 2ftu h LEU 21 Ca 0.05 0.07 0.01 0.00 0.11 0.00 0.00 57.88 58.12 2ftu h LEU 21 Cb 0.79 0.10 -0.04 0.00 -0.44 0.00 0.00 40.66 41.07 2ftu h LEU 21 CO 0.06 0.05 0.56 -0.50 -4.11 0.00 0.00 178.44 174.50 2ftu h TRP 22 N 0.24 1.06 0.33 0.17 -0.00 -1.10 -0.63 115.95 116.01 2ftu h TRP 22 Ca 0.22 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.13 2ftu h TRP 22 Cb 0.27 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.06 2ftu h TRP 22 CO -0.21 0.66 -0.27 0.22 -0.00 0.00 0.00 178.44 178.84 2ftu h ASP 23 N 1.14 -0.71 1.07 -3.49 1.82 -0.14 -2.50 116.42 113.61 2ftu h ASP 23 Ca 0.31 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.98 2ftu h ASP 23 Cb -0.12 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 2ftu h ASP 23 CO -0.07 -0.41 -0.12 -0.07 -1.61 0.00 0.00 179.24 176.97 2ftu h LEU 24 N -0.61 0.00 -0.05 2.28 4.07 -1.19 -2.58 115.31 117.24 2ftu h LEU 24 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2ftu h LEU 24 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2ftu h LEU 24 CO -0.02 0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 2ftu n ALA 25 N -2.16 1.16 0.55 1.53 0.00 -0.25 -0.50 120.51 120.84 2ftu n ALA 25 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2ftu n ALA 25 Cb 0.39 -1.07 0.33 0.00 0.00 0.00 0.00 19.45 19.11 2ftu n ALA 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ftu n GLN 26 N -1.53 0.03 0.00 0.00 6.02 -0.97 -4.20 117.38 116.73 2ftu n GLN 26 Ca 0.01 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 2ftu n GLN 26 Cb 0.04 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.80 2ftu n GLN 26 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ftu n SER 27 N -1.47 0.00 0.19 1.08 7.64 0.35 -5.04 113.62 116.36 2ftu n SER 27 Ca 0.04 -1.00 -0.16 0.00 1.01 0.00 0.00 58.87 58.76 2ftu n SER 27 Cb 0.17 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.00 -0.91 0.00 -0.43 0.00 -1.07 -3.42 119.26 113.44 2ftu h ALA 28 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ftu h ALA 28 Cb 0.50 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ftu h ALA 28 CO 0.00 -1.06 0.00 -1.71 0.00 0.00 0.00 179.25 176.48 2ftu n ASN 29 N -5.50 0.00 -1.95 0.00 5.15 -1.26 -5.08 115.26 106.62 2ftu n ASN 29 Ca -0.09 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 2ftu n ASN 29 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.00 0.00 -4.23 1.20 7.99 -1.26 -5.11 117.00 115.59 2ftu n LEU 30 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.78 2ftu n LEU 30 Cb 0.19 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.37 2ftu n LEU 30 CO 0.00 -0.17 -0.49 0.42 -1.51 0.00 0.00 177.39 175.64 2ftu s THR 31 N 0.38 1.44 0.19 -5.08 -4.23 -1.26 -5.01 115.64 102.08 2ftu s THR 31 Ca 0.00 -1.35 0.21 0.00 -1.18 0.00 0.00 61.69 59.37 2ftu s THR 31 Cb 0.00 -1.32 0.18 0.00 1.34 0.00 0.00 72.50 72.69 2ftu s THR 31 CO 0.00 -0.06 1.79 0.44 -0.54 0.00 0.00 174.62 176.25 2ftu h ASP 32 N 4.37 0.00 0.37 3.99 3.32 -1.96 0.24 116.42 126.75 2ftu h ASP 32 Ca -0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 2ftu h ASP 32 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2ftu h ASP 32 CO 0.41 0.31 -0.18 0.11 -1.72 0.00 0.00 179.24 178.17 2ftu h LYS 33 N 0.00 -0.48 -0.97 3.56 1.57 -1.91 -1.12 116.57 117.22 2ftu h LYS 33 Ca -0.00 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.96 2ftu h LYS 33 Cb 0.79 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 33.13 2ftu h LYS 33 CO 0.04 -0.20 0.61 1.49 -0.57 0.00 0.00 179.45 180.82 2ftu h GLU 34 N -0.75 0.78 0.49 3.15 4.22 -1.47 -1.30 114.58 119.69 2ftu h GLU 34 Ca -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 2ftu h GLU 34 Cb 0.51 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ftu h GLU 34 CO 0.08 0.52 -0.24 1.25 -2.18 0.00 0.00 179.01 178.44 2ftu h LEU 35 N 0.80 -0.56 -1.21 1.64 7.12 -0.52 -1.64 115.31 120.94 2ftu h LEU 35 Ca 0.50 0.02 0.12 0.00 0.13 0.00 0.00 57.88 58.66 2ftu h LEU 35 Cb 0.72 0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.92 2ftu h LEU 35 CO -0.27 -0.31 0.58 -0.08 -0.13 0.00 0.00 178.44 178.23 2ftu h GLU 36 N -0.85 0.78 0.28 1.25 4.81 -0.87 0.30 114.58 120.28 2ftu h GLU 36 Ca -0.07 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2ftu h GLU 36 Cb 0.51 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2ftu h GLU 36 CO 0.11 0.52 -0.14 0.00 -0.73 0.00 0.00 179.01 178.77 2ftu h ALA 37 N 1.58 -0.38 -0.69 2.92 0.00 -1.28 -1.11 119.26 120.30 2ftu h ALA 37 Ca 0.44 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2ftu h ALA 37 Cb 0.57 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2ftu h ALA 37 CO -0.21 -0.69 0.39 0.35 0.00 0.00 0.00 179.25 179.09 2ftu h PHE 38 N -0.42 0.72 -0.21 0.00 3.04 -0.23 -1.94 116.94 117.90 2ftu h PHE 38 Ca -0.04 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2ftu h PHE 38 Cb 0.32 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 2ftu h PHE 38 CO -0.05 0.35 0.13 -0.09 -2.02 0.00 0.00 178.31 176.63 2ftu h ARG 39 N 0.72 0.29 -0.13 1.11 1.12 0.09 0.15 114.38 117.74 2ftu h ARG 39 Ca 0.31 -0.03 -0.17 0.00 -1.11 0.00 0.00 59.98 58.98 2ftu h ARG 39 Cb 0.18 -0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2ftu h ARG 39 CO -0.18 0.24 -0.58 1.05 -3.11 0.00 0.00 179.97 177.39 2ftu h GLU 40 N 0.26 0.62 -0.26 0.20 4.11 -1.15 -0.39 114.58 117.97 2ftu h GLU 40 Ca 0.08 -0.50 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 2ftu h GLU 40 Cb 0.02 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2ftu h GLU 40 CO -0.01 1.12 0.15 1.49 0.07 0.00 0.00 179.01 181.82 2ftu h GLU 41 N 0.27 0.35 -0.23 1.06 4.57 -1.12 -1.52 114.58 117.96 2ftu h GLU 41 Ca -0.04 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 2ftu h GLU 41 Cb 1.22 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2ftu h GLU 41 CO 0.12 0.29 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.95 2ftu h LEU 42 N 0.31 0.42 -0.53 1.64 -0.00 -0.73 -1.49 115.31 114.93 2ftu h LEU 42 Ca 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2ftu h LEU 42 Cb 0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 2ftu h LEU 42 CO -0.02 0.65 0.35 0.50 -0.00 0.00 0.00 178.44 179.93 2ftu h LYS 43 N 0.38 0.70 0.10 1.13 3.11 -0.39 0.47 116.57 122.06 2ftu h LYS 43 Ca 0.06 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2ftu h LYS 43 Cb 0.61 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 2ftu h LYS 43 CO 0.04 0.47 -0.10 0.45 -2.81 0.00 0.00 179.45 177.50 2ftu h HIS 44 N 0.72 -0.26 0.22 1.91 3.86 -0.93 -1.99 115.15 118.69 2ftu h HIS 44 Ca 0.19 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2ftu h HIS 44 Cb -0.08 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 2ftu h HIS 44 CO -0.04 -0.16 -0.29 0.35 0.86 0.00 0.00 177.93 178.66 2ftu h PHE 45 N -0.22 -0.77 -0.71 2.45 3.57 -0.84 -1.15 116.94 119.27 2ftu h PHE 45 Ca 0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2ftu h PHE 45 Cb 0.22 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2ftu h PHE 45 CO -0.12 -0.41 0.23 1.05 -2.23 0.00 0.00 178.31 176.84 2ftu h GLU 46 N -0.57 1.08 -0.62 1.11 -0.00 -0.06 0.18 114.58 115.71 2ftu h GLU 46 Ca 0.00 -0.22 -0.05 0.00 -0.00 0.00 0.00 59.36 59.10 2ftu h GLU 46 Cb 0.55 -0.16 -0.03 0.00 -0.00 0.00 0.00 28.75 29.11 2ftu h GLU 46 CO -0.10 0.91 0.18 0.00 -0.00 0.00 0.00 179.01 180.00 2ftu h ALA 47 N 1.21 0.81 0.03 1.06 0.00 -1.31 -1.87 119.26 119.19 2ftu h ALA 47 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ftu h ALA 47 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ftu h ALA 47 CO -0.01 0.50 -0.01 -0.22 0.00 0.00 0.00 179.25 179.50 2ftu h LYS 48 N 0.89 -0.04 -0.47 0.00 1.63 0.34 -1.56 116.57 117.36 2ftu h LYS 48 Ca 0.20 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 2ftu h LYS 48 Cb 0.31 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2ftu h LYS 48 CO -0.00 0.02 0.06 0.97 -3.45 0.00 0.00 179.45 177.04 2ftu h ILE 49 N -0.08 1.22 -0.74 2.00 6.09 -0.73 0.65 117.51 125.91 2ftu h ILE 49 Ca -0.00 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 2ftu h ILE 49 Cb 0.07 0.80 -0.04 0.00 0.47 0.00 0.00 36.82 38.13 2ftu h ILE 49 CO 0.01 0.31 0.47 -0.33 -3.07 0.00 0.00 178.15 175.54 2ftu h GLU 50 N 0.71 0.99 -0.31 2.19 4.39 -1.15 0.54 114.58 121.94 2ftu h GLU 50 Ca 0.15 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.59 2ftu h GLU 50 Cb 0.35 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2ftu h GLU 50 CO 0.01 0.68 -0.52 0.87 -1.16 0.00 0.00 179.01 178.89 2ftu h LYS 51 N 1.01 0.89 0.04 2.33 1.79 -0.58 0.12 116.57 122.17 2ftu h LYS 51 Ca 0.27 -0.55 0.03 0.00 -2.18 0.00 0.00 60.65 58.22 2ftu h LYS 51 Cb -0.07 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 2ftu h LYS 51 CO -0.05 1.19 -0.42 1.25 -1.08 0.00 0.00 179.45 180.33 2ftu h HIS 52 N 0.69 -1.20 -0.59 -1.35 -0.00 -0.70 -0.95 115.15 111.06 2ftu h HIS 52 Ca 0.02 0.04 0.12 0.00 -0.00 0.00 0.00 60.37 60.54 2ftu h HIS 52 Cb 1.13 0.52 -0.11 0.00 -0.00 0.00 0.00 27.41 28.94 2ftu h HIS 52 CO 0.07 -0.51 -0.20 -0.97 -0.00 0.00 0.00 177.93 176.32 2ftu h ASN 53 N -0.60 -0.73 -0.29 3.26 -0.73 -0.85 0.26 115.58 115.90 2ftu h ASN 53 Ca 0.04 0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 2ftu h ASN 53 Cb 0.66 0.43 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 2ftu h ASN 53 CO -0.29 -0.24 0.15 -0.74 -0.37 0.00 0.00 177.43 175.94 2ftu h HIS 54 N -0.06 0.46 0.46 0.67 2.76 -0.25 0.13 115.15 119.32 2ftu h HIS 54 Ca 0.27 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2ftu h HIS 54 Cb 0.48 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2ftu h HIS 54 CO -0.53 0.36 -0.22 1.88 -1.30 0.00 0.00 177.93 178.12 2ftu h TYR 55 N 0.47 -0.57 0.00 5.26 -1.99 0.20 -1.96 116.97 118.38 2ftu h TYR 55 Ca 0.12 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 2ftu h TYR 55 Cb 0.08 0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 2ftu h TYR 55 CO 0.00 -0.25 -0.04 -0.56 -0.00 0.00 0.00 178.16 177.31 2ftu h GLN 56 N -0.98 0.00 0.63 4.88 -0.00 -0.27 0.50 115.11 119.88 2ftu h GLN 56 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 2ftu h GLN 56 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.07 2ftu h GLN 56 CO 0.10 0.04 -0.30 0.87 -0.00 0.00 0.00 178.83 179.54 2ftu h LYS 57 N 0.00 -0.82 0.00 0.06 1.79 -0.83 -1.91 116.57 114.85 2ftu h LYS 57 Ca -0.00 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2ftu h LYS 57 Cb 0.10 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2ftu h LYS 57 CO 0.01 -0.55 0.00 1.96 -1.08 0.00 0.00 179.45 179.79 2ftu h GLN 58 N -1.05 0.00 0.58 3.15 1.08 -0.35 -1.84 115.11 116.67 2ftu h GLN 58 Ca -0.09 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2ftu h GLN 58 Cb 0.65 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2ftu h GLN 58 CO 0.14 0.00 -0.28 1.25 -0.95 0.00 0.00 178.83 179.00 2ftu h LEU 59 N 0.00 -0.65 -0.82 1.46 5.85 0.07 0.42 115.31 121.64 2ftu h LEU 59 Ca 0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ftu h LEU 59 Cb 0.16 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2ftu h LEU 59 CO 0.00 -0.34 0.52 -0.08 -0.34 0.00 0.00 178.44 178.20 2ftu h GLU 60 N -1.02 0.99 -0.19 1.25 4.57 -1.04 0.23 114.58 119.37 2ftu h GLU 60 Ca -0.08 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.89 2ftu h GLU 60 Cb 0.59 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2ftu h GLU 60 CO 0.13 0.65 -0.47 0.82 -1.18 0.00 0.00 179.01 178.97 2ftu h ILE 61 N 1.02 1.32 -0.65 2.32 2.04 -1.42 -1.85 117.51 120.29 2ftu h ILE 61 Ca 0.33 -1.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 2ftu h ILE 61 Cb 0.02 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2ftu h ILE 61 CO -0.12 0.53 0.20 0.00 0.00 0.00 0.00 178.15 178.76 2ftu h ALA 62 N 0.58 1.12 0.27 1.87 0.00 -0.51 -1.92 119.26 120.67 2ftu h ALA 62 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2ftu h ALA 62 Cb 1.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ftu h ALA 62 CO 0.10 0.60 -0.30 1.25 0.00 0.00 0.00 179.25 180.90 2ftu h HIS 63 N 0.96 -0.84 -0.72 0.00 6.17 -0.33 0.85 115.15 121.24 2ftu h HIS 63 Ca 0.21 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.31 2ftu h HIS 63 Cb 0.28 0.33 -0.04 0.00 2.52 0.00 0.00 27.41 30.51 2ftu h HIS 63 CO 0.02 -0.39 0.47 1.49 0.71 0.00 0.00 177.93 180.23 2ftu h GLU 64 N -0.58 0.94 -0.19 5.26 4.81 -1.32 0.10 114.58 123.60 2ftu h GLU 64 Ca -0.03 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2ftu h GLU 64 Cb 0.51 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2ftu h GLU 64 CO -0.05 0.62 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.50 2ftu h LYS 65 N 0.96 -0.13 -0.13 1.92 3.11 -1.19 -1.58 116.57 119.53 2ftu h LYS 65 Ca 0.27 0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 58.00 2ftu h LYS 65 Cb -0.09 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 2ftu h LYS 65 CO -0.06 -0.09 -0.44 1.37 -2.81 0.00 0.00 179.45 177.42 2ftu h LEU 66 N -0.13 0.33 -0.70 5.20 -0.00 -0.27 -1.25 115.31 118.48 2ftu h LEU 66 Ca 0.11 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2ftu h LEU 66 Cb 0.30 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2ftu h LEU 66 CO -0.27 0.73 0.32 -0.09 -0.00 0.00 0.00 178.44 179.13 2ftu h ARG 67 N 0.25 1.01 -0.47 0.17 2.43 -0.31 0.34 114.38 117.81 2ftu h ARG 67 Ca 0.02 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 58.90 2ftu h ARG 67 Cb 0.88 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2ftu h ARG 67 CO 0.07 0.81 -0.23 0.45 -1.51 0.00 0.00 179.97 179.56 2ftu h HIS 68 N 0.97 1.13 0.00 2.20 3.86 -1.23 -3.23 115.15 118.86 2ftu h HIS 68 Ca 0.24 -0.28 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 2ftu h HIS 68 Cb 0.14 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2ftu h HIS 68 CO 0.01 1.10 -0.35 0.00 0.86 0.00 0.00 177.93 179.55 2ftu h ALA 69 N 0.85 1.29 -0.38 2.45 0.00 0.06 -2.83 119.26 120.71 2ftu h ALA 69 Ca 0.10 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2ftu h ALA 69 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ftu h ALA 69 CO 0.07 0.43 0.26 0.93 0.00 0.00 0.00 179.25 180.94 2ftu h GLU 70 N 0.00 0.26 0.00 0.00 5.08 -0.40 -0.31 114.58 119.21 2ftu h GLU 70 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2ftu h GLU 70 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2ftu h GLU 70 CO 0.05 0.17 0.00 0.45 -1.00 0.00 0.00 179.01 178.67 2ftu n SER 71 N -4.48 0.00 0.12 1.42 2.88 -1.07 -2.04 113.62 110.46 2ftu n SER 71 Ca 0.05 0.31 -0.22 0.00 -1.33 0.00 0.00 58.87 57.67 2ftu n SER 71 Cb 0.26 -0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 63.21 2ftu n SER 71 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2ftu h VAL 72 N 0.00 1.33 -0.35 2.46 2.07 -1.23 -3.49 116.25 117.04 2ftu h VAL 72 Ca 0.00 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2ftu h VAL 72 Cb 0.08 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2ftu h VAL 72 CO 0.00 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.01 2ftu n GLY 73 N 1.56 0.81 0.12 2.17 0.00 -0.87 -5.02 105.19 103.97 2ftu n GLY 73 Ca -0.14 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 2ftu n GLY 73 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ftu h ASP 74 N 0.00 0.53 0.00 1.61 1.82 -1.82 -3.48 116.42 115.09 2ftu h ASP 74 Ca 0.00 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2ftu h ASP 74 Cb 0.80 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2ftu h ASP 74 CO 0.00 1.50 0.00 0.61 -1.61 0.00 0.00 179.24 179.74 2ftu n GLY 75 N 1.63 1.23 0.23 -0.78 0.00 -1.26 -4.36 105.19 101.89 2ftu n GLY 75 Ca -0.14 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2ftu n GLY 75 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ftu h GLU 76 N 0.00 0.71 -0.79 1.61 4.39 -1.99 0.16 114.58 118.68 2ftu h GLU 76 Ca 0.00 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 2ftu h GLU 76 Cb 0.00 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2ftu h GLU 76 CO 0.00 1.05 0.47 -0.09 -1.16 0.00 0.00 179.01 179.29 2ftu h ARG 77 N 0.56 1.07 0.31 2.33 2.43 -2.00 -1.43 114.38 117.64 2ftu h ARG 77 Ca 0.02 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2ftu h ARG 77 Cb 1.09 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2ftu h ARG 77 CO 0.11 0.76 -0.18 0.28 -1.51 0.00 0.00 179.97 179.43 2ftu h VAL 78 N 1.08 0.61 -0.13 0.20 2.07 -1.69 -1.43 116.25 116.97 2ftu h VAL 78 Ca 0.28 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.83 2ftu h VAL 78 Cb -0.03 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 2ftu h VAL 78 CO -0.05 0.00 -0.37 -1.28 0.02 0.00 0.00 177.57 175.89 2ftu h SER 79 N -0.47 -1.19 -0.66 0.57 0.87 -0.47 0.88 113.55 113.08 2ftu h SER 79 Ca -0.03 0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.74 2ftu h SER 79 Cb 0.39 0.47 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 2ftu h SER 79 CO 0.04 -0.31 0.36 -0.09 -0.53 0.00 0.00 176.83 176.29 2ftu h ARG 80 N -0.37 0.63 -0.10 2.24 2.43 -1.29 -1.10 114.38 116.82 2ftu h ARG 80 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ftu h ARG 80 Cb 0.45 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2ftu h ARG 80 CO -0.32 0.42 0.07 0.77 -1.51 0.00 0.00 179.97 179.40 2ftu h SER 81 N 0.65 0.12 0.40 -3.80 0.02 -0.52 -1.58 113.55 108.84 2ftu h SER 81 Ca 0.30 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.07 2ftu h SER 81 Cb 0.22 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2ftu h SER 81 CO -0.20 0.11 -0.66 -0.09 -1.14 0.00 0.00 176.83 174.85 2ftu h ARG 82 N 0.12 0.24 -0.03 3.45 2.43 -0.22 0.97 114.38 121.35 2ftu h ARG 82 Ca 0.04 -0.18 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 2ftu h ARG 82 Cb 0.01 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2ftu h ARG 82 CO -0.01 0.81 -0.51 1.49 -1.51 0.00 0.00 179.97 180.25 2ftu h GLU 83 N 0.17 0.39 -0.31 0.20 4.81 -1.21 -0.75 114.58 117.87 2ftu h GLU 83 Ca -0.01 -0.39 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 2ftu h GLU 83 Cb 1.19 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2ftu h GLU 83 CO 0.10 1.05 -0.10 -0.22 -0.73 0.00 0.00 179.01 179.11 2ftu h LYS 84 N -0.12 0.52 0.03 1.92 3.11 -1.27 -1.72 116.57 119.04 2ftu h LYS 84 Ca -0.06 -0.15 -0.00 0.00 -2.81 0.00 0.00 60.65 57.64 2ftu h LYS 84 Cb 1.21 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 2ftu h LYS 84 CO 0.10 0.63 -0.02 1.25 -2.81 0.00 0.00 179.45 178.60 2ftu h HIS 85 N 0.48 -0.04 -0.82 1.91 2.76 -0.72 -0.10 115.15 118.63 2ftu h HIS 85 Ca 0.09 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2ftu h HIS 85 Cb 0.47 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.40 2ftu h HIS 85 CO 0.02 -0.01 0.52 0.00 -1.30 0.00 0.00 177.93 177.16 2ftu h ALA 86 N 0.91 1.09 -0.04 5.26 0.00 -0.73 0.16 119.26 125.90 2ftu h ALA 86 Ca -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2ftu h ALA 86 Cb 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2ftu h ALA 86 CO 0.01 0.33 -0.35 1.25 0.00 0.00 0.00 179.25 180.48 2ftu h LEU 87 N 1.00 -1.08 -0.00 0.00 5.85 -1.17 -0.03 115.31 119.88 2ftu h LEU 87 Ca 0.33 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.21 2ftu h LEU 87 Cb 0.04 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2ftu h LEU 87 CO -0.12 -0.40 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.44 2ftu h LEU 88 N -0.49 -0.19 -0.16 2.25 3.38 0.10 -1.85 115.31 118.36 2ftu h LEU 88 Ca 0.07 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2ftu h LEU 88 Cb 0.59 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2ftu h LEU 88 CO -0.31 -0.10 -0.18 -0.08 0.09 0.00 0.00 178.44 177.87 2ftu h GLU 89 N -0.11 -0.20 0.43 1.13 4.22 -0.58 0.83 114.58 120.29 2ftu h GLU 89 Ca 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 2ftu h GLU 89 Cb 0.15 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2ftu h GLU 89 CO -0.07 -0.13 -0.49 0.78 -2.18 0.00 0.00 179.01 176.92 2ftu h GLY 90 N -0.21 -1.17 1.88 1.92 0.00 -0.79 0.48 103.07 105.17 2ftu h GLY 90 Ca 0.11 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 48.00 2ftu h GLY 90 CO -0.28 -0.35 0.06 -0.09 0.00 0.00 0.00 176.54 175.88 2ftu h ARG 91 N -0.93 0.17 0.61 4.80 9.65 -1.25 -1.46 114.38 125.96 2ftu h ARG 91 Ca -0.05 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2ftu h ARG 91 Cb 0.83 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.38 2ftu h ARG 91 CO -0.10 0.13 -0.29 1.15 2.80 0.00 0.00 179.97 183.66 2ftu h THR 92 N 0.17 0.30 -0.85 0.20 2.02 0.43 0.12 112.91 115.29 2ftu h THR 92 Ca 0.04 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 67.02 2ftu h THR 92 Cb 0.02 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 2ftu h THR 92 CO -0.01 0.03 0.52 0.11 0.37 0.00 0.00 175.52 176.55 2ftu h LYS 93 N -1.01 0.92 -0.20 6.66 1.57 -0.75 0.08 116.57 123.84 2ftu h LYS 93 Ca -0.08 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2ftu h LYS 93 Cb 0.67 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2ftu h LYS 93 CO 0.14 0.61 -0.01 0.93 -0.57 0.00 0.00 179.45 180.54 2ftu h GLU 94 N 0.94 0.36 -0.13 3.15 5.08 -1.24 -1.63 114.58 121.11 2ftu h GLU 94 Ca 0.38 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2ftu h GLU 94 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2ftu h GLU 94 CO -0.18 0.57 -0.58 1.25 -1.00 0.00 0.00 179.01 179.06 2ftu h LEU 95 N 0.11 0.49 -0.57 1.33 7.12 -0.40 -0.77 115.31 122.62 2ftu h LEU 95 Ca 0.06 -0.27 0.08 0.00 0.13 0.00 0.00 57.88 57.88 2ftu h LEU 95 Cb 0.41 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.33 2ftu h LEU 95 CO 0.01 0.96 0.21 1.23 -0.13 0.00 0.00 178.44 180.72 2ftu h GLY 96 N 1.21 0.79 1.00 3.75 0.00 -0.97 0.19 103.07 109.04 2ftu h GLY 96 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2ftu h GLY 96 CO 0.10 -0.01 0.34 -1.82 0.00 0.00 0.00 176.54 175.15 2ftu h TYR 97 N 0.40 0.69 0.22 5.60 5.03 -0.93 0.82 116.97 128.80 2ftu h TYR 97 Ca 0.28 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 2ftu h TYR 97 Cb 0.33 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 2ftu h TYR 97 CO -0.17 0.46 -0.13 1.15 -1.32 0.00 0.00 178.16 178.16 2ftu h THR 98 N 0.72 0.73 -0.42 1.81 2.02 -0.18 -1.69 112.91 115.90 2ftu h THR 98 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 2ftu h THR 98 Cb -0.04 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 2ftu h THR 98 CO -0.04 0.00 -0.52 0.58 0.37 0.00 0.00 175.52 175.91 2ftu h VAL 99 N -0.33 0.00 -0.59 3.16 2.07 -0.58 -1.82 116.25 118.16 2ftu h VAL 99 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 2ftu h VAL 99 Cb 0.28 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.95 2ftu h VAL 99 CO 0.03 0.00 -0.54 0.50 0.02 0.00 0.00 177.57 177.58 2ftu h LYS 100 N -0.34 -0.26 -0.09 1.57 3.64 -0.22 0.14 116.57 121.01 2ftu h LYS 100 Ca 0.07 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2ftu h LYS 100 Cb 0.54 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2ftu h LYS 100 CO -0.58 -0.17 0.05 0.87 -2.27 0.00 0.00 179.45 177.35 2ftu h LYS 101 N -0.27 0.13 -0.06 1.90 1.57 -1.14 -1.69 116.57 117.01 2ftu h LYS 101 Ca 0.12 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2ftu h LYS 101 Cb 0.55 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2ftu h LYS 101 CO -0.70 0.15 -0.48 0.45 -0.57 0.00 0.00 179.45 178.30 2ftu h HIS 102 N 0.07 -1.38 -0.88 -1.35 3.86 -0.37 -1.43 115.15 113.68 2ftu h HIS 102 Ca 0.03 0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2ftu h HIS 102 Cb 0.05 0.61 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 2ftu h HIS 102 CO -0.05 -0.53 0.57 -0.07 0.86 0.00 0.00 177.93 178.71 2ftu h LEU 103 N -0.59 0.94 -0.20 2.43 3.38 -0.51 0.26 115.31 121.02 2ftu h LEU 103 Ca 0.04 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2ftu h LEU 103 Cb 0.68 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2ftu h LEU 103 CO -0.37 0.65 -0.05 1.56 0.09 0.00 0.00 178.44 180.31 2ftu h GLN 104 N 1.10 0.00 0.11 1.13 4.20 -0.95 -0.23 115.11 120.47 2ftu h GLN 104 Ca 0.35 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.90 2ftu h GLN 104 Cb 0.01 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.80 2ftu h GLN 104 CO -0.12 0.00 -0.71 0.22 -0.67 0.00 0.00 178.83 177.55 2ftu h ASP 105 N 0.00 0.36 0.05 1.46 1.82 -0.39 -0.13 116.42 119.59 2ftu h ASP 105 Ca 0.10 -0.95 0.02 0.00 -0.39 0.00 0.00 57.03 55.81 2ftu h ASP 105 Cb 0.14 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 39.99 2ftu h ASP 105 CO -0.20 1.34 -0.43 -0.07 -1.61 0.00 0.00 179.24 178.26 2ftu h LEU 106 N -0.51 -1.30 -0.86 2.28 3.38 -0.60 0.41 115.31 118.11 2ftu h LEU 106 Ca -0.13 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2ftu h LEU 106 Cb 1.52 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 2ftu h LEU 106 CO 0.11 -0.48 0.20 -1.28 0.09 0.00 0.00 178.44 177.08 2ftu h SER 107 N -0.62 0.98 -0.93 -0.43 0.87 -1.10 0.16 113.55 112.47 2ftu h SER 107 Ca 0.03 -0.18 0.18 0.00 -1.23 0.00 0.00 61.79 60.59 2ftu h SER 107 Cb 0.68 -0.26 -0.17 0.00 -0.44 0.00 0.00 62.40 62.21 2ftu h SER 107 CO -0.29 0.92 -0.25 1.23 -0.53 0.00 0.00 176.83 177.90 2ftu h GLY 108 N 1.07 0.59 0.03 5.77 0.00 -0.25 -0.82 103.07 109.46 2ftu h GLY 108 Ca 0.22 0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 2ftu h GLY 108 CO -0.01 -0.33 -0.00 3.21 0.00 0.00 0.00 176.54 179.41 2ftu h ARG 109 N -0.00 -0.01 -0.70 4.80 2.47 0.38 -3.36 114.38 117.96 2ftu h ARG 109 Ca 0.43 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.25 2ftu h ARG 109 Cb 0.67 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.92 2ftu h ARG 109 CO -0.96 0.82 0.32 0.82 0.56 0.00 0.00 179.97 181.54 2ftu h ILE 110 N -0.97 0.80 -0.38 2.04 1.08 -0.55 -1.00 117.51 118.53 2ftu h ILE 110 Ca -0.00 -0.18 0.10 0.00 -0.39 0.00 0.00 64.86 64.39 2ftu h ILE 110 Cb 0.83 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2ftu h ILE 110 CO 0.00 0.10 0.27 0.28 -0.69 0.00 0.00 178.15 178.11 2ftu h SER 111 N 0.54 0.03 0.07 1.72 0.02 -1.31 -1.89 113.55 112.73 2ftu h SER 111 Ca 0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2ftu h SER 111 Cb 0.41 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2ftu h SER 111 CO -0.30 0.02 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.29 2ftu h ARG 112 N 0.03 -0.08 -4.58 3.45 9.65 -1.38 -3.51 114.38 117.96 2ftu h ARG 112 Ca 0.18 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2ftu h ARG 112 Cb 0.68 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2ftu h ARG 112 CO -0.01 -0.06 -0.67 0.00 2.80 0.00 0.00 179.97 182.03 2ftu n ALA 113 N -2.45 -1.75 -2.59 2.80 0.00 -0.52 -5.06 120.51 110.94 2ftu n ALA 113 Ca -0.01 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 2ftu n ALA 113 Cb 0.03 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 2ftu n ALA 113 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ftu s ARG 114 N -0.39 2.45 0.48 0.00 1.70 -1.26 -5.03 118.95 116.90 2ftu s ARG 114 Ca -0.02 -0.80 0.18 0.00 -0.47 0.00 0.00 55.73 54.62 2ftu s ARG 114 Cb 0.00 -2.45 1.19 0.00 -0.57 0.00 0.00 34.95 33.12 2ftu s ARG 114 CO 0.06 0.58 2.02 0.45 -1.08 0.00 0.00 175.30 177.32 2ftu h HIS 115 N 4.31 0.22 0.54 5.89 3.86 -1.99 -3.20 115.15 124.78 2ftu h HIS 115 Ca -0.48 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.71 2ftu h HIS 115 Cb 1.17 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.57 2ftu h HIS 115 CO 0.58 0.11 -0.26 -0.91 0.86 0.00 0.00 177.93 178.31 2ftu h ASN 116 N 0.21 -0.61 -1.13 2.45 4.21 -1.98 -3.45 115.58 115.28 2ftu h ASN 116 Ca 0.21 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.74 2ftu h ASN 116 Cb 0.57 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 2ftu h ASN 116 CO -0.04 -0.35 0.00 1.21 -1.29 0.00 0.00 177.43 176.97 2ftu n GLU 117 N -4.46 0.00 0.00 0.81 2.13 -1.21 -4.42 120.64 113.49 2ftu n GLU 117 Ca -0.09 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.80 2ftu n GLU 117 Cb 0.29 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.06 2ftu n GLU 117 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00