#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftu n VAL 2 N 0.00 1.51 -2.28 5.15 0.31 -1.26 -3.65 118.33 118.10 2ftu n VAL 2 Ca 0.00 -0.38 -0.04 0.00 -0.01 0.00 0.00 64.34 63.92 2ftu n VAL 2 Cb 0.00 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 30.92 2ftu n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2ftu n SER 3 N 1.31 -1.52 -4.16 4.52 2.88 -1.26 -4.63 113.62 110.76 2ftu n SER 3 Ca 0.05 0.96 -0.21 0.00 -1.33 0.00 0.00 58.87 58.33 2ftu n SER 3 Cb 0.38 -4.02 -0.14 0.00 -0.75 0.00 0.00 64.21 59.68 2ftu n SER 3 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2ftu s HIS 4 N -0.57 1.33 0.34 0.66 -3.43 -1.24 -5.09 115.29 107.30 2ftu s HIS 4 Ca -0.18 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 2ftu s HIS 4 Cb 0.01 -0.80 0.00 0.00 -1.43 0.00 0.00 32.58 30.36 2ftu s HIS 4 CO 0.56 0.04 0.00 0.94 -2.00 0.00 0.00 174.74 174.28 2ftu n GLN 5 N 2.03 -2.93 -3.72 -0.38 -0.06 -1.26 -5.04 117.38 106.02 2ftu n GLN 5 Ca -0.17 1.93 -0.10 0.00 -2.00 0.00 0.00 57.00 56.66 2ftu n GLN 5 Cb 0.55 -3.57 -0.04 0.00 -4.06 0.00 0.00 30.24 23.11 2ftu n GLN 5 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2ftu s GLY 6 N -7.17 -0.09 0.32 1.69 0.00 -1.26 -5.03 107.32 95.77 2ftu s GLY 6 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2ftu s GLY 6 CO 0.00 -0.35 0.00 -1.72 0.00 0.00 0.00 173.10 171.03 2ftu n TYR 7 N -0.28 -2.28 -3.74 1.90 4.02 -1.26 -5.12 117.16 110.40 2ftu n TYR 7 Ca -0.12 1.24 -0.13 0.00 -0.01 0.00 0.00 57.90 58.87 2ftu n TYR 7 Cb 0.63 -2.15 -0.10 0.00 -0.02 0.00 0.00 39.34 37.71 2ftu n TYR 7 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ftu s SER 8 N -4.37 -0.39 0.42 7.72 0.15 -1.26 -5.06 113.70 110.92 2ftu s SER 8 Ca 0.00 0.70 0.09 0.00 0.70 0.00 0.00 55.95 57.44 2ftu s SER 8 Cb 0.00 0.74 0.92 0.00 -1.71 0.00 0.00 66.02 65.96 2ftu s SER 8 CO 0.00 -0.19 2.05 0.00 1.20 0.00 0.00 173.24 176.30 2ftu h THR 9 N 4.39 1.10 0.00 6.45 1.03 -2.00 -3.40 112.91 120.48 2ftu h THR 9 Ca -0.27 -0.25 -0.00 0.00 -0.01 0.00 0.00 66.41 65.88 2ftu h THR 9 Cb 1.18 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2ftu h THR 9 CO 0.28 0.11 -0.01 -0.62 -0.01 0.00 0.00 175.52 175.27 2ftu n GLU 10 N -4.46 0.02 -4.03 0.00 -0.58 -1.26 -4.81 120.64 105.52 2ftu n GLU 10 Ca 0.01 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.63 2ftu n GLU 10 Cb 0.10 0.26 -0.07 0.00 -0.57 0.00 0.00 31.44 31.15 2ftu n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ftu s ALA 11 N 0.00 0.22 -0.07 0.62 0.00 -1.26 -4.60 121.76 116.68 2ftu s ALA 11 Ca 0.00 -1.08 0.15 0.00 0.00 0.00 0.00 51.96 51.03 2ftu s ALA 11 Cb 0.01 1.03 0.28 0.00 0.00 0.00 0.00 23.12 24.44 2ftu s ALA 11 CO -0.00 -0.68 1.14 0.39 0.00 0.00 0.00 175.76 176.61 2ftu n GLU 12 N -0.27 0.36 0.00 0.00 1.02 -1.26 -4.67 120.64 115.83 2ftu n GLU 12 Ca -0.04 -1.75 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 2ftu n GLU 12 Cb 0.63 0.02 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 -0.03 0.00 0.00 -0.32 3.72 -1.26 -4.94 117.46 114.63 2ftu n PHE 13 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2ftu n PHE 13 Cb 0.92 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 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 -0.76 0.00 -3.58 -1.08 4.71 -1.26 -2.10 120.64 116.57 2ftu n GLU 14 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 2ftu n GLU 14 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 2ftu n GLU 14 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2ftu n GLU 15 N 0.00 1.08 0.00 3.49 0.28 -1.26 -4.89 120.64 119.33 2ftu n GLU 15 Ca 0.00 -3.83 0.00 0.00 -0.16 0.00 0.00 57.16 53.17 2ftu n GLU 15 Cb 0.00 -1.93 0.00 0.00 1.43 0.00 0.00 31.44 30.94 2ftu n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2ftu n PRO 16 N 2.21 0.00 0.00 3.44 -0.04 -0.89 -4.89 135.00 134.83 2ftu n PRO 16 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2ftu n PRO 16 Cb 0.43 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 2ftu n PRO 16 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2ftu n ARG 17 N -0.24 -0.02 -0.04 0.54 -4.01 -1.26 -4.82 116.66 106.81 2ftu n ARG 17 Ca 0.00 -0.02 -0.15 0.00 -1.04 0.00 0.00 57.85 56.64 2ftu n ARG 17 Cb 0.00 -0.48 -0.13 0.00 -3.04 0.00 0.00 32.46 28.80 2ftu n ARG 17 CO 0.00 0.00 0.00 -0.39 -3.04 0.00 0.00 177.63 174.20 2ftu h VAL 18 N 0.89 1.70 -1.01 8.89 -1.51 -1.97 -1.73 116.25 121.52 2ftu h VAL 18 Ca 0.00 -2.30 0.10 0.00 -1.23 0.00 0.00 66.70 63.28 2ftu h VAL 18 Cb 0.44 3.25 -0.08 0.00 -2.13 0.00 0.00 31.29 32.78 2ftu h VAL 18 CO 0.00 0.61 0.64 0.40 -1.23 0.00 0.00 177.57 177.99 2ftu h ILE 19 N -0.81 0.98 -0.34 7.19 1.08 -1.91 -1.62 117.51 122.07 2ftu h ILE 19 Ca -0.03 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 2ftu h ILE 19 Cb 1.10 -0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2ftu h ILE 19 CO 0.03 0.19 0.19 -0.78 -0.69 0.00 0.00 178.15 177.09 2ftu h ASP 20 N 1.06 0.43 -0.69 1.72 3.58 -1.87 0.27 116.42 120.93 2ftu h ASP 20 Ca 0.48 -0.09 0.13 0.00 0.42 0.00 0.00 57.03 57.97 2ftu h ASP 20 Cb 0.38 -0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.23 2ftu h ASP 20 CO -0.23 0.40 0.21 -0.07 -2.88 0.00 0.00 179.24 176.67 2ftu h LEU 21 N 0.43 0.13 -0.37 2.28 4.07 -0.65 0.65 115.31 121.87 2ftu h LEU 21 Ca 0.12 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2ftu h LEU 21 Cb 0.06 0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2ftu h LEU 21 CO -0.02 0.05 0.00 0.79 -1.08 0.00 0.00 178.44 178.18 2ftu n TRP 22 N -5.07 0.83 0.15 1.13 8.01 -0.57 -1.15 117.44 120.77 2ftu n TRP 22 Ca 0.12 0.28 -0.06 0.00 -1.31 0.00 0.00 57.50 56.53 2ftu n TRP 22 Cb 0.38 -0.96 -0.03 0.00 -2.01 0.00 0.00 31.31 28.69 2ftu n TRP 22 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.69 176.90 2ftu h ASP 23 N 0.00 -0.33 1.27 -0.99 1.82 0.18 -3.32 116.42 115.04 2ftu h ASP 23 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2ftu h ASP 23 Cb 0.53 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2ftu h ASP 23 CO 0.00 -0.21 0.00 0.17 -1.61 0.00 0.00 179.24 177.59 2ftu h LEU 24 N -0.46 0.00 -0.93 2.28 -0.00 -1.26 -2.91 115.31 112.04 2ftu h LEU 24 Ca -0.04 0.00 0.25 0.00 -0.00 0.00 0.00 57.88 58.09 2ftu h LEU 24 Cb 0.30 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.83 2ftu h LEU 24 CO 0.07 0.00 0.42 0.00 -0.00 0.00 0.00 178.44 178.92 2ftu h ALA 25 N 2.12 1.55 0.00 0.17 0.00 -1.24 -0.79 119.26 121.07 2ftu h ALA 25 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ftu h ALA 25 Cb 0.63 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ftu h ALA 25 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2ftu n GLN 26 N -5.07 0.25 -0.08 0.00 10.64 -1.10 -1.36 117.38 120.65 2ftu n GLN 26 Ca 0.24 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2ftu n GLN 26 Cb 0.74 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.64 2ftu n GLN 26 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2ftu n SER 27 N -0.98 0.00 0.25 2.61 2.88 -0.43 -5.03 113.62 112.92 2ftu n SER 27 Ca 0.06 -1.13 -0.13 0.00 -1.33 0.00 0.00 58.87 56.34 2ftu n SER 27 Cb 0.03 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2ftu n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ftu h ALA 28 N 0.00 -0.67 0.00 -1.46 0.00 0.03 -3.45 119.26 113.71 2ftu h ALA 28 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ftu h ALA 28 Cb 1.05 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2ftu h ALA 28 CO 0.00 -0.68 0.00 -1.71 0.00 0.00 0.00 179.25 176.86 2ftu n ASN 29 N -5.24 0.00 -1.92 0.00 5.15 -1.26 -5.07 115.26 106.92 2ftu n ASN 29 Ca -0.10 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 2ftu n ASN 29 Cb 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 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 -4.77 1.20 4.77 -1.26 -5.03 117.00 111.91 2ftu n LEU 30 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2ftu n LEU 30 Cb 0.12 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2ftu n LEU 30 CO 0.00 -0.43 -0.20 0.42 -1.33 0.00 0.00 177.39 175.85 2ftu s THR 31 N 0.82 3.86 0.29 -5.08 -4.23 -1.26 -5.01 115.64 105.03 2ftu s THR 31 Ca 0.00 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.02 2ftu s THR 31 Cb 0.00 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.69 2ftu s THR 31 CO 0.00 -0.31 1.66 0.44 -0.54 0.00 0.00 174.62 175.87 2ftu h ASP 32 N 1.57 0.13 -0.05 3.99 3.32 -1.97 -0.32 116.42 123.08 2ftu h ASP 32 Ca -0.46 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.47 2ftu h ASP 32 Cb 1.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2ftu h ASP 32 CO 0.61 0.62 -0.17 0.11 -1.72 0.00 0.00 179.24 178.69 2ftu h LYS 33 N 0.09 0.21 -0.89 3.56 6.56 -1.97 -1.93 116.57 122.20 2ftu h LYS 33 Ca 0.00 -0.15 0.03 0.00 -1.06 0.00 0.00 60.65 59.47 2ftu h LYS 33 Cb 0.94 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.58 2ftu h LYS 33 CO 0.07 0.78 0.59 1.05 -2.06 0.00 0.00 179.45 179.88 2ftu h GLU 34 N -0.32 1.09 0.26 3.15 -0.00 -1.73 -1.70 114.58 115.32 2ftu h GLU 34 Ca -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.28 2ftu h GLU 34 Cb 0.80 -0.25 -0.00 0.00 -0.00 0.00 0.00 28.75 29.30 2ftu h GLU 34 CO 0.04 0.72 -0.15 1.25 -0.00 0.00 0.00 179.01 180.86 2ftu h LEU 35 N 1.12 -0.39 -1.57 3.06 7.12 -1.07 -1.07 115.31 122.51 2ftu h LEU 35 Ca 0.35 0.02 0.08 0.00 0.13 0.00 0.00 57.88 58.47 2ftu h LEU 35 Cb 0.01 0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.21 2ftu h LEU 35 CO -0.10 -0.24 0.41 -0.08 -0.13 0.00 0.00 178.44 178.30 2ftu h GLU 36 N -0.38 0.49 0.44 1.25 4.57 -1.09 0.34 114.58 120.20 2ftu h GLU 36 Ca -0.03 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2ftu h GLU 36 Cb 0.30 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2ftu h GLU 36 CO 0.04 0.33 -0.21 0.00 -1.18 0.00 0.00 179.01 177.98 2ftu h ALA 37 N 1.68 -0.59 -0.78 2.92 0.00 -1.28 -1.68 119.26 119.52 2ftu h ALA 37 Ca 0.28 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2ftu h ALA 37 Cb 0.42 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2ftu h ALA 37 CO -0.08 -0.81 0.51 0.35 0.00 0.00 0.00 179.25 179.22 2ftu h PHE 38 N -0.63 0.72 -0.12 0.00 3.04 0.18 -1.97 116.94 118.18 2ftu h PHE 38 Ca -0.06 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.86 2ftu h PHE 38 Cb 0.47 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 2ftu h PHE 38 CO -0.04 0.33 -0.13 -0.09 -2.02 0.00 0.00 178.31 176.36 2ftu h ARG 39 N 0.67 0.30 -0.30 1.11 1.12 0.12 0.37 114.38 117.77 2ftu h ARG 39 Ca 0.37 -0.16 -0.18 0.00 -1.11 0.00 0.00 59.98 58.89 2ftu h ARG 39 Cb 0.52 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2ftu h ARG 39 CO -0.14 0.71 -0.53 1.05 -3.11 0.00 0.00 179.97 177.96 2ftu h GLU 40 N -0.11 0.89 0.20 0.20 -0.00 -1.26 -1.18 114.58 113.31 2ftu h GLU 40 Ca 0.02 -0.55 -0.00 0.00 -0.00 0.00 0.00 59.36 58.83 2ftu h GLU 40 Cb 0.67 0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.47 2ftu h GLU 40 CO 0.03 1.19 -0.16 1.49 -0.00 0.00 0.00 179.01 181.56 2ftu h GLU 41 N 0.68 -0.36 -0.49 1.06 4.81 -1.18 -1.51 114.58 117.59 2ftu h GLU 41 Ca 0.02 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2ftu h GLU 41 Cb 1.14 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2ftu h GLU 41 CO 0.12 -0.24 0.18 -0.07 -0.73 0.00 0.00 179.01 178.27 2ftu h LEU 42 N -0.37 0.65 -0.69 1.64 -0.00 -0.29 0.14 115.31 116.38 2ftu h LEU 42 Ca -0.01 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2ftu h LEU 42 Cb 0.34 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 2ftu h LEU 42 CO -0.02 0.60 0.09 0.50 -0.00 0.00 0.00 178.44 179.62 2ftu h LYS 43 N 0.70 1.10 -0.59 1.13 3.11 -0.74 0.41 116.57 121.70 2ftu h LYS 43 Ca 0.17 -0.30 -0.05 0.00 -2.81 0.00 0.00 60.65 57.65 2ftu h LYS 43 Cb 0.17 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 2ftu h LYS 43 CO -0.01 1.01 0.16 0.45 -2.81 0.00 0.00 179.45 178.25 2ftu h HIS 44 N 1.03 0.97 0.48 1.91 3.86 -0.58 -1.95 115.15 120.86 2ftu h HIS 44 Ca 0.20 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2ftu h HIS 44 Cb 0.46 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2ftu h HIS 44 CO 0.03 0.82 -0.23 0.35 0.86 0.00 0.00 177.93 179.76 2ftu h PHE 45 N 0.84 -0.59 -0.44 2.45 3.04 -0.46 -0.94 116.94 120.83 2ftu h PHE 45 Ca 0.19 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 2ftu h PHE 45 Cb 0.32 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.01 2ftu h PHE 45 CO 0.02 -0.36 0.24 1.05 -2.02 0.00 0.00 178.31 177.24 2ftu h GLU 46 N -0.65 0.62 -0.67 1.11 -0.00 -0.23 -0.70 114.58 114.06 2ftu h GLU 46 Ca -0.07 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 59.22 2ftu h GLU 46 Cb 0.49 -0.12 -0.03 0.00 -0.00 0.00 0.00 28.75 29.09 2ftu h GLU 46 CO 0.11 0.49 0.42 0.00 -0.00 0.00 0.00 179.01 180.03 2ftu h ALA 47 N 1.09 1.46 0.72 1.06 0.00 -1.32 0.79 119.26 123.07 2ftu h ALA 47 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ftu h ALA 47 Cb 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ftu h ALA 47 CO -0.02 0.47 -0.35 0.87 0.00 0.00 0.00 179.25 180.22 2ftu h LYS 48 N 0.92 -0.94 -0.52 0.00 1.57 -0.11 -1.46 116.57 116.03 2ftu h LYS 48 Ca 0.24 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2ftu h LYS 48 Cb -0.05 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2ftu h LYS 48 CO -0.05 -0.62 0.20 0.97 -0.57 0.00 0.00 179.45 179.38 2ftu h ILE 49 N -0.98 1.19 -0.42 1.86 6.09 -0.82 -1.44 117.51 123.00 2ftu h ILE 49 Ca -0.10 -0.62 0.04 0.00 -1.37 0.00 0.00 64.86 62.81 2ftu h ILE 49 Cb 0.75 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 38.58 2ftu h ILE 49 CO 0.16 0.24 0.19 -0.33 -3.07 0.00 0.00 178.15 175.35 2ftu h GLU 50 N 0.75 0.38 -0.46 2.19 4.39 -0.79 0.27 114.58 121.32 2ftu h GLU 50 Ca 0.18 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2ftu h GLU 50 Cb 0.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2ftu h GLU 50 CO -0.02 0.25 0.16 0.87 -1.16 0.00 0.00 179.01 179.12 2ftu h LYS 51 N 0.40 0.69 -0.32 2.33 1.57 -0.70 0.86 116.57 121.40 2ftu h LYS 51 Ca 0.19 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2ftu h LYS 51 Cb 0.12 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 2ftu h LYS 51 CO -0.15 0.65 -0.16 1.25 -0.57 0.00 0.00 179.45 180.47 2ftu h HIS 52 N 0.60 -0.41 -0.68 -1.35 2.76 -0.67 -1.12 115.15 114.28 2ftu h HIS 52 Ca 0.15 0.04 0.15 0.00 -2.20 0.00 0.00 60.37 58.50 2ftu h HIS 52 Cb 0.23 0.23 -0.11 0.00 1.55 0.00 0.00 27.41 29.31 2ftu h HIS 52 CO 0.01 -0.24 0.05 -0.91 -1.30 0.00 0.00 177.93 175.54 2ftu h ASN 53 N -0.12 -0.21 -0.67 3.26 -0.26 -0.03 -0.07 115.58 117.47 2ftu h ASN 53 Ca 0.16 0.16 -0.08 0.00 -0.56 0.00 0.00 56.30 55.99 2ftu h ASN 53 Cb 0.37 0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.87 2ftu h ASN 53 CO -0.39 -0.11 0.13 -0.74 -1.06 0.00 0.00 177.43 175.26 2ftu h HIS 54 N 0.15 1.17 0.37 1.19 2.76 0.31 -1.29 115.15 119.82 2ftu h HIS 54 Ca 0.37 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2ftu h HIS 54 Cb 0.61 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2ftu h HIS 54 CO -0.35 0.97 -0.18 1.88 -1.30 0.00 0.00 177.93 178.95 2ftu h TYR 55 N 1.04 -0.46 -0.98 5.26 -1.99 -0.31 -1.98 116.97 117.56 2ftu h TYR 55 Ca 0.21 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 61.08 2ftu h TYR 55 Cb 0.42 0.15 -0.09 0.00 2.00 0.00 0.00 36.73 39.21 2ftu h TYR 55 CO 0.03 -0.14 0.61 -0.56 -0.00 0.00 0.00 178.16 178.11 2ftu h GLN 56 N -0.86 0.82 0.18 4.88 3.07 -0.91 0.29 115.11 122.59 2ftu h GLN 56 Ca -0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 2ftu h GLN 56 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.92 2ftu h GLN 56 CO 0.08 0.54 -0.09 -0.22 0.09 0.00 0.00 178.83 179.24 2ftu h LYS 57 N 0.84 -0.24 0.00 0.06 3.64 -1.26 -1.33 116.57 118.29 2ftu h LYS 57 Ca 0.51 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2ftu h LYS 57 Cb 0.69 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2ftu h LYS 57 CO -0.28 0.01 0.00 1.96 -2.27 0.00 0.00 179.45 178.86 2ftu h GLN 58 N -0.46 0.00 0.17 1.90 1.08 -0.43 -1.95 115.11 115.42 2ftu h GLN 58 Ca -0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2ftu h GLN 58 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2ftu h GLN 58 CO 0.04 0.00 -0.08 1.25 -0.95 0.00 0.00 178.83 179.09 2ftu h LEU 59 N 0.00 -0.19 -0.27 1.46 6.46 0.53 0.69 115.31 123.99 2ftu h LEU 59 Ca 0.00 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.45 2ftu h LEU 59 Cb 0.17 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 2ftu h LEU 59 CO 0.00 0.35 0.07 -0.33 -0.62 0.00 0.00 178.44 177.91 2ftu h GLU 60 N -0.84 0.17 -0.29 1.25 3.07 -1.09 0.28 114.58 117.13 2ftu h GLU 60 Ca -0.02 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.68 2ftu h GLU 60 Cb 0.52 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2ftu h GLU 60 CO 0.04 0.11 -0.41 0.82 -1.40 0.00 0.00 179.01 178.17 2ftu h ILE 61 N 0.18 1.29 0.00 3.13 2.04 -1.45 -1.79 117.51 120.91 2ftu h ILE 61 Ca 0.12 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 2ftu h ILE 61 Cb 0.11 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2ftu h ILE 61 CO -0.15 0.51 -0.17 0.00 0.00 0.00 0.00 178.15 178.35 2ftu h ALA 62 N 0.95 1.42 0.01 1.87 0.00 -0.25 -1.58 119.26 121.68 2ftu h ALA 62 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2ftu h ALA 62 Cb 0.96 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2ftu h ALA 62 CO 0.09 0.21 -0.46 1.25 0.00 0.00 0.00 179.25 180.33 2ftu h HIS 63 N 0.00 0.46 -0.59 0.00 6.17 0.22 0.28 115.15 121.69 2ftu h HIS 63 Ca -0.00 -0.25 0.01 0.00 0.71 0.00 0.00 60.37 60.83 2ftu h HIS 63 Cb 0.37 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 2ftu h HIS 63 CO 0.00 1.07 0.39 1.05 0.71 0.00 0.00 177.93 181.15 2ftu h GLU 64 N -0.29 0.77 -0.50 5.26 -0.00 -1.29 -1.38 114.58 117.16 2ftu h GLU 64 Ca -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2ftu h GLU 64 Cb 1.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 29.76 2ftu h GLU 64 CO 0.09 0.51 0.31 0.87 -0.00 0.00 0.00 179.01 180.79 2ftu h LYS 65 N 0.79 0.67 0.98 1.06 1.57 -1.29 -1.55 116.57 118.81 2ftu h LYS 65 Ca 0.21 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2ftu h LYS 65 Cb -0.09 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.08 2ftu h LYS 65 CO -0.05 0.46 -0.47 1.25 -0.57 0.00 0.00 179.45 180.07 2ftu h LEU 66 N 0.68 -1.12 -1.35 2.94 6.46 0.61 0.61 115.31 124.14 2ftu h LEU 66 Ca 0.18 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2ftu h LEU 66 Cb -0.04 0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2ftu h LEU 66 CO -0.04 -0.79 0.40 0.08 -0.62 0.00 0.00 178.44 177.47 2ftu h ARG 67 N -1.34 0.83 -0.19 1.25 0.11 -1.24 0.76 114.38 114.57 2ftu h ARG 67 Ca -0.14 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.82 2ftu h ARG 67 Cb 1.01 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 2ftu h ARG 67 CO 0.22 0.57 -0.19 1.25 0.10 0.00 0.00 179.97 181.92 2ftu h HIS 68 N 0.85 0.35 0.06 4.08 2.76 -1.13 -2.59 115.15 119.54 2ftu h HIS 68 Ca 0.23 -0.06 -0.24 0.00 -2.20 0.00 0.00 60.37 58.10 2ftu h HIS 68 Cb -0.07 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 2ftu h HIS 68 CO 0.00 0.51 -1.07 0.00 -1.30 0.00 0.00 177.93 176.07 2ftu h ALA 69 N 1.50 0.28 -0.17 5.26 0.00 0.51 -3.28 119.26 123.36 2ftu h ALA 69 Ca 0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2ftu h ALA 69 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ftu h ALA 69 CO 0.03 0.95 -0.09 0.93 0.00 0.00 0.00 179.25 181.07 2ftu h GLU 70 N 0.11 0.26 0.00 0.00 5.08 -0.64 -1.00 114.58 118.40 2ftu h GLU 70 Ca -0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2ftu h GLU 70 Cb 1.76 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2ftu h GLU 70 CO 0.17 0.37 0.00 0.43 -1.00 0.00 0.00 179.01 178.98 2ftu n SER 71 N -4.30 0.03 0.06 1.42 7.64 -1.00 -1.46 113.62 116.01 2ftu n SER 71 Ca -0.00 0.51 -0.04 0.00 1.01 0.00 0.00 58.87 60.35 2ftu n SER 71 Cb 0.25 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.14 0.00 0.44 2.07 -1.34 -3.48 116.25 115.07 2ftu h VAL 72 Ca 0.00 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.78 2ftu h VAL 72 Cb 0.05 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2ftu h VAL 72 CO 0.00 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.85 2ftu n GLY 73 N 1.36 1.95 3.56 2.17 0.00 -0.54 -4.97 105.19 108.73 2ftu n GLY 73 Ca -0.04 -0.24 -0.44 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 2.69 2.87 0.27 1.61 -0.08 -1.26 -4.85 116.55 117.79 2ftu n ASP 74 Ca 0.00 0.16 0.18 0.00 -1.51 0.00 0.00 54.79 53.62 2ftu n ASP 74 Cb 0.00 -1.49 0.85 0.00 2.34 0.00 0.00 41.12 42.82 2ftu n ASP 74 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ftu h GLY 75 N 15.04 0.00 1.95 0.27 0.00 -1.93 -3.26 103.07 115.13 2ftu h GLY 75 Ca -0.36 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2ftu h GLY 75 CO 1.00 0.00 -0.03 -2.09 0.00 0.00 0.00 176.54 175.42 2ftu h GLU 76 N 0.00 0.06 0.10 4.80 4.57 -1.98 0.20 114.58 122.33 2ftu h GLU 76 Ca 0.00 -0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 57.90 2ftu h GLU 76 Cb 0.26 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2ftu h GLU 76 CO 0.00 0.11 -1.28 0.00 -1.18 0.00 0.00 179.01 176.66 2ftu h ARG 77 N 0.07 0.20 0.36 1.92 3.08 -1.93 -3.19 114.38 114.89 2ftu h ARG 77 Ca 0.02 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 2ftu h ARG 77 Cb 0.11 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2ftu h ARG 77 CO 0.01 1.13 -0.17 0.28 -1.07 0.00 0.00 179.97 180.14 2ftu h VAL 78 N 0.06 0.61 -0.12 2.04 2.07 -1.09 -0.71 116.25 119.11 2ftu h VAL 78 Ca -0.14 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2ftu h VAL 78 Cb 1.95 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 2ftu h VAL 78 CO 0.18 0.09 -0.43 0.28 0.02 0.00 0.00 177.57 177.70 2ftu h SER 79 N -0.79 -1.36 -0.89 0.57 0.02 -0.89 0.16 113.55 110.37 2ftu h SER 79 Ca -0.05 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2ftu h SER 79 Cb 0.52 0.55 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 2ftu h SER 79 CO 0.08 -0.44 0.57 -0.09 -1.14 0.00 0.00 176.83 175.81 2ftu h ARG 80 N -0.51 1.05 0.63 3.45 9.65 -1.55 0.20 114.38 127.30 2ftu h ARG 80 Ca 0.07 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 2ftu h ARG 80 Cb 0.64 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2ftu h ARG 80 CO -0.39 0.69 -0.32 0.77 2.80 0.00 0.00 179.97 183.52 2ftu h SER 81 N 1.08 -0.76 0.07 -3.80 0.02 -0.50 -1.88 113.55 107.77 2ftu h SER 81 Ca 0.37 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 2ftu h SER 81 Cb 0.07 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2ftu h SER 81 CO -0.14 -0.53 -0.06 -0.09 -1.14 0.00 0.00 176.83 174.87 2ftu h ARG 82 N -0.87 0.00 0.61 3.45 2.43 -0.35 0.17 114.38 119.82 2ftu h ARG 82 Ca -0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2ftu h ARG 82 Cb 0.67 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2ftu h ARG 82 CO 0.13 0.06 -0.29 1.49 -1.51 0.00 0.00 179.97 179.84 2ftu h GLU 83 N 0.00 -0.79 0.00 0.20 4.81 -0.41 -1.64 114.58 116.75 2ftu h GLU 83 Ca -0.00 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2ftu h GLU 83 Cb 0.11 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2ftu h GLU 83 CO 0.01 -0.53 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.23 2ftu h LYS 84 N -1.00 0.00 0.71 1.92 1.63 -1.14 -1.86 116.57 116.83 2ftu h LYS 84 Ca -0.08 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 2ftu h LYS 84 Cb 0.63 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2ftu h LYS 84 CO 0.14 0.31 -0.50 1.25 -3.45 0.00 0.00 179.45 177.21 2ftu h HIS 85 N 0.00 -1.34 -0.79 1.91 2.76 -0.97 -0.05 115.15 116.68 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 0.76 0.49 -0.04 0.00 1.55 0.00 0.00 27.41 30.17 2ftu h HIS 85 CO 0.00 -0.71 0.40 0.00 -1.30 0.00 0.00 177.93 176.31 2ftu h ALA 86 N -1.11 1.21 0.36 5.26 0.00 -0.98 0.70 119.26 124.70 2ftu h ALA 86 Ca -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ftu h ALA 86 Cb 0.94 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2ftu h ALA 86 CO 0.06 0.61 -0.42 1.25 0.00 0.00 0.00 179.25 180.75 2ftu h LEU 87 N 1.12 -1.16 0.05 0.00 5.85 -1.33 -1.61 115.31 118.23 2ftu h LEU 87 Ca 0.27 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.12 2ftu h LEU 87 Cb 0.08 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2ftu h LEU 87 CO -0.04 -0.56 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.06 2ftu h LEU 88 N -0.82 -1.13 -0.63 2.25 4.07 -0.18 -1.83 115.31 117.03 2ftu h LEU 88 Ca -0.03 0.14 0.13 0.00 0.08 0.00 0.00 57.88 58.19 2ftu h LEU 88 Cb 0.74 0.44 -0.10 0.00 1.08 0.00 0.00 40.66 42.83 2ftu h LEU 88 CO -0.10 -0.44 0.11 -0.33 -1.08 0.00 0.00 178.44 176.59 2ftu h GLU 89 N -0.57 0.22 -0.56 1.13 4.39 -0.87 0.31 114.58 118.63 2ftu h GLU 89 Ca 0.04 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2ftu h GLU 89 Cb 0.63 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2ftu h GLU 89 CO -0.26 0.14 0.20 0.78 -1.16 0.00 0.00 179.01 178.71 2ftu h GLY 90 N 0.22 0.92 1.40 -3.84 0.00 -0.86 -0.34 103.07 100.58 2ftu h GLY 90 Ca 0.34 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 2ftu h GLY 90 CO -0.46 0.49 -0.35 -0.09 0.00 0.00 0.00 176.54 176.14 2ftu h ARG 91 N 0.78 0.67 -0.32 4.80 9.65 -0.40 -1.84 114.38 127.72 2ftu h ARG 91 Ca 0.18 -0.32 -0.07 0.00 -1.10 0.00 0.00 59.98 58.68 2ftu h ARG 91 Cb 0.25 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2ftu h ARG 91 CO -0.01 0.92 -0.06 1.79 2.80 0.00 0.00 179.97 185.41 2ftu h THR 92 N 0.56 1.28 0.01 0.20 1.35 -0.01 0.60 112.91 116.89 2ftu h THR 92 Ca 0.06 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2ftu h THR 92 Cb 0.86 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2ftu h THR 92 CO 0.07 0.35 -0.03 0.50 -0.25 0.00 0.00 175.52 176.17 2ftu h LYS 93 N 0.38 -0.05 -0.28 4.72 3.64 -1.14 0.52 116.57 124.36 2ftu h LYS 93 Ca 0.08 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2ftu h LYS 93 Cb 0.54 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 2ftu h LYS 93 CO 0.03 -0.03 -0.50 1.49 -2.27 0.00 0.00 179.45 178.17 2ftu h GLU 94 N -0.05 -0.44 -0.10 1.90 4.81 -1.19 -1.78 114.58 117.73 2ftu h GLU 94 Ca 0.01 0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 2ftu h GLU 94 Cb 0.06 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2ftu h GLU 94 CO -0.02 -0.29 -0.64 1.25 -0.73 0.00 0.00 179.01 178.57 2ftu h LEU 95 N -0.45 0.44 -0.24 1.64 7.12 -0.64 -0.37 115.31 122.80 2ftu h LEU 95 Ca 0.08 -0.26 0.04 0.00 0.13 0.00 0.00 57.88 57.87 2ftu h LEU 95 Cb 0.63 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.59 2ftu h LEU 95 CO -0.51 0.97 -0.01 1.23 -0.13 0.00 0.00 178.44 179.99 2ftu h GLY 96 N 1.30 0.23 0.66 3.75 0.00 -0.79 0.95 103.07 109.17 2ftu h GLY 96 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.40 2ftu h GLY 96 CO 0.11 -0.05 0.13 -1.82 0.00 0.00 0.00 176.54 174.90 2ftu h TYR 97 N 0.07 0.23 0.10 5.60 5.03 -0.73 -0.52 116.97 126.74 2ftu h TYR 97 Ca 0.12 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.45 2ftu h TYR 97 Cb 0.15 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 2ftu h TYR 97 CO -0.20 0.09 -0.12 1.15 -1.32 0.00 0.00 178.16 177.76 2ftu h THR 98 N 0.28 0.73 -0.33 1.81 2.02 -0.51 -0.87 112.91 116.04 2ftu h THR 98 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 2ftu h THR 98 Cb 0.16 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 2ftu h THR 98 CO -0.18 0.00 -0.38 0.58 0.37 0.00 0.00 175.52 175.90 2ftu h VAL 99 N -0.25 0.17 -0.66 3.16 2.07 -0.65 -0.88 116.25 119.21 2ftu h VAL 99 Ca 0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2ftu h VAL 99 Cb 0.25 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2ftu h VAL 99 CO -0.04 0.00 0.17 0.11 0.02 0.00 0.00 177.57 177.83 2ftu h LYS 100 N -0.34 1.04 0.01 1.57 1.57 -0.33 0.44 116.57 120.52 2ftu h LYS 100 Ca 0.13 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2ftu h LYS 100 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2ftu h LYS 100 CO -0.51 0.91 -0.01 0.87 -0.57 0.00 0.00 179.45 180.14 2ftu h LYS 101 N 0.99 -0.02 -0.25 3.15 1.57 -0.94 -1.84 116.57 119.23 2ftu h LYS 101 Ca 0.21 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2ftu h LYS 101 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2ftu h LYS 101 CO -0.00 0.18 0.17 0.45 -0.57 0.00 0.00 179.45 179.68 2ftu h HIS 102 N -0.22 0.26 -0.04 -1.35 3.86 -0.58 -1.19 115.15 115.89 2ftu h HIS 102 Ca -0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ftu h HIS 102 Cb 0.21 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2ftu h HIS 102 CO -0.01 0.16 0.02 -0.07 0.86 0.00 0.00 177.93 178.89 2ftu h LEU 103 N 0.28 0.05 -1.45 2.43 4.07 0.21 0.35 115.31 121.24 2ftu h LEU 103 Ca 0.10 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2ftu h LEU 103 Cb 0.07 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2ftu h LEU 103 CO -0.02 0.12 -0.04 1.56 -1.08 0.00 0.00 178.44 178.98 2ftu h GLN 104 N -0.02 0.31 0.37 1.13 4.20 -0.72 -0.75 115.11 119.62 2ftu h GLN 104 Ca 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2ftu h GLN 104 Cb 0.08 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2ftu h GLN 104 CO -0.00 0.37 -0.18 -0.44 -0.67 0.00 0.00 178.83 177.91 2ftu h ASP 105 N 0.30 -0.42 -0.41 1.46 3.32 -0.60 -0.89 116.42 119.17 2ftu h ASP 105 Ca 0.07 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2ftu h ASP 105 Cb 0.27 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 2ftu h ASP 105 CO 0.01 -0.09 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.34 2ftu h LEU 106 N -0.93 -0.23 -0.50 1.55 3.38 -0.36 0.29 115.31 118.51 2ftu h LEU 106 Ca -0.05 0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2ftu h LEU 106 Cb 0.38 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2ftu h LEU 106 CO 0.08 -0.07 -0.26 -1.28 0.09 0.00 0.00 178.44 176.99 2ftu h SER 107 N 0.07 0.98 -0.48 -0.43 0.87 -1.26 0.76 113.55 114.07 2ftu h SER 107 Ca 0.20 -0.39 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 2ftu h SER 107 Cb 0.29 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2ftu h SER 107 CO -0.36 1.18 0.32 1.23 -0.53 0.00 0.00 176.83 178.66 2ftu h GLY 108 N 0.87 0.54 0.00 5.77 0.00 0.38 -1.63 103.07 109.00 2ftu h GLY 108 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2ftu h GLY 108 CO 0.07 0.15 0.00 0.54 0.00 0.00 0.00 176.54 177.30 2ftu n ARG 109 N -4.48 0.00 0.29 4.80 3.00 0.85 -4.28 116.66 116.85 2ftu n ARG 109 Ca 0.06 0.20 0.16 0.00 -0.01 0.00 0.00 57.85 58.26 2ftu n ARG 109 Cb 0.21 -0.95 0.86 0.00 0.00 0.00 0.00 32.46 32.58 2ftu n ARG 109 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2ftu h ILE 110 N 0.00 0.00 -0.38 0.55 1.08 -0.83 -0.25 117.51 117.68 2ftu h ILE 110 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2ftu h ILE 110 Cb 0.00 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2ftu h ILE 110 CO 0.00 0.00 0.26 -1.28 -0.69 0.00 0.00 178.15 176.44 2ftu h SER 111 N 0.00 0.26 -2.13 1.72 0.87 -1.48 -3.39 113.55 109.40 2ftu h SER 111 Ca 0.00 -0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2ftu h SER 111 Cb 0.32 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2ftu h SER 111 CO 0.00 0.17 -0.47 -0.60 -0.53 0.00 0.00 176.83 175.40 2ftu s ARG 112 N -5.29 3.11 0.20 2.24 3.52 -0.11 -5.14 118.95 117.47 2ftu s ARG 112 Ca -0.07 -0.97 0.04 0.00 -0.13 0.00 0.00 55.73 54.60 2ftu s ARG 112 Cb 0.18 -2.69 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 2ftu s ARG 112 CO 0.72 0.36 -0.03 0.00 -0.81 0.00 0.00 175.30 175.54 2ftu s ALA 113 N -2.10 1.63 0.38 6.12 0.00 -1.26 -4.90 121.76 121.63 2ftu s ALA 113 Ca 0.35 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.73 2ftu s ALA 113 Cb -0.08 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 2ftu s ALA 113 CO 0.27 -0.21 -0.02 1.03 0.00 0.00 0.00 175.76 176.83 2ftu s ARG 114 N -3.84 1.89 0.29 0.00 1.81 -1.26 -4.96 118.95 112.88 2ftu s ARG 114 Ca 0.24 -2.04 0.26 0.00 -1.72 0.00 0.00 55.73 52.47 2ftu s ARG 114 Cb 0.05 -1.58 0.93 0.00 -0.45 0.00 0.00 34.95 33.90 2ftu s ARG 114 CO 0.05 -0.01 1.76 0.45 -0.68 0.00 0.00 175.30 176.88 2ftu h HIS 115 N 1.88 0.00 0.00 -0.53 3.86 -1.99 -3.39 115.15 114.97 2ftu h HIS 115 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2ftu h HIS 115 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2ftu h HIS 115 CO 0.73 0.00 0.00 0.09 0.86 0.00 0.00 177.93 179.61 2ftu n ASN 116 N -2.40 0.00 -3.68 2.45 3.02 -1.26 -4.98 115.26 108.41 2ftu n ASN 116 Ca 0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 2ftu n ASN 116 Cb 0.32 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.33 2ftu n ASN 116 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2ftu s GLU 117 N 1.39 0.03 0.00 3.52 1.03 -1.26 -4.36 118.70 119.04 2ftu s GLU 117 Ca 0.00 0.51 0.00 0.00 0.03 0.00 0.00 54.97 55.51 2ftu s GLU 117 Cb 0.00 -0.28 0.00 0.00 -0.80 0.00 0.00 34.13 33.05 2ftu s GLU 117 CO 0.00 -0.29 0.00 1.28 -1.33 0.00 0.00 175.26 174.92