#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftu n VAL 2 N 0.00 0.80 -4.04 5.15 3.14 -1.26 -5.02 118.33 117.09 2ftu n VAL 2 Ca 0.00 -0.37 -0.16 0.00 -2.96 0.00 0.00 64.34 60.84 2ftu n VAL 2 Cb 0.00 -0.49 -0.15 0.00 -1.06 0.00 0.00 33.84 32.14 2ftu n VAL 2 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2ftu s SER 3 N -1.47 0.51 0.08 6.55 0.15 -1.26 -5.14 113.70 113.11 2ftu s SER 3 Ca 0.58 -0.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.04 2ftu s SER 3 Cb -0.30 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 63.86 2ftu s SER 3 CO 0.66 -0.02 0.29 -1.00 1.20 0.00 0.00 173.24 174.36 2ftu s HIS 4 N 0.47 -0.04 0.28 3.44 0.09 -1.26 -4.98 115.29 113.29 2ftu s HIS 4 Ca -0.05 -0.24 0.12 0.00 -0.00 0.00 0.00 55.06 54.89 2ftu s HIS 4 Cb -0.08 0.08 0.48 0.00 -0.00 0.00 0.00 32.58 33.06 2ftu s HIS 4 CO -0.01 -0.56 1.68 1.96 -0.00 0.00 0.00 174.74 177.81 2ftu h GLN 5 N 2.87 0.00 -0.03 1.40 7.50 -2.01 -3.43 115.11 121.41 2ftu h GLN 5 Ca -0.33 0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.01 2ftu h GLN 5 Cb 1.21 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 28.57 2ftu h GLN 5 CO 0.50 0.53 -0.01 0.20 -1.50 0.00 0.00 178.83 178.55 2ftu s GLY 6 N -4.42 -1.46 -1.28 3.46 0.00 -1.26 -5.03 107.32 97.33 2ftu s GLY 6 Ca -0.01 1.69 -0.14 0.00 0.00 0.00 0.00 44.72 46.26 2ftu s GLY 6 CO 0.74 4.41 0.46 -1.72 0.00 0.00 0.00 173.10 176.99 2ftu n TYR 7 N 3.81 -1.59 -1.41 1.90 4.02 -1.26 -4.51 117.16 118.12 2ftu n TYR 7 Ca 0.05 0.49 0.11 0.00 -0.01 0.00 0.00 57.90 58.54 2ftu n TYR 7 Cb 0.64 -2.10 -0.06 0.00 -0.02 0.00 0.00 39.34 37.80 2ftu n TYR 7 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2ftu n SER 8 N -2.22 -7.15 -0.09 7.72 7.64 -1.26 -4.70 113.62 113.56 2ftu n SER 8 Ca 0.05 1.42 -0.11 0.00 1.01 0.00 0.00 58.87 61.24 2ftu n SER 8 Cb 0.49 -4.68 -0.04 0.00 -1.01 0.00 0.00 64.21 58.98 2ftu n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ftu h THR 9 N -0.95 1.25 -1.39 0.44 1.03 -2.03 -3.47 112.91 107.80 2ftu h THR 9 Ca -0.13 -0.87 0.13 0.00 -0.01 0.00 0.00 66.41 65.54 2ftu h THR 9 Cb 1.13 1.30 -0.29 0.00 -1.07 0.00 0.00 68.15 69.21 2ftu h THR 9 CO 0.05 0.28 0.54 -1.61 -0.01 0.00 0.00 175.52 174.76 2ftu s GLU 10 N -5.05 0.29 0.13 0.00 0.41 -1.26 -5.19 118.70 108.02 2ftu s GLU 10 Ca -0.14 0.45 -0.24 0.00 -0.41 0.00 0.00 54.97 54.63 2ftu s GLU 10 Cb 0.08 0.08 0.07 0.00 -1.78 0.00 0.00 34.13 32.58 2ftu s GLU 10 CO 0.75 -0.05 0.63 0.00 -0.49 0.00 0.00 175.26 176.09 2ftu s ALA 11 N 0.92 -1.63 -2.15 5.21 0.00 -1.26 -4.98 121.76 117.87 2ftu s ALA 11 Ca -0.05 0.61 0.21 0.00 0.00 0.00 0.00 51.96 52.74 2ftu s ALA 11 Cb -0.04 0.76 0.55 0.00 0.00 0.00 0.00 23.12 24.40 2ftu s ALA 11 CO -0.12 -0.72 1.47 0.39 0.00 0.00 0.00 175.76 176.78 2ftu n GLU 12 N -0.24 2.49 -4.18 0.00 1.02 -1.26 -4.83 120.64 113.64 2ftu n GLU 12 Ca -0.17 -2.29 -0.14 0.00 -0.02 0.00 0.00 57.16 54.54 2ftu n GLU 12 Cb 0.64 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.25 1.08 -1.30 -0.32 0.08 -1.26 -4.70 117.98 110.30 2ftu s PHE 13 Ca 0.42 -0.67 -0.06 0.00 0.12 0.00 0.00 56.93 56.74 2ftu s PHE 13 Cb 0.23 -0.59 0.06 0.00 -0.57 0.00 0.00 43.02 42.15 2ftu s PHE 13 CO 0.30 0.00 0.15 0.39 -0.10 0.00 0.00 175.22 175.97 2ftu n GLU 14 N 0.47 -0.90 0.12 0.44 -0.58 -1.26 -4.53 120.64 114.41 2ftu n GLU 14 Ca -0.15 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2ftu n GLU 14 Cb 0.58 -3.09 0.00 0.00 -0.57 0.00 0.00 31.44 28.36 2ftu n GLU 14 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ftu n GLU 15 N -3.64 0.00 -0.98 3.49 -0.58 -1.26 -4.96 120.64 112.71 2ftu n GLU 15 Ca -0.15 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.31 2ftu n GLU 15 Cb 0.49 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.56 2ftu n GLU 15 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ftu s PRO 16 N -1.58 -0.08 0.00 3.49 0.04 -1.26 -4.86 135.00 130.75 2ftu s PRO 16 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2ftu s PRO 16 Cb 0.00 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2ftu s PRO 16 CO 0.00 -3.09 0.27 2.89 0.04 0.00 0.00 177.00 177.11 2ftu n ARG 17 N -4.44 0.00 0.02 4.56 1.85 -1.26 -3.78 116.66 113.62 2ftu n ARG 17 Ca 0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.76 2ftu n ARG 17 Cb 0.56 -1.43 -0.09 0.00 -1.05 0.00 0.00 32.46 30.45 2ftu n ARG 17 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2ftu h VAL 18 N 0.00 1.22 -0.90 8.89 -1.51 -1.89 0.17 116.25 122.23 2ftu h VAL 18 Ca 0.00 -0.88 0.06 0.00 -1.23 0.00 0.00 66.70 64.65 2ftu h VAL 18 Cb 0.00 1.80 -0.06 0.00 -2.13 0.00 0.00 31.29 30.91 2ftu h VAL 18 CO 0.00 0.22 0.59 0.40 -1.23 0.00 0.00 177.57 177.55 2ftu h ILE 19 N -0.44 1.09 -0.38 7.19 1.08 -1.94 -1.92 117.51 122.19 2ftu h ILE 19 Ca -0.01 -0.36 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 2ftu h ILE 19 Cb 0.41 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 2ftu h ILE 19 CO 0.01 0.19 0.11 -0.78 -0.69 0.00 0.00 178.15 176.99 2ftu h ASP 20 N 1.06 0.57 -0.19 1.72 1.82 -1.69 0.50 116.42 120.21 2ftu h ASP 20 Ca 0.38 -0.22 0.05 0.00 -0.39 0.00 0.00 57.03 56.86 2ftu h ASP 20 Cb 0.14 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 39.95 2ftu h ASP 20 CO -0.13 0.63 -0.18 -0.07 -1.61 0.00 0.00 179.24 177.88 2ftu h LEU 21 N 0.47 -0.57 -1.55 2.28 -0.00 -0.28 -0.01 115.31 115.65 2ftu h LEU 21 Ca 0.12 0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 2ftu h LEU 21 Cb 0.28 0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2ftu h LEU 21 CO -0.00 -0.22 -0.12 -0.50 -0.00 0.00 0.00 178.44 177.60 2ftu h TRP 22 N -0.20 0.00 0.88 1.13 6.55 -1.07 -1.01 115.95 122.23 2ftu h TRP 22 Ca 0.12 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.92 2ftu h TRP 22 Cb 0.37 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.68 2ftu h TRP 22 CO -0.32 0.12 -0.42 0.22 -1.05 0.00 0.00 178.44 176.98 2ftu h ASP 23 N 0.00 -1.00 1.54 -3.49 1.82 0.10 -3.11 116.42 112.28 2ftu h ASP 23 Ca -0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2ftu h ASP 23 Cb 0.52 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2ftu h ASP 23 CO 0.02 -0.70 0.00 0.17 -1.61 0.00 0.00 179.24 177.11 2ftu h LEU 24 N -1.20 0.00 -1.97 2.28 -0.00 -1.30 -3.06 115.31 110.05 2ftu h LEU 24 Ca -0.12 0.00 0.35 0.00 -0.00 0.00 0.00 57.88 58.10 2ftu h LEU 24 Cb 0.91 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.52 2ftu h LEU 24 CO 0.20 0.00 0.88 0.00 -0.00 0.00 0.00 178.44 179.52 2ftu h ALA 25 N 2.39 3.12 -1.25 0.17 0.00 -1.10 -1.32 119.26 121.27 2ftu h ALA 25 Ca 0.00 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 55.23 2ftu h ALA 25 Cb 0.77 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2ftu h ALA 25 CO 0.00 -1.49 0.88 -0.56 0.00 0.00 0.00 179.25 178.08 2ftu h GLN 26 N 0.00 0.06 -0.38 0.00 3.07 -1.64 -2.33 115.11 113.89 2ftu h GLN 26 Ca 0.57 -0.00 -0.25 0.00 0.09 0.00 0.00 58.65 59.06 2ftu h GLN 26 Cb 2.32 -0.01 -0.30 0.00 0.08 0.00 0.00 27.48 29.56 2ftu h GLN 26 CO -0.01 0.04 -0.82 0.43 0.09 0.00 0.00 178.83 178.57 2ftu n SER 27 N -4.25 0.29 0.00 0.06 7.64 -0.58 -5.02 113.62 111.76 2ftu n SER 27 Ca 0.28 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.88 2ftu n SER 27 Cb 1.28 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 2ftu n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ftu n ALA 28 N -0.73 -0.04 -1.87 -0.43 0.00 -0.69 -4.92 120.51 111.83 2ftu n ALA 28 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ftu n ALA 28 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 2ftu n ALA 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ftu n ASN 29 N -0.71 0.00 -2.60 0.00 2.85 -1.26 -5.06 115.26 108.48 2ftu n ASN 29 Ca 0.00 -0.90 -0.07 0.00 -0.11 0.00 0.00 54.58 53.50 2ftu n ASN 29 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 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 -4.88 1.20 7.99 -1.26 -5.06 117.00 114.99 2ftu n LEU 30 Ca 0.00 -0.48 -0.30 0.00 -0.01 0.00 0.00 56.01 55.22 2ftu n LEU 30 Cb 0.45 -0.22 -0.03 0.00 -0.11 0.00 0.00 43.42 43.50 2ftu n LEU 30 CO 0.00 -0.69 0.40 0.42 -1.51 0.00 0.00 177.39 176.01 2ftu s THR 31 N -1.22 4.83 -1.15 -5.08 -4.23 -1.26 -4.94 115.64 102.58 2ftu s THR 31 Ca 0.19 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2ftu s THR 31 Cb -0.01 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2ftu s THR 31 CO 0.13 -0.48 0.33 -0.67 -0.54 0.00 0.00 174.62 173.39 2ftu n ASP 32 N -1.22 0.48 0.05 3.99 2.03 -1.26 -0.86 116.55 119.76 2ftu n ASP 32 Ca 0.02 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2ftu n ASP 32 Cb 0.54 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2ftu n ASP 32 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2ftu n LYS 33 N 0.11 0.00 -0.21 -0.67 3.00 -1.26 -4.46 118.16 114.66 2ftu n LYS 33 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 2ftu n LYS 33 Cb 0.12 -0.17 0.34 0.00 0.00 0.00 0.00 35.03 35.33 2ftu n LYS 33 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2ftu h GLU 34 N 0.00 0.76 0.58 1.64 -0.00 -1.91 -1.23 114.58 114.41 2ftu h GLU 34 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 59.29 2ftu h GLU 34 Cb 0.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 28.76 2ftu h GLU 34 CO 0.00 0.50 -0.50 1.25 -0.00 0.00 0.00 179.01 180.26 2ftu h LEU 35 N 0.78 -1.33 -1.37 3.06 7.12 -1.29 -0.96 115.31 121.32 2ftu h LEU 35 Ca 0.34 0.10 0.04 0.00 0.13 0.00 0.00 57.88 58.49 2ftu h LEU 35 Cb 0.32 0.43 -0.04 0.00 -0.53 0.00 0.00 40.66 40.84 2ftu h LEU 35 CO -0.12 -0.68 0.46 -0.08 -0.13 0.00 0.00 178.44 177.88 2ftu h GLU 36 N -1.05 0.79 0.01 1.25 4.81 -1.48 0.39 114.58 119.29 2ftu h GLU 36 Ca -0.08 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2ftu h GLU 36 Cb 0.89 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2ftu h GLU 36 CO -0.01 0.52 -0.01 0.00 -0.73 0.00 0.00 179.01 178.78 2ftu h ALA 37 N 1.60 -0.01 -0.91 2.92 0.00 -1.23 -1.69 119.26 119.93 2ftu h ALA 37 Ca 0.28 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2ftu h ALA 37 Cb 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2ftu h ALA 37 CO -0.08 -0.43 0.59 0.35 0.00 0.00 0.00 179.25 179.67 2ftu h PHE 38 N -0.17 1.01 -0.05 0.00 3.04 -0.09 -1.96 116.94 118.72 2ftu h PHE 38 Ca -0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2ftu h PHE 38 Cb 0.16 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 2ftu h PHE 38 CO -0.02 0.49 0.00 -0.09 -2.02 0.00 0.00 178.31 176.67 2ftu h ARG 39 N 0.96 0.09 -0.62 1.11 1.12 0.34 0.29 114.38 117.66 2ftu h ARG 39 Ca 0.41 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.17 2ftu h ARG 39 Cb 0.32 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.25 2ftu h ARG 39 CO -0.17 0.36 0.06 1.05 -3.11 0.00 0.00 179.97 178.17 2ftu h GLU 40 N -0.20 1.05 -0.54 0.20 4.11 -1.23 -1.00 114.58 116.96 2ftu h GLU 40 Ca 0.01 -0.30 -0.08 0.00 0.07 0.00 0.00 59.36 59.06 2ftu h GLU 40 Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2ftu h GLU 40 CO 0.00 0.99 0.03 1.05 0.07 0.00 0.00 179.01 181.15 2ftu h GLU 41 N 0.95 0.91 -0.18 1.06 4.11 -0.97 -0.76 114.58 119.69 2ftu h GLU 41 Ca 0.18 -0.25 -0.18 0.00 0.07 0.00 0.00 59.36 59.18 2ftu h GLU 41 Cb 0.48 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ftu h GLU 41 CO 0.02 0.89 -0.60 -0.07 0.07 0.00 0.00 179.01 179.31 2ftu h LEU 42 N 0.85 0.70 -0.74 3.06 -0.00 -0.34 0.37 115.31 119.21 2ftu h LEU 42 Ca 0.16 -0.40 -0.07 0.00 -0.00 0.00 0.00 57.88 57.57 2ftu h LEU 42 Cb 0.47 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2ftu h LEU 42 CO 0.02 1.14 0.13 0.50 -0.00 0.00 0.00 178.44 180.23 2ftu h LYS 43 N 0.46 1.09 -0.17 1.13 3.11 -0.91 0.23 116.57 121.51 2ftu h LYS 43 Ca -0.00 -0.27 0.03 0.00 -2.81 0.00 0.00 60.65 57.59 2ftu h LYS 43 Cb 1.18 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.24 2ftu h LYS 43 CO 0.12 0.98 -0.00 1.25 -2.81 0.00 0.00 179.45 178.99 2ftu h HIS 44 N 1.03 -0.01 0.61 1.91 2.76 -0.91 -1.93 115.15 118.61 2ftu h HIS 44 Ca 0.21 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2ftu h HIS 44 Cb 0.41 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 2ftu h HIS 44 CO 0.03 -0.02 -0.35 0.35 -1.30 0.00 0.00 177.93 176.64 2ftu h PHE 45 N 0.06 -0.91 -0.87 5.26 3.04 -0.25 -1.69 116.94 121.58 2ftu h PHE 45 Ca 0.08 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.03 2ftu h PHE 45 Cb 0.10 0.32 -0.05 0.00 2.56 0.00 0.00 35.95 38.88 2ftu h PHE 45 CO -0.16 -0.54 0.57 1.05 -2.02 0.00 0.00 178.31 177.21 2ftu h GLU 46 N -0.90 1.12 -0.20 1.11 -0.00 -0.63 -1.16 114.58 113.93 2ftu h GLU 46 Ca -0.08 -0.07 0.02 0.00 -0.00 0.00 0.00 59.36 59.24 2ftu h GLU 46 Cb 0.71 -0.25 -0.02 0.00 -0.00 0.00 0.00 28.75 29.19 2ftu h GLU 46 CO 0.10 0.74 0.06 0.00 -0.00 0.00 0.00 179.01 179.91 2ftu h ALA 47 N 1.33 0.22 0.01 1.06 0.00 -1.19 -0.58 119.26 120.11 2ftu h ALA 47 Ca 0.33 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2ftu h ALA 47 Cb -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2ftu h ALA 47 CO -0.08 -0.36 -0.14 0.87 0.00 0.00 0.00 179.25 179.54 2ftu h LYS 48 N 0.16 -0.23 0.00 0.00 6.56 -0.61 -1.80 116.57 120.64 2ftu h LYS 48 Ca 0.09 0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.61 2ftu h LYS 48 Cb 0.06 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2ftu h LYS 48 CO -0.09 -0.15 -0.40 0.97 -2.06 0.00 0.00 179.45 177.71 2ftu h ILE 49 N -0.24 0.82 -0.71 1.86 2.10 -1.03 -0.88 117.51 119.43 2ftu h ILE 49 Ca 0.04 -1.74 -0.07 0.00 1.08 0.00 0.00 64.86 64.17 2ftu h ILE 49 Cb 0.29 2.11 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 2ftu h ILE 49 CO -0.13 0.40 0.16 -0.33 -1.08 0.00 0.00 178.15 177.17 2ftu h GLU 50 N 0.00 1.14 -0.10 2.19 4.39 -0.91 0.12 114.58 121.41 2ftu h GLU 50 Ca -0.00 -0.28 -0.20 0.00 0.34 0.00 0.00 59.36 59.21 2ftu h GLU 50 Cb 1.07 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2ftu h GLU 50 CO 0.05 1.01 -0.76 0.87 -1.16 0.00 0.00 179.01 179.03 2ftu h LYS 51 N 1.08 0.56 0.00 2.33 1.57 -0.88 0.13 116.57 121.36 2ftu h LYS 51 Ca 0.22 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2ftu h LYS 51 Cb 0.39 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 2ftu h LYS 51 CO 0.01 1.09 -0.41 1.25 -0.57 0.00 0.00 179.45 180.81 2ftu h HIS 52 N 0.38 -1.16 -1.00 -1.35 -0.00 -1.09 -1.69 115.15 109.24 2ftu h HIS 52 Ca -0.04 0.04 0.22 0.00 -0.00 0.00 0.00 60.37 60.58 2ftu h HIS 52 Cb 1.36 0.51 -0.10 0.00 -0.00 0.00 0.00 27.41 29.18 2ftu h HIS 52 CO 0.06 -0.49 0.62 -0.97 -0.00 0.00 0.00 177.93 177.15 2ftu h ASN 53 N -0.57 0.64 0.57 3.26 -1.24 -0.58 0.24 115.58 117.91 2ftu h ASN 53 Ca 0.05 0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 2ftu h ASN 53 Cb 0.65 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2ftu h ASN 53 CO -0.31 0.19 -0.31 -0.74 -1.29 0.00 0.00 177.43 174.97 2ftu h HIS 54 N 0.60 -0.80 0.14 0.67 2.76 -0.55 -1.74 115.15 116.24 2ftu h HIS 54 Ca 0.58 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.73 2ftu h HIS 54 Cb 1.12 0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.36 2ftu h HIS 54 CO -0.00 -0.48 -0.07 1.88 -1.30 0.00 0.00 177.93 177.95 2ftu h TYR 55 N -0.81 -0.18 -0.58 5.26 -1.99 -0.04 -1.70 116.97 116.93 2ftu h TYR 55 Ca -0.07 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.66 2ftu h TYR 55 Cb 0.64 0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.40 2ftu h TYR 55 CO -0.06 0.03 0.38 -0.56 -0.00 0.00 0.00 178.16 177.95 2ftu h GLN 56 N -0.36 0.75 -0.39 4.88 -0.00 -0.70 0.33 115.11 119.62 2ftu h GLN 56 Ca -0.02 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 2ftu h GLN 56 Cb 0.29 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 2ftu h GLN 56 CO 0.03 0.49 0.01 0.87 -0.00 0.00 0.00 178.83 180.23 2ftu h LYS 57 N 0.77 0.68 0.00 0.06 1.57 -1.14 -1.38 116.57 117.13 2ftu h LYS 57 Ca 0.21 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ftu h LYS 57 Cb -0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2ftu h LYS 57 CO -0.05 0.77 0.00 1.96 -0.57 0.00 0.00 179.45 181.56 2ftu h GLN 58 N 0.50 0.00 0.01 3.15 1.08 -0.27 -1.85 115.11 117.73 2ftu h GLN 58 Ca 0.11 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2ftu h GLN 58 Cb 0.46 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2ftu h GLN 58 CO 0.02 0.00 -0.30 1.25 -0.95 0.00 0.00 178.83 178.85 2ftu h LEU 59 N 0.00 0.25 -0.38 1.46 5.85 0.43 0.72 115.31 123.64 2ftu h LEU 59 Ca 0.00 -0.80 0.06 0.00 0.84 0.00 0.00 57.88 57.97 2ftu h LEU 59 Cb 0.27 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2ftu h LEU 59 CO 0.00 1.02 0.08 -0.08 -0.34 0.00 0.00 178.44 179.12 2ftu h GLU 60 N -0.50 0.20 -0.52 1.25 4.57 -1.05 0.10 114.58 118.63 2ftu h GLU 60 Ca -0.04 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 2ftu h GLU 60 Cb 1.07 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 2ftu h GLU 60 CO 0.06 0.13 -0.01 0.82 -1.18 0.00 0.00 179.01 178.83 2ftu h ILE 61 N 0.20 1.26 -0.73 2.32 2.04 -1.40 -0.99 117.51 120.21 2ftu h ILE 61 Ca 0.18 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 65.01 2ftu h ILE 61 Cb 0.21 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 2ftu h ILE 61 CO -0.23 0.39 0.40 0.00 0.00 0.00 0.00 178.15 178.71 2ftu h ALA 62 N 0.94 1.01 -0.27 1.87 0.00 -0.31 -1.60 119.26 120.91 2ftu h ALA 62 Ca 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2ftu h ALA 62 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ftu h ALA 62 CO 0.03 0.04 -0.46 1.25 0.00 0.00 0.00 179.25 180.11 2ftu h HIS 63 N 0.70 0.87 0.65 0.00 -0.00 -0.20 0.22 115.15 117.40 2ftu h HIS 63 Ca 0.35 -0.28 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2ftu h HIS 63 Cb 0.29 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.53 2ftu h HIS 63 CO -0.08 1.04 -0.31 1.49 -0.00 0.00 0.00 177.93 180.07 2ftu h GLU 64 N 0.57 -0.84 0.00 5.26 4.81 -0.94 -1.37 114.58 122.07 2ftu h GLU 64 Ca 0.03 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2ftu h GLU 64 Cb 1.02 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2ftu h GLU 64 CO 0.10 -0.56 -0.04 1.57 -0.73 0.00 0.00 179.01 179.34 2ftu h LYS 65 N -0.95 0.00 0.53 1.92 2.10 -1.30 -1.71 116.57 117.16 2ftu h LYS 65 Ca -0.09 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 2ftu h LYS 65 Cb 0.67 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2ftu h LYS 65 CO 0.15 0.04 -0.25 1.25 -2.00 0.00 0.00 179.45 178.63 2ftu h LEU 66 N 0.00 -0.60 -1.72 7.07 5.85 -0.49 -1.01 115.31 124.40 2ftu h LEU 66 Ca -0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2ftu h LEU 66 Cb 0.30 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2ftu h LEU 66 CO 0.01 -0.31 0.26 0.03 -0.34 0.00 0.00 178.44 178.09 2ftu h ARG 67 N -0.95 0.35 -0.14 1.25 3.08 -0.66 0.41 114.38 117.71 2ftu h ARG 67 Ca -0.07 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.75 2ftu h ARG 67 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2ftu h ARG 67 CO 0.12 0.23 -0.73 1.25 -1.07 0.00 0.00 179.97 179.76 2ftu h HIS 68 N 0.36 0.86 -0.00 3.04 2.76 -1.40 -2.52 115.15 118.25 2ftu h HIS 68 Ca 0.17 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2ftu h HIS 68 Cb 0.22 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2ftu h HIS 68 CO -0.00 1.17 -0.06 0.00 -1.30 0.00 0.00 177.93 177.74 2ftu n ALA 69 N -2.56 2.68 -0.03 5.26 0.00 0.17 -2.00 120.51 124.03 2ftu n ALA 69 Ca -0.06 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 2ftu n ALA 69 Cb 0.72 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 2ftu n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ftu h GLU 70 N 0.51 0.13 0.00 0.00 5.08 -0.31 -3.35 114.58 116.64 2ftu h GLU 70 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ftu h GLU 70 Cb 0.28 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ftu h GLU 70 CO 0.00 0.88 0.00 0.43 -1.00 0.00 0.00 179.01 179.32 2ftu n SER 71 N -4.56 0.00 0.04 1.42 7.64 -0.84 -1.35 113.62 115.96 2ftu n SER 71 Ca -0.10 -0.67 0.11 0.00 1.01 0.00 0.00 58.87 59.22 2ftu n SER 71 Cb 0.47 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.57 2ftu n SER 71 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ftu n VAL 72 N -0.58 0.30 -1.58 0.44 0.24 -0.99 -5.04 118.33 111.12 2ftu n VAL 72 Ca 0.01 -0.53 -0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2ftu n VAL 72 Cb 0.01 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 2ftu n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ftu n GLY 73 N 1.24 -2.72 3.57 7.63 0.00 -0.46 -5.12 105.19 109.33 2ftu n GLY 73 Ca -0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2ftu n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ftu s ASP 74 N -0.20 0.42 0.11 1.61 -1.08 -1.26 -5.08 116.67 111.18 2ftu s ASP 74 Ca 0.00 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 2ftu s ASP 74 Cb -0.00 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 2ftu s ASP 74 CO 0.05 -1.30 0.00 0.61 0.52 0.00 0.00 175.17 175.05 2ftu n GLY 75 N -0.49 -0.11 0.12 2.66 0.00 -1.26 -4.72 105.19 101.38 2ftu n GLY 75 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.05 0.00 1.61 4.81 -1.99 -0.31 114.58 118.64 2ftu h GLU 76 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2ftu h GLU 76 Cb 0.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2ftu h GLU 76 CO 0.00 -0.03 -0.36 0.07 -0.73 0.00 0.00 179.01 177.95 2ftu h ARG 77 N -0.05 0.00 0.34 1.92 0.11 -1.94 0.26 114.38 115.01 2ftu h ARG 77 Ca 0.08 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.14 2ftu h ARG 77 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2ftu h ARG 77 CO -0.17 0.36 -0.16 0.28 0.10 0.00 0.00 179.97 180.38 2ftu h VAL 78 N 0.00 0.65 0.33 0.08 2.07 -1.66 -0.93 116.25 116.79 2ftu h VAL 78 Ca -0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2ftu h VAL 78 Cb 0.70 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2ftu h VAL 78 CO 0.05 0.10 -0.41 0.28 0.02 0.00 0.00 177.57 177.60 2ftu h SER 79 N -0.76 -1.14 -0.56 0.57 0.02 -0.83 -0.12 113.55 110.73 2ftu h SER 79 Ca -0.05 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2ftu h SER 79 Cb 0.51 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 2ftu h SER 79 CO 0.08 -0.54 0.37 -0.09 -1.14 0.00 0.00 176.83 175.51 2ftu h ARG 80 N -0.78 0.64 0.37 3.45 2.43 -1.01 0.99 114.38 120.46 2ftu h ARG 80 Ca -0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2ftu h ARG 80 Cb 0.72 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2ftu h ARG 80 CO -0.11 0.43 -0.19 0.77 -1.51 0.00 0.00 179.97 179.35 2ftu h SER 81 N 0.66 -0.46 -0.87 -3.80 0.02 -0.81 -1.77 113.55 106.52 2ftu h SER 81 Ca 0.22 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.37 2ftu h SER 81 Cb 0.07 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 2ftu h SER 81 CO -0.06 -0.31 0.57 0.03 -1.14 0.00 0.00 176.83 175.92 2ftu h ARG 82 N -0.51 0.48 0.28 3.45 3.08 0.10 0.87 114.38 122.12 2ftu h ARG 82 Ca -0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2ftu h ARG 82 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2ftu h ARG 82 CO 0.07 0.31 -0.18 1.49 -1.07 0.00 0.00 179.97 180.60 2ftu h GLU 83 N 0.49 -0.43 0.00 0.04 4.81 -0.88 0.27 114.58 118.88 2ftu h GLU 83 Ca 0.45 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.63 2ftu h GLU 83 Cb 0.98 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2ftu h GLU 83 CO -0.18 -0.29 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.22 2ftu h LYS 84 N -0.45 0.00 0.08 1.92 3.11 -0.14 -1.89 116.57 119.21 2ftu h LYS 84 Ca -0.02 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2ftu h LYS 84 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 2ftu h LYS 84 CO 0.02 0.37 -0.04 0.45 -2.81 0.00 0.00 179.45 177.44 2ftu h HIS 85 N 0.00 -0.10 -0.71 1.91 3.86 -0.52 -0.75 115.15 118.84 2ftu h HIS 85 Ca -0.00 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2ftu h HIS 85 Cb 0.66 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.10 2ftu h HIS 85 CO 0.00 0.15 0.40 0.00 0.86 0.00 0.00 177.93 179.34 2ftu h ALA 86 N 0.54 0.96 0.16 2.45 0.00 -0.66 0.23 119.26 122.95 2ftu h ALA 86 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ftu h ALA 86 Cb 0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2ftu h ALA 86 CO 0.02 0.07 -0.47 1.25 0.00 0.00 0.00 179.25 180.12 2ftu h LEU 87 N 0.72 -1.38 -0.50 0.00 5.85 -1.31 -0.09 115.31 118.61 2ftu h LEU 87 Ca 0.32 0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.22 2ftu h LEU 87 Cb 0.21 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2ftu h LEU 87 CO -0.19 -0.54 0.27 -0.07 -0.34 0.00 0.00 178.44 177.58 2ftu h LEU 88 N -0.73 0.42 -1.10 2.25 4.07 -0.08 -1.79 115.31 118.34 2ftu h LEU 88 Ca 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 2ftu h LEU 88 Cb 0.73 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 2ftu h LEU 88 CO -0.24 0.29 0.00 -0.33 -1.08 0.00 0.00 178.44 177.08 2ftu h GLU 89 N 0.54 0.63 -0.11 1.13 4.39 -0.49 0.50 114.58 121.16 2ftu h GLU 89 Ca 0.21 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2ftu h GLU 89 Cb 0.08 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2ftu h GLU 89 CO -0.13 0.65 -0.04 0.78 -1.16 0.00 0.00 179.01 179.11 2ftu h GLY 90 N 0.90 0.07 1.02 -3.84 0.00 -0.56 -1.91 103.07 98.74 2ftu h GLY 90 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 2ftu h GLY 90 CO 0.01 -0.06 0.35 -0.09 0.00 0.00 0.00 176.54 176.75 2ftu h ARG 91 N -0.02 1.08 -0.19 4.80 1.12 -0.42 -0.90 114.38 119.85 2ftu h ARG 91 Ca 0.06 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 58.76 2ftu h ARG 91 Cb 0.11 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 2ftu h ARG 91 CO -0.13 0.85 0.09 1.79 -3.11 0.00 0.00 179.97 179.47 2ftu h THR 92 N 1.05 1.12 0.56 0.20 1.35 -0.74 -0.35 112.91 116.11 2ftu h THR 92 Ca 0.25 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2ftu h THR 92 Cb 0.14 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2ftu h THR 92 CO -0.03 0.12 -0.30 0.11 -0.25 0.00 0.00 175.52 175.17 2ftu h LYS 93 N 0.18 -0.77 -0.65 4.72 1.57 -1.26 -0.72 116.57 119.63 2ftu h LYS 93 Ca 0.06 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2ftu h LYS 93 Cb 0.11 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2ftu h LYS 93 CO -0.01 -0.51 0.33 1.49 -0.57 0.00 0.00 179.45 180.18 2ftu h GLU 94 N -0.80 0.94 -0.38 3.15 4.57 -1.07 0.70 114.58 121.69 2ftu h GLU 94 Ca -0.07 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 2ftu h GLU 94 Cb 0.63 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2ftu h GLU 94 CO 0.10 0.73 -0.12 1.25 -1.18 0.00 0.00 179.01 179.80 2ftu h LEU 95 N 0.90 0.76 -0.51 1.64 7.12 -1.06 -0.98 115.31 123.19 2ftu h LEU 95 Ca 0.23 -0.37 0.06 0.00 0.13 0.00 0.00 57.88 57.92 2ftu h LEU 95 Cb 0.10 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 39.97 2ftu h LEU 95 CO -0.03 0.96 0.23 1.23 -0.13 0.00 0.00 178.44 180.70 2ftu h GLY 96 N 0.56 0.70 0.50 3.75 0.00 -0.53 0.17 103.07 108.22 2ftu h GLY 96 Ca 0.09 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.32 2ftu h GLY 96 CO 0.04 0.07 -0.11 -1.82 0.00 0.00 0.00 176.54 174.72 2ftu h TYR 97 N 0.44 -0.27 0.03 5.60 3.20 -0.75 0.43 116.97 125.66 2ftu h TYR 97 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2ftu h TYR 97 Cb 0.19 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 2ftu h TYR 97 CO -0.13 -0.17 -0.03 1.15 -1.64 0.00 0.00 178.16 177.34 2ftu h THR 98 N -0.11 0.92 -0.48 1.81 2.02 -0.26 -1.13 112.91 115.69 2ftu h THR 98 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 2ftu h THR 98 Cb 0.26 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 2ftu h THR 98 CO -0.24 0.00 0.07 0.58 0.37 0.00 0.00 175.52 176.30 2ftu h VAL 99 N -0.08 0.71 0.09 3.16 2.07 -0.53 -0.93 116.25 120.74 2ftu h VAL 99 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2ftu h VAL 99 Cb 0.08 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2ftu h VAL 99 CO -0.01 0.04 -0.06 0.50 0.02 0.00 0.00 177.57 178.05 2ftu h LYS 100 N 0.20 -0.15 0.08 1.57 3.64 -0.37 0.20 116.57 121.75 2ftu h LYS 100 Ca 0.24 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2ftu h LYS 100 Cb 0.32 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2ftu h LYS 100 CO -0.33 -0.10 -0.04 0.87 -2.27 0.00 0.00 179.45 177.58 2ftu h LYS 101 N -0.15 -0.11 -0.55 1.90 1.57 -0.93 -1.32 116.57 116.98 2ftu h LYS 101 Ca -0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ftu h LYS 101 Cb 0.13 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2ftu h LYS 101 CO 0.01 0.06 0.34 0.45 -0.57 0.00 0.00 179.45 179.73 2ftu h HIS 102 N -0.26 0.71 -0.22 -1.35 3.86 -1.12 -0.64 115.15 116.14 2ftu h HIS 102 Ca -0.01 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2ftu h HIS 102 Cb 0.22 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 2ftu h HIS 102 CO -0.03 0.47 -0.13 -0.07 0.86 0.00 0.00 177.93 179.04 2ftu h LEU 103 N 0.76 -0.42 -1.19 2.43 3.38 -0.24 0.18 115.31 120.20 2ftu h LEU 103 Ca 0.20 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2ftu h LEU 103 Cb -0.04 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2ftu h LEU 103 CO -0.04 -0.17 0.22 -0.61 0.09 0.00 0.00 178.44 177.93 2ftu h GLN 104 N -0.11 0.78 0.48 1.13 4.15 -0.14 0.34 115.11 121.74 2ftu h GLN 104 Ca 0.12 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2ftu h GLN 104 Cb 0.30 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2ftu h GLN 104 CO -0.29 0.64 -0.23 0.22 -1.93 0.00 0.00 178.83 177.24 2ftu h ASP 105 N 0.77 -0.55 0.09 -0.69 3.58 -0.60 -0.48 116.42 118.54 2ftu h ASP 105 Ca 0.19 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.59 2ftu h ASP 105 Cb 0.15 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 2ftu h ASP 105 CO -0.02 -0.16 -0.45 -0.07 -2.88 0.00 0.00 179.24 175.66 2ftu h LEU 106 N -1.04 -1.35 -0.87 2.28 3.38 -0.49 0.21 115.31 117.43 2ftu h LEU 106 Ca -0.07 0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2ftu h LEU 106 Cb 0.58 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2ftu h LEU 106 CO 0.11 -0.51 -0.37 0.28 0.09 0.00 0.00 178.44 178.05 2ftu h SER 107 N -0.67 0.40 -0.76 -0.43 0.02 -1.07 0.11 113.55 111.15 2ftu h SER 107 Ca 0.02 -0.16 0.16 0.00 -0.84 0.00 0.00 61.79 60.97 2ftu h SER 107 Cb 0.70 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2ftu h SER 107 CO -0.27 0.74 0.51 1.23 -1.14 0.00 0.00 176.83 177.90 2ftu h GLY 108 N 1.12 0.63 0.00 -3.77 0.00 0.26 -1.65 103.07 99.66 2ftu h GLY 108 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2ftu h GLY 108 CO 0.06 0.04 -0.00 3.21 0.00 0.00 0.00 176.54 179.85 2ftu h ARG 109 N 0.36 -0.00 -0.01 4.80 -0.00 0.06 -3.40 114.38 116.18 2ftu h ARG 109 Ca 0.38 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.78 2ftu h ARG 109 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.91 2ftu h ARG 109 CO -0.11 -0.00 -0.38 0.82 0.00 0.00 0.00 179.97 180.30 2ftu h ILE 110 N -0.25 1.27 0.00 2.04 2.04 -0.79 0.10 117.51 121.92 2ftu h ILE 110 Ca -0.00 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.55 2ftu h ILE 110 Cb 0.00 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2ftu h ILE 110 CO 0.00 0.38 0.00 0.28 0.00 0.00 0.00 178.15 178.81 2ftu h SER 111 N 0.02 0.00 0.00 1.72 0.02 -1.52 -2.82 113.55 110.97 2ftu h SER 111 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2ftu h SER 111 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2ftu h SER 111 CO 0.05 0.00 -1.06 -1.14 -1.14 0.00 0.00 176.83 173.54 2ftu n ARG 112 N -2.71 0.52 -3.47 3.45 3.00 -0.51 -5.08 116.66 111.86 2ftu n ARG 112 Ca -0.02 0.29 -0.31 0.00 -0.00 0.00 0.00 57.85 57.81 2ftu n ARG 112 Cb 0.09 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 31.08 2ftu n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ftu n ALA 113 N -4.24 -2.50 -0.43 5.13 0.00 0.24 -4.98 120.51 113.73 2ftu n ALA 113 Ca -0.17 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2ftu n ALA 113 Cb 0.51 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2ftu n ALA 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ftu n ARG 114 N -0.77 0.00 0.00 0.00 1.74 -1.26 -5.02 116.66 111.35 2ftu n ARG 114 Ca -0.11 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2ftu n ARG 114 Cb 0.65 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 2ftu n ARG 114 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2ftu n HIS 115 N -1.36 0.00 -3.80 -1.55 8.25 -1.26 -5.03 115.22 110.47 2ftu n HIS 115 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2ftu n HIS 115 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 2ftu n HIS 115 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ftu n ASN 116 N 0.00 -4.79 -1.36 0.41 5.15 -1.26 -4.62 115.26 108.79 2ftu n ASN 116 Ca 0.00 -0.72 0.16 0.00 -0.60 0.00 0.00 54.58 53.43 2ftu n ASN 116 Cb 0.00 -4.24 -0.06 0.00 -0.53 0.00 0.00 39.78 34.94 2ftu n ASN 116 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ftu n GLU 117 N -4.72 -2.83 0.00 1.20 4.71 -1.26 -5.01 120.64 112.73 2ftu n GLU 117 Ca -0.01 2.15 0.00 0.00 -0.01 0.00 0.00 57.16 59.29 2ftu n GLU 117 Cb 0.55 -3.43 0.00 0.00 -1.01 0.00 0.00 31.44 27.55 2ftu n GLU 117 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50