#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixx s PRO 3 N 0.01 4.06 -0.33 0.00 0.02 -1.26 -4.75 135.00 132.75 1ixx s PRO 3 Ca 0.08 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 1ixx s PRO 3 Cb -0.12 -4.14 -0.09 0.00 0.02 0.00 0.00 34.50 30.17 1ixx s PRO 3 CO 0.00 -1.04 1.38 -1.13 -0.33 0.00 0.00 177.00 175.88 1ixx n SER 4 N 7.82 -1.43 0.00 2.53 3.41 -1.26 -0.44 113.62 124.25 1ixx n SER 4 Ca 0.20 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1ixx n SER 4 Cb 0.42 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1ixx n SER 4 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ixx n ASP 5 N 6.83 0.00 -4.87 4.04 5.75 -1.26 -5.13 116.55 121.91 1ixx n ASP 5 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.63 1ixx n ASP 5 Cb 0.43 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.47 1ixx n ASP 5 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1ixx s TRP 6 N 0.00 3.48 0.13 2.11 0.52 0.42 -4.88 118.94 120.72 1ixx s TRP 6 Ca 0.00 0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.47 1ixx s TRP 6 Cb 0.00 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1ixx s TRP 6 CO 0.00 0.62 0.16 -1.12 0.02 0.00 0.00 176.95 176.63 1ixx s SER 7 N -1.93 5.78 -0.08 2.95 0.01 0.11 -4.60 113.70 115.94 1ixx s SER 7 Ca 0.27 0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.52 1ixx s SER 7 Cb -0.12 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1ixx s SER 7 CO 0.18 0.10 -0.03 -0.44 0.41 0.00 0.00 173.24 173.46 1ixx s SER 8 N -2.91 5.00 -0.23 2.44 0.01 -1.26 0.51 113.70 117.26 1ixx s SER 8 Ca 0.32 0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.57 1ixx s SER 8 Cb -0.11 -1.37 0.10 0.00 0.21 0.00 0.00 66.02 64.86 1ixx s SER 8 CO 0.25 0.36 0.48 -0.47 0.41 0.00 0.00 173.24 174.27 1ixx s TYR 9 N -0.81 -0.95 -1.33 2.43 5.04 -0.42 -4.97 117.35 116.33 1ixx s TYR 9 Ca 0.12 1.73 -0.17 0.00 -2.44 0.00 0.00 57.07 56.31 1ixx s TYR 9 Cb -0.11 0.43 0.02 0.00 0.35 0.00 0.00 41.96 42.65 1ixx s TYR 9 CO 0.02 -0.54 0.45 0.39 -1.34 0.00 0.00 175.55 174.53 1ixx n GLU 10 N 5.41 -1.05 -1.05 4.97 1.02 -1.26 -1.28 120.64 127.40 1ixx n GLU 10 Ca -0.09 0.18 -0.02 0.00 -0.02 0.00 0.00 57.16 57.21 1ixx n GLU 10 Cb 0.49 -3.36 -0.01 0.00 -0.02 0.00 0.00 31.44 28.54 1ixx n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ixx n GLY 11 N -2.17 0.49 3.35 0.62 0.00 -1.26 -5.01 105.19 101.20 1ixx n GLY 11 Ca -0.20 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1ixx n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ixx s HIS 12 N -1.83 1.98 -0.13 1.61 3.76 -0.40 -2.91 115.29 117.37 1ixx s HIS 12 Ca 0.00 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1ixx s HIS 12 Cb 0.00 -1.01 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 1ixx s HIS 12 CO 0.00 0.35 -0.05 0.00 -0.85 0.00 0.00 174.74 174.18 1ixx s TYR 14 N -0.02 1.51 -0.25 0.00 1.51 0.18 -1.34 117.35 118.95 1ixx s TYR 14 Ca 0.00 -0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1ixx s TYR 14 Cb -0.13 -0.85 0.10 0.00 -0.11 0.00 0.00 41.96 40.96 1ixx s TYR 14 CO 0.03 0.12 0.56 0.21 -1.11 0.00 0.00 175.55 175.35 1ixx s LYS 15 N -1.65 0.51 0.25 -0.62 2.20 -0.21 0.07 119.74 120.29 1ixx s LYS 15 Ca 0.03 1.18 -0.20 0.00 -0.36 0.00 0.00 55.97 56.62 1ixx s LYS 15 Cb -0.10 0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 36.54 1ixx s LYS 15 CO 0.03 -0.19 0.75 -2.14 -0.36 0.00 0.00 175.35 173.44 1ixx s PRO 16 N 2.26 4.25 0.01 4.03 0.02 -1.26 -0.81 135.00 143.51 1ixx s PRO 16 Ca -0.06 0.90 0.07 0.00 0.02 0.00 0.00 61.00 61.93 1ixx s PRO 16 Cb -0.10 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.61 1ixx s PRO 16 CO -0.17 0.34 -0.23 -0.06 -0.33 0.00 0.00 177.00 176.56 1ixx s PHE 17 N -1.61 2.00 -0.03 6.54 0.40 0.38 -4.98 117.98 120.68 1ixx s PHE 17 Ca 0.46 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 56.18 1ixx s PHE 17 Cb -0.16 -1.24 -0.25 0.00 0.51 0.00 0.00 43.02 41.89 1ixx s PHE 17 CO 0.21 0.04 1.03 0.77 0.70 0.00 0.00 175.22 177.96 1ixx h SER 18 N 5.20 0.37 -2.35 1.36 0.02 -1.99 -3.26 113.55 112.91 1ixx h SER 18 Ca -0.42 -0.80 -0.56 0.00 -0.84 0.00 0.00 61.79 59.17 1ixx h SER 18 Cb 1.14 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1ixx h SER 18 CO 0.46 1.13 1.29 -1.61 -1.14 0.00 0.00 176.83 176.95 1ixx s GLU 19 N -3.04 3.72 0.18 3.45 0.41 -1.26 -4.85 118.70 117.31 1ixx s GLU 19 Ca -0.15 2.18 -0.31 0.00 -0.41 0.00 0.00 54.97 56.28 1ixx s GLU 19 Cb 0.02 -4.20 -0.10 0.00 -1.78 0.00 0.00 34.13 28.07 1ixx s GLU 19 CO 0.78 -1.42 1.52 -2.14 -0.49 0.00 0.00 175.26 173.51 1ixx s PRO 20 N 5.13 4.24 0.12 0.39 0.02 -1.26 -4.79 135.00 138.84 1ixx s PRO 20 Ca 0.88 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 64.19 1ixx s PRO 20 Cb -0.35 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 1ixx s PRO 20 CO 0.36 -0.55 0.07 0.15 -0.33 0.00 0.00 177.00 176.70 1ixx s LYS 21 N 0.80 0.88 0.84 5.54 1.02 -0.46 -4.82 119.74 123.54 1ixx s LYS 21 Ca 0.67 -1.34 -0.12 0.00 0.02 0.00 0.00 55.97 55.20 1ixx s LYS 21 Cb -0.43 0.26 0.09 0.00 -0.52 0.00 0.00 37.83 37.24 1ixx s LYS 21 CO 0.34 -0.25 1.16 0.54 -0.92 0.00 0.00 175.35 176.22 1ixx s ASN 22 N -3.00 4.23 0.12 2.83 2.20 -1.25 -2.40 114.94 117.66 1ixx s ASN 22 Ca 0.19 0.89 -0.28 0.00 -0.94 0.00 0.00 52.86 52.72 1ixx s ASN 22 Cb 0.07 -1.44 -0.07 0.00 -2.00 0.00 0.00 41.25 37.81 1ixx s ASN 22 CO -0.02 -2.09 1.62 -0.25 -2.94 0.00 0.00 177.10 173.42 1ixx h TRP 23 N -1.18 -0.86 -0.15 1.54 7.01 -1.58 -1.72 115.95 119.01 1ixx h TRP 23 Ca -0.47 0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.59 1ixx h TRP 23 Cb 1.32 0.37 -0.07 0.00 -2.10 0.00 0.00 29.16 28.69 1ixx h TRP 23 CO 0.32 -0.42 -0.46 0.00 -2.79 0.00 0.00 178.44 175.09 1ixx h ALA 24 N 0.17 -0.68 -0.74 2.65 0.00 -1.94 -0.28 119.26 118.44 1ixx h ALA 24 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1ixx h ALA 24 Cb 0.56 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1ixx h ALA 24 CO -0.21 -0.98 0.42 -0.44 0.00 0.00 0.00 179.25 178.03 1ixx h ASP 25 N -0.52 0.62 -0.82 0.00 3.32 -1.93 -1.06 116.42 116.04 1ixx h ASP 25 Ca 0.07 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1ixx h ASP 25 Cb 0.65 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1ixx h ASP 25 CO -0.42 0.38 0.43 0.00 -1.72 0.00 0.00 179.24 177.92 1ixx h ALA 26 N 1.39 1.05 -0.24 3.45 0.00 -0.66 0.16 119.26 124.41 1ixx h ALA 26 Ca 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ixx h ALA 26 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ixx h ALA 26 CO -0.20 0.57 0.05 1.49 0.00 0.00 0.00 179.25 181.16 1ixx h GLU 27 N 1.14 0.39 -0.17 0.00 4.57 -0.38 -2.06 114.58 118.07 1ixx h GLU 27 Ca 0.29 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1ixx h GLU 27 Cb 0.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1ixx h GLU 27 CO -0.04 0.51 -0.15 -0.97 -1.18 0.00 0.00 179.01 177.18 1ixx h ASN 28 N 0.21 0.26 -0.22 1.04 -1.24 -0.91 -2.76 115.58 111.96 1ixx h ASN 28 Ca 0.07 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1ixx h ASN 28 Cb 0.31 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1ixx h ASN 28 CO 0.00 0.43 0.03 0.15 -1.29 0.00 0.00 177.43 176.75 1ixx h PHE 29 N 0.25 0.39 -0.91 0.67 3.04 -0.39 -2.87 116.94 117.14 1ixx h PHE 29 Ca 0.05 -0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.00 1ixx h PHE 29 Cb 0.42 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.77 1ixx h PHE 29 CO 0.01 0.51 0.59 0.00 -2.02 0.00 0.00 178.31 177.40 1ixx h THR 31 N 1.07 1.22 0.00 0.00 1.35 -1.37 -1.78 112.91 113.39 1ixx h THR 31 Ca 0.38 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1ixx h THR 31 Cb 0.14 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1ixx h THR 31 CO -0.13 0.27 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 1ixx n GLN 32 N -4.49 0.09 0.16 4.72 6.02 -0.80 -2.95 117.38 120.13 1ixx n GLN 32 Ca 0.03 0.18 0.08 0.00 -0.01 0.00 0.00 57.00 57.28 1ixx n GLN 32 Cb 0.16 -1.62 0.08 0.00 1.02 0.00 0.00 30.24 29.87 1ixx n GLN 32 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1ixx h GLN 33 N 0.00 0.00 -1.45 -1.09 5.75 -0.29 -3.48 115.11 114.55 1ixx h GLN 33 Ca 0.00 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1ixx h GLN 33 Cb 0.46 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 28.78 1ixx h GLN 33 CO 0.00 0.21 0.74 -1.58 -2.65 0.00 0.00 178.83 175.55 1ixx s HIS 34 N -3.11 -0.20 0.10 3.99 2.46 -1.15 -5.03 115.29 112.35 1ixx s HIS 34 Ca 0.04 0.26 -0.31 0.00 0.47 0.00 0.00 55.06 55.52 1ixx s HIS 34 Cb 0.07 0.49 -0.10 0.00 -0.13 0.00 0.00 32.58 32.91 1ixx s HIS 34 CO 0.72 -0.23 1.86 0.00 -2.47 0.00 0.00 174.74 174.63 1ixx s ALA 35 N -1.68 3.71 0.00 1.58 0.00 -1.26 -0.05 121.76 124.07 1ixx s ALA 35 Ca 0.05 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1ixx s ALA 35 Cb -0.01 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1ixx s ALA 35 CO -0.04 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.81 1ixx n GLY 36 N 4.31 0.50 3.77 0.00 0.00 -1.26 -4.73 105.19 107.78 1ixx n GLY 36 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ixx n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ixx s GLY 37 N -2.00 2.99 0.28 -0.02 0.00 0.93 -4.59 107.32 104.91 1ixx s GLY 37 Ca 0.00 1.32 -0.17 0.00 0.00 0.00 0.00 44.72 45.88 1ixx s GLY 37 CO 0.00 1.98 0.63 0.30 0.00 0.00 0.00 173.10 176.01 1ixx s HIS 38 N -1.14 0.10 0.38 1.90 3.76 -0.63 -3.42 115.29 116.24 1ixx s HIS 38 Ca 0.50 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 54.62 1ixx s HIS 38 Cb -0.41 0.51 -0.09 0.00 1.11 0.00 0.00 32.58 33.70 1ixx s HIS 38 CO 0.55 -1.19 1.06 -1.17 -0.85 0.00 0.00 174.74 173.14 1ixx s LEU 39 N -2.99 4.20 0.18 0.89 2.96 -1.26 -0.47 118.68 122.18 1ixx s LEU 39 Ca 0.16 2.08 -0.33 0.00 -0.22 0.00 0.00 54.13 55.83 1ixx s LEU 39 Cb -0.04 -4.10 -0.15 0.00 0.50 0.00 0.00 46.19 42.40 1ixx s LEU 39 CO 0.09 -0.46 1.29 0.55 -1.32 0.00 0.00 176.35 176.50 1ixx n VAL 40 N 0.10 0.74 -5.18 1.68 3.14 -0.34 -3.96 118.33 114.51 1ixx n VAL 40 Ca 0.04 -0.19 -0.32 0.00 -2.96 0.00 0.00 64.34 60.92 1ixx n VAL 40 Cb 0.49 -1.09 -0.17 0.00 -1.06 0.00 0.00 33.84 32.01 1ixx n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ixx s SER 41 N 0.21 3.18 -0.33 6.55 1.04 -1.26 0.31 113.70 123.40 1ixx s SER 41 Ca 0.73 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 1ixx s SER 41 Cb -0.79 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.94 1ixx s SER 41 CO 0.50 0.17 0.26 -0.36 0.98 0.00 0.00 173.24 174.79 1ixx s PHE 42 N 0.29 3.22 -0.74 5.02 0.08 -1.26 -4.91 117.98 119.68 1ixx s PHE 42 Ca -0.17 -0.09 0.19 0.00 0.12 0.00 0.00 56.93 56.98 1ixx s PHE 42 Cb -0.17 -2.50 -0.22 0.00 -0.57 0.00 0.00 43.02 39.56 1ixx s PHE 42 CO 0.08 -0.33 0.73 1.04 -0.10 0.00 0.00 175.22 176.64 1ixx n GLN 43 N 5.16 0.81 -3.96 0.44 3.00 -1.26 -5.01 117.38 116.56 1ixx n GLN 43 Ca -0.12 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.75 1ixx n GLN 43 Cb 0.50 -1.39 -0.03 0.00 0.00 0.00 0.00 30.24 29.32 1ixx n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ixx s SER 44 N -3.00 0.07 0.17 1.08 1.04 -1.26 -5.05 113.70 106.75 1ixx s SER 44 Ca 0.05 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.50 1ixx s SER 44 Cb 0.14 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.94 1ixx s SER 44 CO 0.77 -1.29 1.39 -1.28 0.98 0.00 0.00 173.24 173.81 1ixx h SER 45 N 2.14 0.24 0.36 7.02 0.87 -1.99 -2.94 113.55 119.25 1ixx h SER 45 Ca -0.26 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 59.97 1ixx h SER 45 Cb 1.25 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1ixx h SER 45 CO 0.35 0.99 -0.56 1.05 -0.53 0.00 0.00 176.83 178.12 1ixx h GLU 46 N 0.11 0.21 -0.14 2.24 9.09 -1.99 -1.13 114.58 122.96 1ixx h GLU 46 Ca -0.04 -0.13 -0.19 0.00 0.05 0.00 0.00 59.36 59.04 1ixx h GLU 46 Cb 1.47 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.59 1ixx h GLU 46 CO 0.13 0.71 -0.70 1.49 0.05 0.00 0.00 179.01 180.69 1ixx h GLU 47 N 0.16 0.61 -0.01 1.06 4.81 -1.97 -2.45 114.58 116.79 1ixx h GLU 47 Ca -0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ixx h GLU 47 Cb 1.03 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1ixx h GLU 47 CO 0.08 1.09 0.00 0.00 -0.73 0.00 0.00 179.01 179.46 1ixx h ALA 48 N 0.79 0.01 -0.19 2.92 0.00 -1.31 -1.60 119.26 119.87 1ixx h ALA 48 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ixx h ALA 48 Cb 1.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ixx h ALA 48 CO 0.13 -0.48 0.03 -0.44 0.00 0.00 0.00 179.25 178.49 1ixx h ASP 49 N -0.01 0.24 0.11 0.00 5.19 -1.18 -0.76 116.42 120.01 1ixx h ASP 49 Ca 0.00 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1ixx h ASP 49 Cb 0.02 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1ixx h ASP 49 CO -0.00 0.26 -0.05 0.15 -3.12 0.00 0.00 179.24 176.48 1ixx h PHE 50 N 0.27 -0.14 -0.46 4.55 3.57 -1.03 -2.72 116.94 120.98 1ixx h PHE 50 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ixx h PHE 50 Cb 0.13 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ixx h PHE 50 CO 0.00 0.25 0.27 0.28 -2.23 0.00 0.00 178.31 176.88 1ixx h VAL 51 N -0.56 1.15 -0.20 1.41 2.07 -1.00 -0.63 116.25 118.50 1ixx h VAL 51 Ca -0.02 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ixx h VAL 51 Cb 0.45 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1ixx h VAL 51 CO 0.03 0.16 0.03 0.58 0.02 0.00 0.00 177.57 178.39 1ixx h VAL 52 N 0.61 0.91 -0.12 2.57 2.07 -1.19 0.18 116.25 121.28 1ixx h VAL 52 Ca 0.17 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.53 1ixx h VAL 52 Cb 0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1ixx h VAL 52 CO -0.03 0.02 -0.44 0.07 0.02 0.00 0.00 177.57 177.21 1ixx h LYS 53 N 0.11 0.29 -0.10 1.57 2.10 -1.40 -1.02 116.57 118.11 1ixx h LYS 53 Ca 0.09 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1ixx h LYS 53 Cb 0.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1ixx h LYS 53 CO -0.12 0.68 0.06 1.25 -2.00 0.00 0.00 179.45 179.31 1ixx h LEU 54 N 0.24 0.12 -0.51 7.07 5.85 -0.28 0.17 115.31 127.97 1ixx h LEU 54 Ca 0.02 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ixx h LEU 54 Cb 0.87 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1ixx h LEU 54 CO 0.07 0.14 0.33 0.00 -0.34 0.00 0.00 178.44 178.63 1ixx h ALA 55 N 0.99 0.65 -0.39 1.25 0.00 -0.38 -0.33 119.26 121.05 1ixx h ALA 55 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ixx h ALA 55 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ixx h ALA 55 CO -0.01 0.06 0.12 0.35 0.00 0.00 0.00 179.25 179.77 1ixx h PHE 56 N 0.66 0.63 -0.41 0.00 3.04 -0.91 0.65 116.94 120.60 1ixx h PHE 56 Ca 0.19 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1ixx h PHE 56 Cb -0.04 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 1ixx h PHE 56 CO -0.05 0.60 0.27 1.96 -2.02 0.00 0.00 178.31 179.07 1ixx h GLN 57 N 0.49 0.54 0.06 1.11 4.20 -0.20 0.27 115.11 121.57 1ixx h GLN 57 Ca 0.13 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.61 1ixx h GLN 57 Cb 0.27 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1ixx h GLN 57 CO -0.00 0.36 -1.02 1.15 -0.67 0.00 0.00 178.83 178.65 1ixx h THR 58 N 0.55 1.21 0.00 -0.54 2.02 -0.82 -3.43 112.91 111.91 1ixx h THR 58 Ca 0.15 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1ixx h THR 58 Cb -0.05 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1ixx h THR 58 CO -0.03 0.59 -0.25 0.49 0.37 0.00 0.00 175.52 176.68 1ixx n PHE 59 N -4.22 0.00 -4.77 3.16 3.72 0.20 -5.10 117.46 110.45 1ixx n PHE 59 Ca -0.23 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 1ixx n PHE 59 Cb 0.75 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1ixx n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ixx n GLY 60 N -0.58 0.70 3.55 1.37 0.00 0.93 -4.61 105.19 106.56 1ixx n GLY 60 Ca 0.06 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1ixx n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ixx s HIS 61 N 0.00 2.06 0.00 1.61 5.65 -1.26 -4.34 115.29 119.00 1ixx s HIS 61 Ca 0.00 0.24 0.00 0.00 0.25 0.00 0.00 55.06 55.55 1ixx s HIS 61 Cb 0.00 -4.43 0.00 0.00 -1.18 0.00 0.00 32.58 26.97 1ixx s HIS 61 CO 0.00 -2.16 0.00 0.45 -0.65 0.00 0.00 174.74 172.38 1ixx n SER 62 N 10.64 0.00 -4.23 9.88 2.88 -1.26 -5.04 113.62 126.49 1ixx n SER 62 Ca 0.10 -0.90 -0.27 0.00 -1.33 0.00 0.00 58.87 56.48 1ixx n SER 62 Cb 0.50 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 1ixx n SER 62 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1ixx s ILE 63 N -2.80 1.65 0.01 2.46 -4.36 -1.26 -2.12 121.20 114.78 1ixx s ILE 63 Ca 0.00 -0.98 0.03 0.00 -0.26 0.00 0.00 60.65 59.43 1ixx s ILE 63 Cb 0.00 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 1ixx s ILE 63 CO 0.00 0.39 -0.09 -0.36 0.24 0.00 0.00 174.94 175.12 1ixx s PHE 64 N -0.58 0.77 0.43 1.37 0.40 0.35 -1.12 117.98 119.60 1ixx s PHE 64 Ca 0.08 -0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 1ixx s PHE 64 Cb -0.08 -0.48 -0.09 0.00 0.51 0.00 0.00 43.02 42.87 1ixx s PHE 64 CO 0.00 -0.01 1.03 -1.58 0.70 0.00 0.00 175.22 175.36 1ixx s TRP 65 N -0.43 3.19 0.37 0.36 0.52 0.36 -0.36 118.94 122.95 1ixx s TRP 65 Ca 0.01 1.62 0.08 0.00 0.02 0.00 0.00 56.10 57.83 1ixx s TRP 65 Cb -0.05 -3.07 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1ixx s TRP 65 CO -0.00 -0.63 0.10 -1.64 0.02 0.00 0.00 176.95 174.80 1ixx s MET 66 N -2.81 2.20 0.00 4.98 -1.94 -0.91 -3.85 119.30 116.97 1ixx s MET 66 Ca 0.61 -1.74 -0.01 0.00 -1.71 0.00 0.00 55.69 52.84 1ixx s MET 66 Cb -0.19 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 1ixx s MET 66 CO 0.23 0.04 1.98 0.41 -0.01 0.00 0.00 175.02 177.67 1ixx n GLY 67 N -1.10 2.35 3.03 -0.03 0.00 0.15 -4.70 105.19 104.90 1ixx n GLY 67 Ca -0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1ixx n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ixx s LEU 68 N 0.00 1.71 0.34 0.99 2.96 -1.26 -4.98 118.68 118.44 1ixx s LEU 68 Ca 0.07 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1ixx s LEU 68 Cb 0.03 -1.18 -0.06 0.00 0.50 0.00 0.00 46.19 45.49 1ixx s LEU 68 CO 0.00 -0.03 0.07 -0.94 -1.32 0.00 0.00 176.35 174.12 1ixx s SER 69 N 1.35 2.44 -1.42 3.68 1.04 -1.26 -1.39 113.70 118.14 1ixx s SER 69 Ca 0.02 -1.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.02 1ixx s SER 69 Cb -0.13 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1ixx s SER 69 CO -0.08 -0.67 0.01 0.59 0.98 0.00 0.00 173.24 174.07 1ixx n ASN 70 N -0.79 0.81 -0.33 7.02 3.02 -0.53 -4.84 115.26 119.63 1ixx n ASN 70 Ca -0.03 -1.18 0.10 0.00 -0.03 0.00 0.00 54.58 53.44 1ixx n ASN 70 Cb 0.66 -1.46 0.31 0.00 -0.61 0.00 0.00 39.78 38.68 1ixx n ASN 70 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ixx h VAL 71 N -1.58 0.85 -0.00 2.41 -1.51 -1.55 -3.16 116.25 111.70 1ixx h VAL 71 Ca -0.61 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1ixx h VAL 71 Cb 1.29 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1ixx h VAL 71 CO 0.65 0.15 -0.42 0.79 -1.23 0.00 0.00 177.57 177.51 1ixx n TRP 72 N -4.62 0.00 -0.25 5.19 8.01 -1.26 -4.67 117.44 119.84 1ixx n TRP 72 Ca 0.19 0.00 0.25 0.00 -1.31 0.00 0.00 57.50 56.63 1ixx n TRP 72 Cb 0.44 0.00 0.60 0.00 -2.01 0.00 0.00 31.31 30.34 1ixx n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1ixx h ASN 73 N 0.32 0.25 -0.64 -0.99 4.21 -1.91 0.19 115.58 117.01 1ixx h ASN 73 Ca 0.00 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1ixx h ASN 73 Cb 0.28 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1ixx h ASN 73 CO 0.00 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.22 1ixx n GLN 74 N -4.43 3.23 -1.67 0.81 0.00 -1.26 -4.97 117.38 109.08 1ixx n GLN 74 Ca 0.21 -2.72 -0.29 0.00 0.00 0.00 0.00 57.00 54.20 1ixx n GLN 74 Cb 0.88 -1.70 0.16 0.00 0.00 0.00 0.00 30.24 29.59 1ixx n GLN 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ixx s ASN 76 N -4.43 6.85 -0.19 0.00 2.47 -1.26 -5.02 114.94 113.35 1ixx s ASN 76 Ca 0.69 -2.74 -0.28 0.00 0.42 0.00 0.00 52.86 50.94 1ixx s ASN 76 Cb -0.09 -2.25 -0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1ixx s ASN 76 CO 0.53 -0.62 0.98 0.26 -3.72 0.00 0.00 177.10 174.53 1ixx s TRP 77 N 0.43 3.40 -0.00 0.43 0.52 -1.26 -5.05 118.94 117.41 1ixx s TRP 77 Ca 0.24 1.44 0.04 0.00 0.02 0.00 0.00 56.10 57.84 1ixx s TRP 77 Cb -0.09 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.03 1ixx s TRP 77 CO -0.09 -0.37 -0.13 -1.14 0.02 0.00 0.00 176.95 175.25 1ixx s GLN 78 N 2.68 1.02 0.13 4.98 0.74 -1.26 -4.85 119.66 123.10 1ixx s GLN 78 Ca 0.43 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 1ixx s GLN 78 Cb -0.16 -0.99 -0.06 0.00 1.10 0.00 0.00 33.01 32.89 1ixx s GLN 78 CO 0.10 0.27 0.96 -1.58 -0.55 0.00 0.00 175.29 174.49 1ixx s TRP 79 N -0.36 3.84 0.64 1.67 0.52 -1.26 -4.91 118.94 119.08 1ixx s TRP 79 Ca 0.05 1.82 0.32 0.00 0.02 0.00 0.00 56.10 58.30 1ixx s TRP 79 Cb -0.05 -3.04 1.77 0.00 -1.15 0.00 0.00 33.47 31.00 1ixx s TRP 79 CO -0.00 0.25 2.04 0.66 0.02 0.00 0.00 176.95 179.91 1ixx h SER 80 N 5.35 0.00 -0.33 2.95 4.64 -2.00 0.15 113.55 124.32 1ixx h SER 80 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1ixx h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ixx h SER 80 CO 0.71 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.21 1ixx n ASN 81 N -3.20 2.22 -1.34 4.97 6.94 -1.26 -4.90 115.26 118.69 1ixx n ASN 81 Ca -0.00 -2.11 -0.18 0.00 -0.02 0.00 0.00 54.58 52.27 1ixx n ASN 81 Cb 0.34 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 1ixx n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ixx n ALA 82 N 0.46 -0.27 -1.80 -2.53 0.00 0.54 -4.96 120.51 111.95 1ixx n ALA 82 Ca 0.12 0.28 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 1ixx n ALA 82 Cb 0.40 -1.85 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 1ixx n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixx s ALA 83 N -2.61 3.39 0.23 0.00 0.00 -1.26 -4.95 121.76 116.56 1ixx s ALA 83 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 1ixx s ALA 83 Cb 0.00 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 1ixx s ALA 83 CO 0.00 -0.09 1.65 -1.64 0.00 0.00 0.00 175.76 175.68 1ixx s MET 84 N -1.24 4.14 -0.71 0.00 -1.94 -1.26 -4.15 119.30 114.14 1ixx s MET 84 Ca 0.44 2.55 -0.27 0.00 -1.71 0.00 0.00 55.69 56.70 1ixx s MET 84 Cb -0.30 -3.07 0.03 0.00 2.01 0.00 0.00 34.83 33.49 1ixx s MET 84 CO 0.38 -0.68 1.25 -1.17 -0.01 0.00 0.00 175.02 174.80 1ixx s LEU 85 N 0.62 3.26 0.01 -0.03 2.96 -1.26 -4.70 118.68 119.53 1ixx s LEU 85 Ca 0.70 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1ixx s LEU 85 Cb -0.48 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 1ixx s LEU 85 CO 0.37 -1.77 -0.04 0.54 -1.32 0.00 0.00 176.35 174.14 1ixx n ARG 86 N 9.16 0.06 -2.00 1.98 1.74 -1.26 -4.99 116.66 121.34 1ixx n ARG 86 Ca 0.04 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1ixx n ARG 86 Cb 0.49 -0.37 -0.03 0.00 -1.02 0.00 0.00 32.46 31.53 1ixx n ARG 86 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ixx s TYR 87 N -1.47 3.10 0.12 -1.55 5.04 -1.26 -5.01 117.35 116.32 1ixx s TYR 87 Ca -0.03 0.77 0.09 0.00 -2.44 0.00 0.00 57.07 55.47 1ixx s TYR 87 Cb 0.00 -3.85 -0.04 0.00 0.35 0.00 0.00 41.96 38.42 1ixx s TYR 87 CO 0.05 -3.05 -0.23 0.15 -1.34 0.00 0.00 175.55 171.13 1ixx s LYS 88 N 0.86 1.25 -0.38 4.97 -0.14 -1.26 -5.06 119.74 119.97 1ixx s LYS 88 Ca 0.67 -1.27 0.11 0.00 -1.36 0.00 0.00 55.97 54.12 1ixx s LYS 88 Cb -0.42 -1.59 0.40 0.00 -1.68 0.00 0.00 37.83 34.54 1ixx s LYS 88 CO 0.33 0.37 1.22 0.00 -0.76 0.00 0.00 175.35 176.51 1ixx n ALA 89 N 0.91 1.61 -2.25 5.17 0.00 -1.26 -5.12 120.51 119.57 1ixx n ALA 89 Ca -0.18 -1.81 -0.42 0.00 0.00 0.00 0.00 53.44 51.03 1ixx n ALA 89 Cb 0.54 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1ixx n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ixx s TRP 90 N -0.67 3.20 0.09 0.00 0.52 -1.26 -4.93 118.94 115.89 1ixx s TRP 90 Ca 0.24 1.01 -0.14 0.00 0.02 0.00 0.00 56.10 57.23 1ixx s TRP 90 Cb 0.40 -3.61 -0.13 0.00 -1.15 0.00 0.00 33.47 28.98 1ixx s TRP 90 CO -0.06 -2.11 1.33 0.00 0.02 0.00 0.00 176.95 176.14 1ixx h ALA 91 N 7.04 0.34 -3.60 0.98 0.00 -2.06 -3.43 119.26 118.53 1ixx h ALA 91 Ca -0.41 -0.52 -0.68 0.00 0.00 0.00 0.00 54.91 53.30 1ixx h ALA 91 Cb 1.20 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.63 1ixx h ALA 91 CO 0.86 0.56 -0.88 -1.21 0.00 0.00 0.00 179.25 178.57 1ixx s GLU 92 N -3.95 2.85 0.10 0.00 0.41 -1.26 -5.06 118.70 111.79 1ixx s GLU 92 Ca -0.11 -0.89 -0.30 0.00 -0.41 0.00 0.00 54.97 53.26 1ixx s GLU 92 Cb 0.08 -2.25 -0.13 0.00 -1.78 0.00 0.00 34.13 30.06 1ixx s GLU 92 CO 0.87 0.26 1.63 1.49 -0.49 0.00 0.00 175.26 179.02 1ixx h GLU 93 N 6.46 -0.61 -2.19 1.61 4.81 -2.02 -3.46 114.58 119.17 1ixx h GLU 93 Ca -0.24 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1ixx h GLU 93 Cb 1.22 0.14 -0.19 0.00 0.63 0.00 0.00 28.75 30.55 1ixx h GLU 93 CO 0.47 -0.41 0.14 -1.54 -0.73 0.00 0.00 179.01 176.94 1ixx s SER 94 N -4.67 -0.60 0.09 1.04 1.04 -1.26 -4.93 113.70 104.41 1ixx s SER 94 Ca -0.16 0.59 0.04 0.00 0.48 0.00 0.00 55.95 56.90 1ixx s SER 94 Cb 0.06 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1ixx s SER 94 CO 0.64 -0.62 0.05 -0.31 0.98 0.00 0.00 173.24 173.98 1ixx s TYR 95 N -1.41 3.11 0.22 5.02 1.51 -1.26 -1.62 117.35 122.92 1ixx s TYR 95 Ca -0.10 0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1ixx s TYR 95 Cb -0.01 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1ixx s TYR 95 CO 0.08 0.51 -0.12 0.00 -1.11 0.00 0.00 175.55 174.90 1ixx s VAL 97 N -3.02 5.44 0.15 0.00 1.01 -0.49 -0.77 120.40 122.72 1ixx s VAL 97 Ca 0.24 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 1ixx s VAL 97 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1ixx s VAL 97 CO 0.07 0.58 0.16 -0.72 0.00 0.00 0.00 175.10 175.19 1ixx s TYR 98 N -1.07 0.72 0.14 5.22 1.13 0.73 -2.13 117.35 122.08 1ixx s TYR 98 Ca 0.18 -1.07 0.08 0.00 -1.41 0.00 0.00 57.07 54.84 1ixx s TYR 98 Cb -0.13 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.38 1ixx s TYR 98 CO 0.07 -0.62 -0.17 -0.59 -2.51 0.00 0.00 175.55 171.72 1ixx s PHE 99 N -4.03 1.69 -0.14 -3.49 -0.12 0.51 -1.10 117.98 111.30 1ixx s PHE 99 Ca 0.23 -0.48 -0.05 0.00 -0.05 0.00 0.00 56.93 56.58 1ixx s PHE 99 Cb 0.06 -0.87 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 1ixx s PHE 99 CO 0.03 0.25 0.04 0.21 -0.05 0.00 0.00 175.22 175.70 1ixx s LYS 100 N -2.59 3.57 0.00 1.99 2.20 -1.26 -0.50 119.74 123.15 1ixx s LYS 100 Ca 0.12 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1ixx s LYS 100 Cb -0.06 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1ixx s LYS 100 CO 0.05 0.47 0.17 -1.13 -0.36 0.00 0.00 175.35 174.55 1ixx n SER 101 N 2.90 0.00 0.08 1.43 3.41 -0.90 -2.25 113.62 118.28 1ixx n SER 101 Ca -0.18 -0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 1ixx n SER 101 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1ixx n SER 101 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ixx h THR 102 N 0.00 0.31 -2.80 6.66 1.35 -1.90 -3.43 112.91 113.11 1ixx h THR 102 Ca 0.00 -1.59 0.08 0.00 -0.55 0.00 0.00 66.41 64.36 1ixx h THR 102 Cb 0.00 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.23 1ixx h THR 102 CO 0.00 0.18 0.34 0.54 -0.25 0.00 0.00 175.52 176.33 1ixx s ASN 103 N -5.69 -0.15 -0.07 5.36 2.20 -0.96 -5.04 114.94 110.59 1ixx s ASN 103 Ca -0.01 -0.70 0.09 0.00 -0.94 0.00 0.00 52.86 51.29 1ixx s ASN 103 Cb 0.09 0.68 0.38 0.00 -2.00 0.00 0.00 41.25 40.40 1ixx s ASN 103 CO 0.79 -1.29 1.19 -0.46 -2.94 0.00 0.00 177.10 174.39 1ixx n ASN 104 N -0.78 2.80 -4.77 3.54 6.94 -1.26 -4.29 115.26 117.44 1ixx n ASN 104 Ca -0.05 -2.27 -0.40 0.00 -0.02 0.00 0.00 54.58 51.84 1ixx n ASN 104 Cb 0.60 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.54 1ixx n ASN 104 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ixx s LYS 105 N -1.73 4.31 -0.01 -3.83 -0.14 -1.26 -5.01 119.74 112.08 1ixx s LYS 105 Ca 0.26 2.03 -0.19 0.00 -1.36 0.00 0.00 55.97 56.71 1ixx s LYS 105 Cb 0.18 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 1ixx s LYS 105 CO 0.12 -0.16 0.55 -1.58 -0.76 0.00 0.00 175.35 173.52 1ixx s TRP 106 N -1.22 3.68 0.07 3.18 0.52 -1.26 -4.43 118.94 119.48 1ixx s TRP 106 Ca 0.51 1.14 0.03 0.00 0.02 0.00 0.00 56.10 57.80 1ixx s TRP 106 Cb -0.36 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1ixx s TRP 106 CO 0.46 0.39 -0.10 1.03 0.02 0.00 0.00 176.95 178.76 1ixx s ARG 107 N -0.30 0.73 0.04 4.98 0.52 -0.26 -4.99 118.95 119.67 1ixx s ARG 107 Ca 0.29 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1ixx s ARG 107 Cb -0.18 -0.48 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1ixx s ARG 107 CO 0.16 0.08 0.09 -1.54 0.02 0.00 0.00 175.30 174.12 1ixx s SER 108 N -2.06 5.67 -0.11 0.23 1.04 -1.26 -0.19 113.70 117.02 1ixx s SER 108 Ca -0.01 0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.34 1ixx s SER 108 Cb -0.06 -1.59 0.04 0.00 0.10 0.00 0.00 66.02 64.51 1ixx s SER 108 CO 0.00 0.21 0.43 -0.60 0.98 0.00 0.00 173.24 174.26 1ixx s ARG 109 N -2.14 0.61 0.13 4.02 3.52 0.05 -4.93 118.95 120.21 1ixx s ARG 109 Ca 0.27 0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 55.92 1ixx s ARG 109 Cb -0.12 0.29 -0.11 0.00 -1.56 0.00 0.00 34.95 33.45 1ixx s ARG 109 CO 0.19 -0.12 1.82 0.00 -0.81 0.00 0.00 175.30 176.38 1ixx s ALA 110 N -0.35 3.78 0.63 6.12 0.00 -1.26 -0.30 121.76 130.38 1ixx s ALA 110 Ca -0.05 1.47 0.27 0.00 0.00 0.00 0.00 51.96 53.65 1ixx s ALA 110 Cb -0.03 -3.76 1.43 0.00 0.00 0.00 0.00 23.12 20.76 1ixx s ALA 110 CO 0.03 -1.19 1.83 0.00 0.00 0.00 0.00 175.76 176.42 1ixx n ARG 112 N -3.28 0.21 -1.96 0.00 1.85 -1.26 -2.09 116.66 110.14 1ixx n ARG 112 Ca 0.04 0.21 -0.29 0.00 -1.00 0.00 0.00 57.85 56.80 1ixx n ARG 112 Cb 0.60 -1.76 0.05 0.00 -1.05 0.00 0.00 32.46 30.31 1ixx n ARG 112 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1ixx s MET 113 N -3.11 2.68 0.38 2.89 -1.94 -0.01 -4.74 119.30 115.45 1ixx s MET 113 Ca 0.10 0.32 -0.13 0.00 -1.71 0.00 0.00 55.69 54.27 1ixx s MET 113 Cb 0.13 -2.04 -0.08 0.00 2.01 0.00 0.00 34.83 34.85 1ixx s MET 113 CO 0.55 -1.11 0.77 -1.64 -0.01 0.00 0.00 175.02 173.59 1ixx s MET 114 N -5.35 3.89 -0.15 2.03 -1.94 -1.26 -3.90 119.30 112.61 1ixx s MET 114 Ca 0.58 0.59 -0.33 0.00 -1.71 0.00 0.00 55.69 54.82 1ixx s MET 114 Cb -0.11 -2.39 0.13 0.00 2.01 0.00 0.00 34.83 34.47 1ixx s MET 114 CO 0.50 0.03 1.14 0.00 -0.01 0.00 0.00 175.02 176.68 1ixx s ALA 115 N -2.22 -2.01 0.77 3.03 0.00 -1.01 -4.93 121.76 115.39 1ixx s ALA 115 Ca 0.53 1.48 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 1ixx s ALA 115 Cb -0.10 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.07 1ixx s ALA 115 CO 0.25 -0.60 0.64 1.04 0.00 0.00 0.00 175.76 177.10 1ixx n GLN 116 N -0.09 -0.21 -3.86 0.00 6.02 -0.27 -1.35 117.38 117.62 1ixx n GLN 116 Ca -0.02 -1.36 -0.07 0.00 -0.01 0.00 0.00 57.00 55.54 1ixx n GLN 116 Cb 0.59 -0.55 -0.02 0.00 1.02 0.00 0.00 30.24 31.28 1ixx n GLN 116 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1ixx s PHE 117 N -2.08 -0.15 -0.05 1.08 -0.71 -1.23 -0.49 117.98 114.36 1ixx s PHE 117 Ca 0.39 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 56.02 1ixx s PHE 117 Cb -0.02 0.66 0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1ixx s PHE 117 CO 0.27 -1.21 -0.11 0.08 -1.34 0.00 0.00 175.22 172.91 1ixx s VAL 118 N -3.92 1.03 0.30 -2.49 1.01 -1.25 -0.47 120.40 114.60 1ixx s VAL 118 Ca 0.12 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ixx s VAL 118 Cb -0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1ixx s VAL 118 CO 0.07 0.32 0.14 0.00 0.00 0.00 0.00 175.10 175.62 1ixx s GLU 120 N -3.82 1.13 0.24 0.00 -1.05 0.38 -1.04 118.70 114.53 1ixx s GLU 120 Ca 0.35 -0.59 -0.16 0.00 -0.15 0.00 0.00 54.97 54.42 1ixx s GLU 120 Cb -0.05 0.51 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1ixx s GLU 120 CO 0.23 -0.46 0.54 -0.59 0.95 0.00 0.00 175.26 175.94 1ixx s PHE 121 N -3.66 0.09 -0.20 4.83 -0.12 -0.45 -1.60 117.98 116.87 1ixx s PHE 121 Ca 0.02 -0.47 -0.08 0.00 -0.05 0.00 0.00 56.93 56.35 1ixx s PHE 121 Cb 0.01 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1ixx s PHE 121 CO -0.11 -1.02 0.07 -1.14 -0.05 0.00 0.00 175.22 172.97 1ixx s GLN 122 N -3.95 3.94 0.00 1.99 0.74 -1.26 -1.08 119.66 120.04 1ixx s GLN 122 Ca 0.16 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1ixx s GLN 122 Cb -0.02 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1ixx s GLN 122 CO 0.05 0.18 0.00 0.00 -0.55 0.00 0.00 175.29 174.97