#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 -2.04 -1.56 -0.57 0.00 0.02 -1.26 -4.79 135.00 124.80 1ixx s PRO 3 Ca 0.57 0.57 -0.28 0.00 0.02 0.00 0.00 61.00 61.87 1ixx s PRO 3 Cb -0.53 -1.50 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 1ixx s PRO 3 CO 0.61 -4.08 2.45 0.43 -0.33 0.00 0.00 177.00 176.08 1ixx n SER 4 N -5.13 1.91 0.00 2.53 7.64 -1.26 -1.73 113.62 117.58 1ixx n SER 4 Ca 0.06 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ixx n SER 4 Cb 0.56 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1ixx n SER 4 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ixx n ASP 5 N 13.87 -0.17 -4.86 6.43 5.75 -1.26 -5.10 116.55 131.21 1ixx n ASP 5 Ca 0.43 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.84 1ixx n ASP 5 Cb 0.40 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 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 -2.04 3.66 0.33 2.11 0.52 -0.71 -4.93 118.94 117.89 1ixx s TRP 6 Ca 0.00 0.77 -0.07 0.00 0.02 0.00 0.00 56.10 56.82 1ixx s TRP 6 Cb 0.00 -2.12 -0.06 0.00 -1.15 0.00 0.00 33.47 30.14 1ixx s TRP 6 CO 0.00 0.68 0.64 -1.12 0.02 0.00 0.00 176.95 177.16 1ixx s SER 7 N -1.14 6.48 -0.07 2.95 0.01 0.36 -4.72 113.70 117.57 1ixx s SER 7 Ca 0.21 0.88 0.05 0.00 1.31 0.00 0.00 55.95 58.40 1ixx s SER 7 Cb -0.14 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1ixx s SER 7 CO 0.10 -0.27 -0.24 -0.55 0.41 0.00 0.00 173.24 172.69 1ixx s SER 8 N -3.14 3.17 -0.13 2.44 0.15 -1.26 0.29 113.70 115.24 1ixx s SER 8 Ca 0.47 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 1ixx s SER 8 Cb -0.11 -0.95 0.06 0.00 -1.71 0.00 0.00 66.02 63.31 1ixx s SER 8 CO 0.30 0.24 0.28 -0.47 1.20 0.00 0.00 173.24 174.79 1ixx s TYR 9 N -0.11 -0.43 -1.24 3.44 5.04 -0.50 -4.95 117.35 118.61 1ixx s TYR 9 Ca -0.05 0.96 -0.26 0.00 -2.44 0.00 0.00 57.07 55.28 1ixx s TYR 9 Cb -0.14 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.26 1ixx s TYR 9 CO 0.04 -0.31 0.50 0.39 -1.34 0.00 0.00 175.55 174.83 1ixx n GLU 10 N 4.72 -0.39 -1.30 4.97 -0.58 -1.26 -0.46 120.64 126.34 1ixx n GLU 10 Ca -0.17 0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.50 1ixx n GLU 10 Cb 0.52 -2.54 -0.04 0.00 -0.57 0.00 0.00 31.44 28.80 1ixx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ixx n GLY 11 N -2.17 1.14 3.32 0.62 0.00 -1.26 -5.00 105.19 101.84 1ixx n GLY 11 Ca -0.15 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.28 1.83 -0.10 1.61 3.76 0.39 -1.35 115.29 119.15 1ixx s HIS 12 Ca 0.00 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1ixx s HIS 12 Cb 0.00 -0.94 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 1ixx s HIS 12 CO 0.00 0.29 -0.08 0.00 -0.85 0.00 0.00 174.74 174.10 1ixx s TYR 14 N -0.29 1.25 -0.29 0.00 1.51 0.15 -1.44 117.35 118.23 1ixx s TYR 14 Ca 0.04 -0.51 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 1ixx s TYR 14 Cb -0.13 -0.69 0.11 0.00 -0.11 0.00 0.00 41.96 41.15 1ixx s TYR 14 CO 0.02 0.08 0.70 0.21 -1.11 0.00 0.00 175.55 175.45 1ixx s LYS 15 N -2.15 0.60 0.27 -0.62 2.20 -0.75 -0.49 119.74 118.80 1ixx s LYS 15 Ca 0.02 1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 56.73 1ixx s LYS 15 Cb -0.08 0.55 -0.09 0.00 -1.51 0.00 0.00 37.83 36.71 1ixx s LYS 15 CO 0.02 -0.17 0.78 -2.14 -0.36 0.00 0.00 175.35 173.48 1ixx s PRO 16 N 2.35 4.28 0.09 4.03 0.02 -1.26 -0.50 135.00 144.01 1ixx s PRO 16 Ca -0.07 0.94 0.09 0.00 0.02 0.00 0.00 61.00 61.98 1ixx s PRO 16 Cb -0.09 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 1ixx s PRO 16 CO -0.19 0.31 -0.23 -0.06 -0.33 0.00 0.00 177.00 176.51 1ixx s PHE 17 N -1.65 1.95 -0.10 6.54 0.40 0.12 -4.96 117.98 120.28 1ixx s PHE 17 Ca 0.47 -0.40 0.15 0.00 -0.60 0.00 0.00 56.93 56.55 1ixx s PHE 17 Cb -0.16 -1.09 -0.17 0.00 0.51 0.00 0.00 43.02 42.11 1ixx s PHE 17 CO 0.21 0.21 0.75 -1.13 0.70 0.00 0.00 175.22 175.96 1ixx n SER 18 N 1.24 0.85 -4.63 1.36 3.41 -1.26 -3.31 113.62 111.26 1ixx n SER 18 Ca -0.19 0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 1ixx n SER 18 Cb 0.53 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1ixx n SER 18 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ixx s GLU 19 N -2.81 3.91 0.17 4.33 2.12 -1.26 -4.89 118.70 120.27 1ixx s GLU 19 Ca -0.04 1.45 -0.31 0.00 0.36 0.00 0.00 54.97 56.44 1ixx s GLU 19 Cb 0.08 -3.92 -0.09 0.00 0.26 0.00 0.00 34.13 30.46 1ixx s GLU 19 CO 0.82 -1.13 1.45 -2.14 -0.54 0.00 0.00 175.26 173.72 1ixx s PRO 20 N 4.26 4.28 0.08 4.30 0.02 -1.26 -4.79 135.00 141.89 1ixx s PRO 20 Ca 0.62 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.84 1ixx s PRO 20 Cb -0.20 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1ixx s PRO 20 CO 0.24 -0.47 0.00 0.15 -0.33 0.00 0.00 177.00 176.59 1ixx s LYS 21 N 0.72 0.72 0.95 5.54 1.02 -0.85 -4.83 119.74 123.01 1ixx s LYS 21 Ca 0.65 -1.29 -0.15 0.00 0.02 0.00 0.00 55.97 55.20 1ixx s LYS 21 Cb -0.40 0.22 0.17 0.00 -0.52 0.00 0.00 37.83 37.30 1ixx s LYS 21 CO 0.34 -0.16 1.21 0.54 -0.92 0.00 0.00 175.35 176.36 1ixx s ASN 22 N -2.96 3.17 0.11 2.83 2.20 -1.25 -2.19 114.94 116.84 1ixx s ASN 22 Ca 0.13 0.61 -0.30 0.00 -0.94 0.00 0.00 52.86 52.36 1ixx s ASN 22 Cb 0.08 -0.91 -0.09 0.00 -2.00 0.00 0.00 41.25 38.32 1ixx s ASN 22 CO -0.06 -2.73 1.60 -0.25 -2.94 0.00 0.00 177.10 172.73 1ixx h TRP 23 N -1.63 -1.03 -0.51 1.54 7.01 -1.59 -1.66 115.95 118.09 1ixx h TRP 23 Ca -0.46 0.02 0.09 0.00 2.11 0.00 0.00 58.89 60.65 1ixx h TRP 23 Cb 1.29 0.43 -0.07 0.00 -2.10 0.00 0.00 29.16 28.71 1ixx h TRP 23 CO -0.62 -0.48 0.08 0.00 -2.79 0.00 0.00 178.44 174.62 1ixx h ALA 24 N -0.06 0.55 -0.24 2.65 0.00 -1.94 -0.33 119.26 119.89 1ixx h ALA 24 Ca 0.02 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1ixx h ALA 24 Cb 0.64 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ixx h ALA 24 CO -0.21 -0.33 -0.26 -0.44 0.00 0.00 0.00 179.25 178.02 1ixx h ASP 25 N 0.21 0.47 -0.13 0.00 3.32 -1.91 -0.33 116.42 118.05 1ixx h ASP 25 Ca 0.26 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1ixx h ASP 25 Cb 0.36 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ixx h ASP 25 CO -0.36 0.72 -0.43 0.00 -1.72 0.00 0.00 179.24 177.46 1ixx h ALA 26 N 1.32 0.74 -0.15 3.45 0.00 -0.60 -0.65 119.26 123.37 1ixx h ALA 26 Ca 0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1ixx h ALA 26 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ixx h ALA 26 CO 0.05 0.66 -0.06 1.49 0.00 0.00 0.00 179.25 181.39 1ixx h GLU 27 N 0.55 0.30 -0.48 0.00 4.57 -0.65 -1.68 114.58 117.19 1ixx h GLU 27 Ca 0.04 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1ixx h GLU 27 Cb 0.96 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1ixx h GLU 27 CO 0.09 0.61 0.30 -0.97 -1.18 0.00 0.00 179.01 177.86 1ixx h ASN 28 N -0.02 0.56 -0.59 1.04 -1.24 -1.02 -2.05 115.58 112.26 1ixx h ASN 28 Ca 0.03 -0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.10 1ixx h ASN 28 Cb 0.51 -0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.35 1ixx h ASN 28 CO 0.02 0.44 0.19 0.15 -1.29 0.00 0.00 177.43 176.93 1ixx h PHE 29 N 0.64 0.32 -0.18 0.67 3.04 -1.02 -0.28 116.94 120.12 1ixx h PHE 29 Ca 0.17 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 1ixx h PHE 29 Cb -0.03 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 1ixx h PHE 29 CO -0.03 0.05 0.06 0.00 -2.02 0.00 0.00 178.31 176.37 1ixx h THR 31 N 0.25 1.31 0.00 0.00 1.35 -0.49 -3.03 112.91 112.30 1ixx h THR 31 Ca 0.06 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1ixx h THR 31 Cb 0.07 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1ixx h THR 31 CO -0.01 0.55 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 1ixx n GLN 32 N -4.13 0.12 0.10 4.72 6.02 -0.67 -3.12 117.38 120.42 1ixx n GLN 32 Ca -0.06 0.20 -0.18 0.00 -0.01 0.00 0.00 57.00 56.94 1ixx n GLN 32 Cb 0.61 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.23 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 0.32 -1.88 -1.09 5.75 -1.34 -3.49 115.11 113.38 1ixx h GLN 33 Ca 0.00 -0.54 0.24 0.00 -0.15 0.00 0.00 58.65 58.19 1ixx h GLN 33 Cb 0.18 0.20 -0.12 0.00 1.07 0.00 0.00 27.48 28.81 1ixx h GLN 33 CO 0.00 1.23 0.66 -1.58 -2.65 0.00 0.00 178.83 176.49 1ixx s HIS 34 N -2.63 -0.13 0.24 3.99 5.04 -1.18 -5.08 115.29 115.54 1ixx s HIS 34 Ca -0.07 -0.05 -0.30 0.00 -1.54 0.00 0.00 55.06 53.10 1ixx s HIS 34 Cb 0.06 0.57 -0.09 0.00 0.04 0.00 0.00 32.58 33.17 1ixx s HIS 34 CO 0.88 -0.50 1.27 0.00 -2.34 0.00 0.00 174.74 174.06 1ixx s ALA 35 N -2.82 3.50 -0.61 1.58 0.00 -1.26 -2.55 121.76 119.60 1ixx s ALA 35 Ca 0.12 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1ixx s ALA 35 Cb 0.01 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1ixx s ALA 35 CO -0.02 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1ixx n GLY 36 N 1.86 0.80 3.72 0.00 0.00 -1.26 -4.70 105.19 105.61 1ixx n GLY 36 Ca 0.04 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.65 2.68 0.29 -0.02 0.00 -1.06 -4.40 107.32 102.17 1ixx s GLY 37 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.84 1ixx s GLY 37 CO 0.00 1.23 0.48 0.30 0.00 0.00 0.00 173.10 175.11 1ixx s HIS 38 N 0.71 0.66 0.49 1.90 3.76 -0.38 -3.11 115.29 119.32 1ixx s HIS 38 Ca 0.40 -0.99 -0.22 0.00 -0.15 0.00 0.00 55.06 54.10 1ixx s HIS 38 Cb -0.19 0.08 -0.06 0.00 1.11 0.00 0.00 32.58 33.52 1ixx s HIS 38 CO 0.20 -1.07 1.20 -1.17 -0.85 0.00 0.00 174.74 173.06 1ixx s LEU 39 N -3.11 3.93 0.61 0.89 2.96 -1.26 -0.08 118.68 122.61 1ixx s LEU 39 Ca 0.26 2.38 -0.18 0.00 -0.22 0.00 0.00 54.13 56.38 1ixx s LEU 39 Cb -0.00 -4.31 -0.06 0.00 0.50 0.00 0.00 46.19 42.31 1ixx s LEU 39 CO 0.14 -1.12 0.71 0.55 -1.32 0.00 0.00 176.35 175.31 1ixx n VAL 40 N -0.75 2.85 -4.21 1.68 3.14 0.05 -4.18 118.33 116.90 1ixx n VAL 40 Ca 0.09 -0.49 -0.19 0.00 -2.96 0.00 0.00 64.34 60.79 1ixx n VAL 40 Cb 0.48 -0.88 -0.16 0.00 -1.06 0.00 0.00 33.84 32.22 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 -1.26 0.88 -0.17 6.55 1.04 -1.26 -0.17 113.70 119.31 1ixx s SER 41 Ca 0.72 -0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 1ixx s SER 41 Cb -0.42 -0.31 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 1ixx s SER 41 CO 0.51 0.00 0.20 -0.36 0.98 0.00 0.00 173.24 174.58 1ixx s PHE 42 N 0.47 3.46 -0.03 5.02 0.08 -1.26 -4.94 117.98 120.79 1ixx s PHE 42 Ca -0.06 0.48 0.01 0.00 0.12 0.00 0.00 56.93 57.48 1ixx s PHE 42 Cb -0.10 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1ixx s PHE 42 CO 0.00 0.33 0.03 1.04 -0.10 0.00 0.00 175.22 176.53 1ixx n GLN 43 N 3.30 4.25 -3.82 0.44 3.00 -1.26 -5.07 117.38 118.23 1ixx n GLN 43 Ca -0.15 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.76 1ixx n GLN 43 Cb 0.52 -0.72 -0.03 0.00 0.00 0.00 0.00 30.24 30.02 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 -1.47 -0.27 0.31 1.08 1.04 -1.26 -5.04 113.70 108.09 1ixx s SER 44 Ca 0.00 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 55.93 1ixx s SER 44 Cb 0.01 0.68 0.51 0.00 0.10 0.00 0.00 66.02 67.32 1ixx s SER 44 CO 0.04 -1.25 1.73 0.28 0.98 0.00 0.00 173.24 175.02 1ixx h SER 45 N 2.05 0.23 0.19 7.02 0.02 -1.98 -2.46 113.55 118.61 1ixx h SER 45 Ca -0.22 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1ixx h SER 45 Cb 1.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ixx h SER 45 CO 0.28 0.59 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.14 1ixx h GLU 46 N 0.19 -0.24 -0.88 3.45 3.07 -1.99 0.12 114.58 118.30 1ixx h GLU 46 Ca 0.02 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1ixx h GLU 46 Cb 0.76 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.68 1ixx h GLU 46 CO 0.06 -0.05 0.58 1.49 -1.40 0.00 0.00 179.01 179.69 1ixx h GLU 47 N -0.39 1.14 -0.34 2.33 4.81 -1.96 0.21 114.58 120.37 1ixx h GLU 47 Ca -0.03 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1ixx h GLU 47 Cb 0.30 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ixx h GLU 47 CO 0.04 0.75 0.11 0.00 -0.73 0.00 0.00 179.01 179.19 1ixx h ALA 48 N 1.46 0.45 -0.57 2.92 0.00 -1.05 -1.21 119.26 121.27 1ixx h ALA 48 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ixx h ALA 48 Cb -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1ixx h ALA 48 CO -0.08 0.09 0.15 -0.44 0.00 0.00 0.00 179.25 178.97 1ixx h ASP 49 N 0.41 0.81 0.44 0.00 3.32 -0.12 -0.76 116.42 120.51 1ixx h ASP 49 Ca 0.11 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1ixx h ASP 49 Cb 0.24 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ixx h ASP 49 CO -0.00 0.78 -0.25 0.15 -1.72 0.00 0.00 179.24 178.20 1ixx h PHE 50 N 0.83 -0.66 -0.67 4.55 3.57 -0.52 -0.99 116.94 123.05 1ixx h PHE 50 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1ixx h PHE 50 Cb 0.29 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1ixx h PHE 50 CO 0.02 -0.39 0.25 0.28 -2.23 0.00 0.00 178.31 176.23 1ixx h VAL 51 N -0.65 1.25 -0.64 1.41 2.07 -1.03 -0.22 116.25 118.43 1ixx h VAL 51 Ca -0.05 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ixx h VAL 51 Cb 0.52 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1ixx h VAL 51 CO 0.06 0.31 0.36 0.58 0.02 0.00 0.00 177.57 178.91 1ixx h VAL 52 N 0.96 1.20 -0.36 2.57 2.07 -1.05 0.11 116.25 121.74 1ixx h VAL 52 Ca 0.22 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1ixx h VAL 52 Cb 0.24 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ixx h VAL 52 CO -0.01 0.21 0.12 0.50 0.02 0.00 0.00 177.57 178.41 1ixx h LYS 53 N 0.87 0.56 -0.24 1.57 3.64 -0.81 -0.22 116.57 121.94 1ixx h LYS 53 Ca 0.23 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ixx h LYS 53 Cb 0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1ixx h LYS 53 CO -0.04 0.57 0.14 1.25 -2.27 0.00 0.00 179.45 179.10 1ixx h LEU 54 N 0.43 0.30 -0.52 5.20 6.46 -0.67 0.83 115.31 127.34 1ixx h LEU 54 Ca 0.12 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1ixx h LEU 54 Cb 0.24 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1ixx h LEU 54 CO -0.00 0.28 0.29 0.00 -0.62 0.00 0.00 178.44 178.38 1ixx h ALA 55 N 1.02 0.67 -0.00 1.25 0.00 -0.60 -0.68 119.26 120.92 1ixx h ALA 55 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ixx h ALA 55 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ixx h ALA 55 CO -0.01 -0.04 -0.00 0.35 0.00 0.00 0.00 179.25 179.55 1ixx h PHE 56 N 0.56 0.01 -0.12 0.00 3.57 -0.68 0.22 116.94 120.49 1ixx h PHE 56 Ca 0.22 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1ixx h PHE 56 Cb 0.09 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1ixx h PHE 56 CO -0.09 0.32 0.10 1.96 -2.23 0.00 0.00 178.31 178.38 1ixx h GLN 57 N -0.31 0.00 0.06 1.11 4.20 -0.65 0.20 115.11 119.73 1ixx h GLN 57 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1ixx h GLN 57 Cb 0.32 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1ixx h GLN 57 CO 0.00 0.00 -2.00 2.41 -0.67 0.00 0.00 178.83 178.57 1ixx n THR 58 N -4.26 1.65 -0.27 -0.54 -1.04 -0.28 -4.72 114.28 104.83 1ixx n THR 58 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1ixx n THR 58 Cb 0.22 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 1ixx n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ixx n PHE 59 N -3.72 0.00 -4.39 -1.42 3.72 0.05 -5.09 117.46 106.61 1ixx n PHE 59 Ca -0.37 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 1ixx n PHE 59 Cb 0.94 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 -0.35 1.03 3.54 1.37 0.00 0.71 -4.64 105.19 106.85 1ixx n GLY 60 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 2.46 0.28 1.61 5.65 -1.26 -4.30 115.29 119.73 1ixx s HIS 61 Ca 0.00 -0.03 -0.08 0.00 0.25 0.00 0.00 55.06 55.19 1ixx s HIS 61 Cb 0.00 -4.50 0.03 0.00 -1.18 0.00 0.00 32.58 26.93 1ixx s HIS 61 CO 0.00 -1.84 0.52 0.45 -0.65 0.00 0.00 174.74 173.22 1ixx n SER 62 N 8.74 -1.49 -4.42 9.88 2.88 -1.26 -5.01 113.62 122.94 1ixx n SER 62 Ca 0.03 -2.22 -0.33 0.00 -1.33 0.00 0.00 58.87 55.02 1ixx n SER 62 Cb 0.48 2.54 -0.14 0.00 -0.75 0.00 0.00 64.21 66.34 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 -2.45 3.16 0.01 2.46 -4.36 -1.26 -0.67 121.20 118.08 1ixx s ILE 63 Ca 0.14 -0.64 0.06 0.00 -0.26 0.00 0.00 60.65 59.95 1ixx s ILE 63 Cb -0.03 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 1ixx s ILE 63 CO 0.10 0.54 -0.19 -0.36 0.24 0.00 0.00 174.94 175.28 1ixx s PHE 64 N 0.02 1.65 0.35 1.37 0.40 0.30 -1.69 117.98 120.39 1ixx s PHE 64 Ca -0.04 -0.33 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 1ixx s PHE 64 Cb -0.14 -1.03 -0.09 0.00 0.51 0.00 0.00 43.02 42.27 1ixx s PHE 64 CO 0.04 0.01 1.12 -1.58 0.70 0.00 0.00 175.22 175.51 1ixx s TRP 65 N -0.58 3.30 0.23 0.36 0.23 -0.22 -0.47 118.94 121.80 1ixx s TRP 65 Ca 0.07 1.62 0.09 0.00 -2.03 0.00 0.00 56.10 55.85 1ixx s TRP 65 Cb -0.08 -3.30 -0.04 0.00 0.03 0.00 0.00 33.47 30.09 1ixx s TRP 65 CO 0.00 -0.89 0.01 -1.64 0.96 0.00 0.00 176.95 175.39 1ixx s MET 66 N -2.03 2.37 0.00 4.98 -1.94 -0.64 -4.03 119.30 118.01 1ixx s MET 66 Ca 0.52 -1.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1ixx s MET 66 Cb -0.29 -2.25 -0.13 0.00 2.01 0.00 0.00 34.83 34.16 1ixx s MET 66 CO 0.37 0.40 2.79 0.41 -0.01 0.00 0.00 175.02 178.98 1ixx n GLY 67 N -0.65 2.73 2.94 -0.03 0.00 0.76 -4.65 105.19 106.29 1ixx n GLY 67 Ca -0.08 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 1.34 0.33 0.99 2.96 -1.26 -4.98 118.68 118.06 1ixx s LEU 68 Ca 0.33 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1ixx s LEU 68 Cb 0.16 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 1ixx s LEU 68 CO 0.00 -0.08 0.11 -0.94 -1.32 0.00 0.00 176.35 174.12 1ixx s SER 69 N 1.46 2.10 -1.67 3.68 1.04 -1.26 -1.88 113.70 117.16 1ixx s SER 69 Ca 0.01 -1.51 -0.11 0.00 0.48 0.00 0.00 55.95 54.82 1ixx s SER 69 Cb -0.13 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.34 1ixx s SER 69 CO -0.06 -0.79 0.36 0.59 0.98 0.00 0.00 173.24 174.31 1ixx n ASN 70 N -0.89 -0.70 -0.26 7.02 3.02 -0.77 -4.82 115.26 117.86 1ixx n ASN 70 Ca -0.02 -1.21 0.25 0.00 -0.03 0.00 0.00 54.58 53.57 1ixx n ASN 70 Cb 0.66 -1.90 0.59 0.00 -0.61 0.00 0.00 39.78 38.52 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 -1.43 0.56 0.00 2.41 -1.51 -1.77 -2.62 116.25 111.89 1ixx h VAL 71 Ca -0.63 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1ixx h VAL 71 Cb 1.39 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1ixx h VAL 71 CO 0.78 0.05 0.00 0.79 -1.23 0.00 0.00 177.57 177.95 1ixx n TRP 72 N -4.45 0.00 -0.28 5.19 8.01 -1.26 -4.74 117.44 119.91 1ixx n TRP 72 Ca 0.22 -0.22 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1ixx n TRP 72 Cb 0.89 -0.02 0.18 0.00 -2.01 0.00 0.00 31.31 30.35 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 0.00 0.99 -0.56 -0.99 4.21 -1.82 -2.34 115.58 115.06 1ixx h ASN 73 Ca 0.00 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1ixx h ASN 73 Cb 0.29 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1ixx h ASN 73 CO 0.00 0.73 0.00 0.00 -1.29 0.00 0.00 177.43 176.87 1ixx n GLN 74 N -4.39 3.16 -1.90 0.81 3.00 -1.26 -4.95 117.38 111.85 1ixx n GLN 74 Ca 0.09 -2.37 -0.29 0.00 -0.01 0.00 0.00 57.00 54.42 1ixx n GLN 74 Cb 0.04 -1.75 0.07 0.00 0.00 0.00 0.00 30.24 28.61 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 -4.50 6.44 -0.10 0.00 3.04 -1.26 -5.00 114.94 113.55 1ixx s ASN 76 Ca 0.61 -1.81 -0.26 0.00 0.04 0.00 0.00 52.86 51.44 1ixx s ASN 76 Cb -0.11 -2.34 -0.02 0.00 -1.54 0.00 0.00 41.25 37.24 1ixx s ASN 76 CO 0.50 -1.05 0.83 0.26 -3.04 0.00 0.00 177.10 174.60 1ixx s TRP 77 N 2.43 3.51 0.01 0.43 0.52 -1.26 -5.04 118.94 119.54 1ixx s TRP 77 Ca 0.21 1.35 0.00 0.00 0.02 0.00 0.00 56.10 57.69 1ixx s TRP 77 Cb -0.14 -2.98 -0.01 0.00 -1.15 0.00 0.00 33.47 29.19 1ixx s TRP 77 CO -0.01 -0.10 -0.02 -0.65 0.02 0.00 0.00 176.95 176.19 1ixx s GLN 78 N 1.53 0.18 0.16 4.98 -0.21 -1.26 -5.01 119.66 120.03 1ixx s GLN 78 Ca 0.41 -0.23 -0.28 0.00 0.02 0.00 0.00 55.36 55.28 1ixx s GLN 78 Cb -0.18 -0.06 -0.07 0.00 1.00 0.00 0.00 33.01 33.70 1ixx s GLN 78 CO 0.17 0.01 0.86 -1.58 -2.12 0.00 0.00 175.29 172.63 1ixx s TRP 79 N -0.47 3.89 -0.80 0.91 0.52 -1.26 -4.93 118.94 116.79 1ixx s TRP 79 Ca -0.04 1.73 0.07 0.00 0.02 0.00 0.00 56.10 57.87 1ixx s TRP 79 Cb -0.03 -2.90 0.34 0.00 -1.15 0.00 0.00 33.47 29.73 1ixx s TRP 79 CO -0.00 0.40 1.21 -1.13 0.02 0.00 0.00 176.95 177.44 1ixx n SER 80 N 2.00 0.15 -1.01 2.95 3.41 -1.26 -0.11 113.62 119.75 1ixx n SER 80 Ca -0.02 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 1ixx n SER 80 Cb 0.49 -0.59 0.20 0.00 -0.26 0.00 0.00 64.21 64.05 1ixx n SER 80 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ixx n ASN 81 N -1.70 3.26 -1.59 4.04 2.04 -1.26 -4.96 115.26 115.09 1ixx n ASN 81 Ca -0.00 -1.93 -0.15 0.00 -0.44 0.00 0.00 54.58 52.06 1ixx n ASN 81 Cb 0.03 -0.24 -0.02 0.00 -2.53 0.00 0.00 39.78 37.02 1ixx n ASN 81 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ixx n ALA 82 N 1.26 -0.40 -1.78 -2.53 0.00 0.84 -4.99 120.51 112.91 1ixx n ALA 82 Ca 0.17 0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1ixx n ALA 82 Cb 0.54 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.70 2.80 0.22 0.00 0.00 -1.26 -4.97 121.76 115.85 1ixx s ALA 83 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1ixx s ALA 83 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1ixx s ALA 83 CO 0.00 -0.54 1.28 -1.64 0.00 0.00 0.00 175.76 174.86 1ixx s MET 84 N -3.19 4.41 -1.33 0.00 -1.94 -1.26 -4.51 119.30 111.48 1ixx s MET 84 Ca 0.69 2.04 -0.13 0.00 -1.71 0.00 0.00 55.69 56.58 1ixx s MET 84 Cb -0.21 -3.18 0.11 0.00 2.01 0.00 0.00 34.83 33.56 1ixx s MET 84 CO 0.24 -0.19 1.90 -0.11 -0.01 0.00 0.00 175.02 176.85 1ixx n LEU 85 N 2.25 6.20 -0.11 -0.03 0.00 -1.26 -4.65 117.00 119.40 1ixx n LEU 85 Ca 0.05 -4.33 -0.18 0.00 0.00 0.00 0.00 56.01 51.55 1ixx n LEU 85 Cb 0.43 -1.61 -0.07 0.00 0.00 0.00 0.00 43.42 42.17 1ixx n LEU 85 CO 0.58 0.98 -0.81 -2.11 0.00 0.00 0.00 177.39 176.02 1ixx n ARG 86 N 5.65 0.54 -2.61 1.96 1.85 -1.26 -4.94 116.66 117.85 1ixx n ARG 86 Ca 0.45 0.39 -0.41 0.00 -1.00 0.00 0.00 57.85 57.27 1ixx n ARG 86 Cb 0.40 -1.59 -0.04 0.00 -1.05 0.00 0.00 32.46 30.18 1ixx n ARG 86 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1ixx s TYR 87 N -2.51 3.67 0.04 2.89 5.04 -1.26 -5.05 117.35 120.17 1ixx s TYR 87 Ca -0.29 1.66 0.07 0.00 -2.44 0.00 0.00 57.07 56.07 1ixx s TYR 87 Cb 0.08 -3.19 -0.02 0.00 0.35 0.00 0.00 41.96 39.18 1ixx s TYR 87 CO 0.45 -0.29 -0.21 0.15 -1.34 0.00 0.00 175.55 174.31 1ixx s LYS 88 N 0.08 1.44 -0.34 4.97 3.01 -1.26 -5.04 119.74 122.61 1ixx s LYS 88 Ca 0.50 -0.92 0.15 0.00 -1.01 0.00 0.00 55.97 54.68 1ixx s LYS 88 Cb -0.26 -1.54 0.43 0.00 -1.01 0.00 0.00 37.83 35.46 1ixx s LYS 88 CO 0.31 0.40 1.27 0.00 0.51 0.00 0.00 175.35 177.84 1ixx n ALA 89 N 1.94 2.42 -1.77 5.17 0.00 -1.26 -5.13 120.51 121.88 1ixx n ALA 89 Ca -0.17 -1.92 -0.40 0.00 0.00 0.00 0.00 53.44 50.96 1ixx n ALA 89 Cb 0.53 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.34 3.02 -0.06 0.00 0.52 -1.26 -4.94 118.94 114.89 1ixx s TRP 90 Ca 0.21 1.47 -0.24 0.00 0.02 0.00 0.00 56.10 57.56 1ixx s TRP 90 Cb 0.41 -3.58 -0.19 0.00 -1.15 0.00 0.00 33.47 28.96 1ixx s TRP 90 CO -0.06 -1.70 0.99 0.00 0.02 0.00 0.00 176.95 176.20 1ixx h ALA 91 N 3.02 -0.09 -4.19 0.98 0.00 -2.05 -3.45 119.26 113.49 1ixx h ALA 91 Ca -0.49 -0.28 -0.62 0.00 0.00 0.00 0.00 54.91 53.52 1ixx h ALA 91 Cb 1.23 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.75 1ixx h ALA 91 CO 0.64 -0.22 -0.86 -1.21 0.00 0.00 0.00 179.25 177.60 1ixx s GLU 92 N -3.47 1.95 0.14 0.00 8.01 -1.26 -5.07 118.70 119.00 1ixx s GLU 92 Ca -0.15 -0.75 -0.13 0.00 0.01 0.00 0.00 54.97 53.94 1ixx s GLU 92 Cb 0.00 -1.76 0.00 0.00 -4.31 0.00 0.00 34.13 28.06 1ixx s GLU 92 CO 0.59 0.38 1.59 0.93 0.01 0.00 0.00 175.26 178.75 1ixx h GLU 93 N 5.91 0.81 -3.29 1.61 5.08 -2.03 -3.46 114.58 119.20 1ixx h GLU 93 Ca -0.36 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 57.63 1ixx h GLU 93 Cb 1.16 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.15 1ixx h GLU 93 CO 0.48 0.87 -0.34 -1.12 -1.00 0.00 0.00 179.01 177.90 1ixx s SER 94 N -6.31 -0.09 0.02 1.42 0.01 -1.26 -4.92 113.70 102.57 1ixx s SER 94 Ca -0.13 -0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.06 1ixx s SER 94 Cb 0.11 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 1ixx s SER 94 CO 0.81 -0.49 -0.13 -0.31 0.41 0.00 0.00 173.24 173.53 1ixx s TYR 95 N -1.86 2.72 0.24 2.43 1.51 -1.26 -1.84 117.35 119.29 1ixx s TYR 95 Ca -0.10 -0.15 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1ixx s TYR 95 Cb -0.04 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1ixx s TYR 95 CO 0.00 0.30 -0.15 0.00 -1.11 0.00 0.00 175.55 174.60 1ixx s VAL 97 N -2.84 5.45 0.19 0.00 1.01 -0.79 -0.56 120.40 122.86 1ixx s VAL 97 Ca 0.26 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 1ixx s VAL 97 Cb -0.01 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1ixx s VAL 97 CO 0.10 0.43 0.42 -0.72 0.00 0.00 0.00 175.10 175.33 1ixx s TYR 98 N -1.21 0.15 0.34 5.22 1.13 -0.45 -1.62 117.35 120.91 1ixx s TYR 98 Ca 0.23 -0.50 0.07 0.00 -1.41 0.00 0.00 57.07 55.45 1ixx s TYR 98 Cb -0.12 0.19 -0.07 0.00 -1.10 0.00 0.00 41.96 40.86 1ixx s TYR 98 CO 0.13 -0.85 -0.02 -0.59 -2.51 0.00 0.00 175.55 171.71 1ixx s PHE 99 N -3.93 2.20 -0.13 -3.49 -0.12 0.38 -1.71 117.98 111.19 1ixx s PHE 99 Ca 0.14 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.33 1ixx s PHE 99 Cb 0.01 -1.39 -0.01 0.00 -0.63 0.00 0.00 43.02 41.01 1ixx s PHE 99 CO -0.00 0.33 -0.17 0.21 -0.05 0.00 0.00 175.22 175.54 1ixx s LYS 100 N -3.73 3.24 0.00 1.99 2.20 -1.26 -0.54 119.74 121.65 1ixx s LYS 100 Ca 0.33 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1ixx s LYS 100 Cb 0.06 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1ixx s LYS 100 CO 0.15 0.15 0.32 -1.13 -0.36 0.00 0.00 175.35 174.48 1ixx n SER 101 N 3.68 0.00 0.09 1.43 3.41 0.15 -1.12 113.62 121.27 1ixx n SER 101 Ca -0.19 0.02 0.02 0.00 -0.26 0.00 0.00 58.87 58.46 1ixx n SER 101 Cb 0.52 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.66 -2.91 6.66 1.35 -1.90 -3.43 112.91 113.34 1ixx h THR 102 Ca 0.00 -2.05 0.04 0.00 -0.55 0.00 0.00 66.41 63.85 1ixx h THR 102 Cb 0.02 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1ixx h THR 102 CO 0.00 0.38 0.30 0.54 -0.25 0.00 0.00 175.52 176.49 1ixx s ASN 103 N -6.11 -0.09 -0.16 5.36 6.03 -0.27 -5.06 114.94 114.63 1ixx s ASN 103 Ca 0.01 -0.88 0.11 0.00 -1.03 0.00 0.00 52.86 51.07 1ixx s ASN 103 Cb 0.08 0.75 0.61 0.00 -3.03 0.00 0.00 41.25 39.67 1ixx s ASN 103 CO 0.78 -1.46 1.45 -0.46 -2.03 0.00 0.00 177.10 175.37 1ixx n ASN 104 N -1.02 4.46 -4.78 3.54 6.94 -1.26 -4.05 115.26 119.09 1ixx n ASN 104 Ca -0.06 -2.64 -0.35 0.00 -0.02 0.00 0.00 54.58 51.51 1ixx n ASN 104 Cb 0.60 -0.62 -0.01 0.00 -2.36 0.00 0.00 39.78 37.39 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 -2.23 3.46 -0.08 -3.83 -0.14 -1.26 -5.02 119.74 110.64 1ixx s LYS 105 Ca 0.41 1.54 -0.15 0.00 -1.36 0.00 0.00 55.97 56.41 1ixx s LYS 105 Cb 0.31 -2.03 -0.05 0.00 -1.68 0.00 0.00 37.83 34.38 1ixx s LYS 105 CO 0.14 -0.75 0.39 -1.58 -0.76 0.00 0.00 175.35 172.78 1ixx s TRP 106 N -1.85 3.59 0.19 3.18 0.52 -1.26 -4.59 118.94 118.73 1ixx s TRP 106 Ca 0.71 0.84 0.05 0.00 0.02 0.00 0.00 56.10 57.72 1ixx s TRP 106 Cb -0.22 -2.36 -0.05 0.00 -1.15 0.00 0.00 33.47 29.69 1ixx s TRP 106 CO 0.26 0.41 -0.07 1.03 0.02 0.00 0.00 176.95 178.60 1ixx s ARG 107 N -0.19 1.21 0.05 4.98 0.52 -0.69 -5.01 118.95 119.82 1ixx s ARG 107 Ca 0.22 -1.57 0.09 0.00 -0.52 0.00 0.00 55.73 53.96 1ixx s ARG 107 Cb -0.15 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.60 1ixx s ARG 107 CO 0.10 0.02 -0.25 -1.54 0.02 0.00 0.00 175.30 173.64 1ixx s SER 108 N -3.25 3.05 -0.10 0.23 1.04 -1.26 -1.34 113.70 112.08 1ixx s SER 108 Ca 0.22 -0.60 -0.16 0.00 0.48 0.00 0.00 55.95 55.89 1ixx s SER 108 Cb 0.03 -0.26 0.04 0.00 0.10 0.00 0.00 66.02 65.93 1ixx s SER 108 CO 0.05 0.23 0.41 -0.60 0.98 0.00 0.00 173.24 174.30 1ixx s ARG 109 N -1.33 0.60 0.22 4.02 3.52 0.28 -4.96 118.95 121.31 1ixx s ARG 109 Ca 0.11 0.29 -0.32 0.00 -0.13 0.00 0.00 55.73 55.68 1ixx s ARG 109 Cb -0.10 0.28 -0.12 0.00 -1.56 0.00 0.00 34.95 33.45 1ixx s ARG 109 CO 0.02 -0.13 1.65 0.00 -0.81 0.00 0.00 175.30 176.04 1ixx n ALA 110 N 2.13 2.41 0.33 6.12 0.00 -1.26 0.15 120.51 130.40 1ixx n ALA 110 Ca -0.17 0.40 0.19 0.00 0.00 0.00 0.00 53.44 53.86 1ixx n ALA 110 Cb 0.57 -2.46 0.99 0.00 0.00 0.00 0.00 19.45 18.54 1ixx n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixx n ARG 112 N -2.99 0.16 -1.56 0.00 1.85 -1.26 -2.11 116.66 110.75 1ixx n ARG 112 Ca -0.02 0.12 -0.31 0.00 -1.00 0.00 0.00 57.85 56.63 1ixx n ARG 112 Cb 0.25 -1.67 0.05 0.00 -1.05 0.00 0.00 32.46 30.04 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 -3.07 2.91 0.40 2.89 1.00 -0.63 -4.72 119.30 118.08 1ixx s MET 113 Ca 0.11 0.97 -0.13 0.00 0.00 0.00 0.00 55.69 56.65 1ixx s MET 113 Cb 0.15 -1.99 -0.07 0.00 0.00 0.00 0.00 34.83 32.92 1ixx s MET 113 CO 0.59 -1.12 0.79 -1.64 0.00 0.00 0.00 175.02 173.64 1ixx s MET 114 N -5.03 3.86 -0.12 2.03 -1.94 -1.26 -3.94 119.30 112.91 1ixx s MET 114 Ca 0.58 0.59 -0.30 0.00 -1.71 0.00 0.00 55.69 54.85 1ixx s MET 114 Cb -0.14 -2.36 0.12 0.00 2.01 0.00 0.00 34.83 34.46 1ixx s MET 114 CO 0.55 -0.02 1.00 0.00 -0.01 0.00 0.00 175.02 176.54 1ixx s ALA 115 N -2.31 -1.92 0.92 3.03 0.00 -0.93 -4.94 121.76 115.61 1ixx s ALA 115 Ca 0.53 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.79 1ixx s ALA 115 Cb -0.10 -0.26 0.16 0.00 0.00 0.00 0.00 23.12 22.92 1ixx s ALA 115 CO 0.28 -0.48 0.99 1.04 0.00 0.00 0.00 175.76 177.59 1ixx n GLN 116 N 0.26 -0.78 -3.54 0.00 6.02 -0.68 -2.01 117.38 116.65 1ixx n GLN 116 Ca -0.08 -1.76 -0.10 0.00 -0.01 0.00 0.00 57.00 55.05 1ixx n GLN 116 Cb 0.59 -0.95 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 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 -3.09 -0.43 -0.11 1.08 -0.71 -1.21 -1.05 117.98 112.46 1ixx s PHE 117 Ca 0.58 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.66 1ixx s PHE 117 Cb -0.02 0.60 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 1ixx s PHE 117 CO 0.40 -0.91 -0.19 0.08 -1.34 0.00 0.00 175.22 173.26 1ixx s VAL 118 N -3.71 1.78 0.26 -2.49 1.01 -1.26 0.13 120.40 116.12 1ixx s VAL 118 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ixx s VAL 118 Cb -0.02 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1ixx s VAL 118 CO -0.07 0.50 0.45 0.00 0.00 0.00 0.00 175.10 175.97 1ixx s GLU 120 N -3.79 0.34 0.21 0.00 2.12 0.88 -1.82 118.70 116.65 1ixx s GLU 120 Ca 0.39 -0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 1ixx s GLU 120 Cb -0.10 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.45 1ixx s GLU 120 CO 0.31 -0.07 0.54 -0.59 -0.54 0.00 0.00 175.26 174.91 1ixx s PHE 121 N -0.80 -0.04 0.29 5.30 -0.12 -0.52 -1.25 117.98 120.84 1ixx s PHE 121 Ca -0.09 -0.32 0.07 0.00 -0.05 0.00 0.00 56.93 56.55 1ixx s PHE 121 Cb -0.05 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1ixx s PHE 121 CO 0.01 -0.97 0.23 1.14 -0.05 0.00 0.00 175.22 175.58 1ixx s GLN 122 N -3.90 2.79 0.00 1.99 0.00 -1.26 -0.12 119.66 119.15 1ixx s GLN 122 Ca 0.12 -1.20 0.00 0.00 -0.00 0.00 0.00 55.36 54.28 1ixx s GLN 122 Cb -0.02 -2.49 0.00 0.00 0.00 0.00 0.00 33.01 30.50 1ixx s GLN 122 CO 0.00 0.25 0.00 0.00 0.00 0.00 0.00 175.29 175.54