#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iod s SER 3 N -3.21 2.15 0.37 0.00 0.15 -1.26 -4.87 113.70 107.03 1iod s SER 3 Ca 0.31 1.51 -0.28 0.00 0.70 0.00 0.00 55.95 58.19 1iod s SER 3 Cb 0.02 -2.19 -0.11 0.00 -1.71 0.00 0.00 66.02 62.02 1iod s SER 3 CO 0.22 -3.47 1.51 -0.24 1.20 0.00 0.00 173.24 172.46 1iod n SER 4 N -4.43 3.85 0.00 5.45 2.88 -1.26 -2.29 113.62 117.82 1iod n SER 4 Ca 0.05 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1iod n SER 4 Cb 0.55 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1iod n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iod n GLY 5 N 0.65 0.65 3.67 0.46 0.00 -1.26 -5.02 105.19 104.33 1iod n GLY 5 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1iod n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iod s TRP 6 N -2.71 3.05 -0.10 1.61 0.52 -0.97 -4.82 118.94 115.53 1iod s TRP 6 Ca 0.00 0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.15 1iod s TRP 6 Cb 0.00 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1iod s TRP 6 CO 0.00 0.45 0.04 -1.12 0.02 0.00 0.00 176.95 176.34 1iod s SER 7 N -1.53 5.52 0.09 2.95 0.01 0.55 -4.71 113.70 116.57 1iod s SER 7 Ca 0.19 0.21 -0.09 0.00 1.31 0.00 0.00 55.95 57.57 1iod s SER 7 Cb -0.11 -1.65 -0.06 0.00 0.21 0.00 0.00 66.02 64.41 1iod s SER 7 CO 0.10 0.37 0.40 -0.44 0.41 0.00 0.00 173.24 174.08 1iod s SER 8 N -0.81 6.63 -0.30 2.44 0.01 -1.26 -0.33 113.70 120.07 1iod s SER 8 Ca 0.13 0.78 -0.07 0.00 1.31 0.00 0.00 55.95 58.09 1iod s SER 8 Cb -0.12 -2.17 0.16 0.00 0.21 0.00 0.00 66.02 64.11 1iod s SER 8 CO 0.03 0.15 0.70 -0.47 0.41 0.00 0.00 173.24 174.06 1iod s TYR 9 N -1.44 -1.32 -1.38 2.43 5.04 -0.33 -4.95 117.35 115.41 1iod s TYR 9 Ca 0.34 1.78 -0.07 0.00 -2.44 0.00 0.00 57.07 56.68 1iod s TYR 9 Cb -0.14 0.60 0.03 0.00 0.35 0.00 0.00 41.96 42.81 1iod s TYR 9 CO 0.19 -0.69 0.98 0.39 -1.34 0.00 0.00 175.55 175.07 1iod n GLU 10 N 5.39 -6.25 -2.06 4.97 -0.58 -1.26 -1.95 120.64 118.90 1iod n GLU 10 Ca -0.06 0.71 -0.14 0.00 -0.42 0.00 0.00 57.16 57.24 1iod n GLU 10 Cb 0.51 -5.59 -0.02 0.00 -0.57 0.00 0.00 31.44 25.77 1iod n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iod n GLY 11 N -1.67 0.20 3.12 0.62 0.00 -1.26 -4.99 105.19 101.21 1iod n GLY 11 Ca -0.10 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1iod n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iod s HIS 12 N -2.66 1.00 -0.02 1.61 3.76 -0.82 -5.07 115.29 113.08 1iod s HIS 12 Ca 0.00 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 1iod s HIS 12 Cb 0.00 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1iod s HIS 12 CO 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 174.74 173.84 1iod s TYR 14 N -0.95 0.52 -0.18 0.00 1.51 0.55 -1.13 117.35 117.67 1iod s TYR 14 Ca 0.16 -0.52 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1iod s TYR 14 Cb -0.11 -0.32 0.06 0.00 -0.11 0.00 0.00 41.96 41.47 1iod s TYR 14 CO 0.06 -0.13 0.43 0.21 -1.11 0.00 0.00 175.55 175.01 1iod s LYS 15 N -1.58 0.42 -0.14 -0.62 2.20 -0.79 -0.33 119.74 118.89 1iod s LYS 15 Ca -0.12 0.81 -0.19 0.00 -0.36 0.00 0.00 55.97 56.12 1iod s LYS 15 Cb -0.10 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1iod s LYS 15 CO -0.00 -0.16 0.52 0.08 -0.36 0.00 0.00 175.35 175.43 1iod s VAL 16 N 1.39 5.14 -0.20 4.02 1.01 -1.26 -1.63 120.40 128.87 1iod s VAL 16 Ca -0.09 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1iod s VAL 16 Cb -0.08 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1iod s VAL 16 CO -0.13 0.26 -0.05 -0.36 0.00 0.00 0.00 175.10 174.82 1iod s PHE 17 N 1.04 2.95 -0.57 5.22 0.40 0.09 -5.00 117.98 122.11 1iod s PHE 17 Ca 0.27 -0.75 0.25 0.00 -0.60 0.00 0.00 56.93 56.11 1iod s PHE 17 Cb -0.15 -2.04 0.87 0.00 0.51 0.00 0.00 43.02 42.20 1iod s PHE 17 CO 0.11 -0.39 1.75 0.87 0.70 0.00 0.00 175.22 178.26 1iod h LYS 18 N 7.64 0.00 -6.73 0.44 1.57 -1.97 -2.59 116.57 114.92 1iod h LYS 18 Ca -0.37 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.89 1iod h LYS 18 Cb 1.18 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.53 1iod h LYS 18 CO 0.60 0.00 0.69 -0.65 -0.57 0.00 0.00 179.45 179.52 1iod s GLN 19 N -3.22 4.34 -0.16 3.15 1.11 -1.26 -4.58 119.66 119.05 1iod s GLN 19 Ca 0.08 2.16 -0.24 0.00 0.01 0.00 0.00 55.36 57.37 1iod s GLN 19 Cb 0.11 -3.15 -0.02 0.00 -1.01 0.00 0.00 33.01 28.94 1iod s GLN 19 CO 0.53 -0.30 0.75 -1.12 0.01 0.00 0.00 175.29 175.16 1iod s SER 20 N 0.22 6.87 0.04 5.90 0.01 -1.26 -4.09 113.70 121.40 1iod s SER 20 Ca 0.56 1.07 -0.01 0.00 1.31 0.00 0.00 55.95 58.88 1iod s SER 20 Cb -0.39 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 1iod s SER 20 CO 0.42 -0.32 -0.03 -0.54 0.41 0.00 0.00 173.24 173.18 1iod s LYS 21 N 1.88 0.53 0.93 12.44 1.02 -0.58 -4.61 119.74 131.34 1iod s LYS 21 Ca 0.35 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 1iod s LYS 21 Cb -0.16 0.18 0.15 0.00 -0.52 0.00 0.00 37.83 37.47 1iod s LYS 21 CO 0.13 -0.09 1.09 0.95 -0.92 0.00 0.00 175.35 176.50 1iod s THR 22 N -3.23 2.52 0.19 2.17 -4.23 -1.23 -1.21 115.64 110.63 1iod s THR 22 Ca 0.01 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1iod s THR 22 Cb 0.03 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.37 1iod s THR 22 CO -0.07 -0.22 1.79 -0.25 -0.54 0.00 0.00 174.62 175.32 1iod h TRP 23 N -1.67 0.54 -0.21 3.99 7.01 -1.57 -0.56 115.95 123.48 1iod h TRP 23 Ca -0.51 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.51 1iod h TRP 23 Cb 1.29 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.19 1iod h TRP 23 CO 0.40 0.24 0.11 0.00 -2.79 0.00 0.00 178.44 176.41 1iod h ALA 24 N 1.32 0.26 -0.34 2.65 0.00 -1.91 -1.31 119.26 119.93 1iod h ALA 24 Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1iod h ALA 24 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1iod h ALA 24 CO -0.19 -0.20 -0.17 -0.44 0.00 0.00 0.00 179.25 178.25 1iod h ASP 25 N 0.23 0.62 -0.61 0.00 3.32 -1.86 -2.15 116.42 115.97 1iod h ASP 25 Ca 0.07 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1iod h ASP 25 Cb 0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1iod h ASP 25 CO -0.01 0.80 0.32 0.00 -1.72 0.00 0.00 179.24 178.62 1iod h ALA 26 N 1.26 0.78 -0.01 3.45 0.00 -0.90 -0.08 119.26 123.76 1iod h ALA 26 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iod h ALA 26 Cb 0.61 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iod h ALA 26 CO 0.04 0.31 0.00 1.49 0.00 0.00 0.00 179.25 181.10 1iod h GLU 27 N 0.82 0.01 -0.48 0.00 4.57 -0.87 -1.59 114.58 117.04 1iod h GLU 27 Ca 0.21 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1iod h GLU 27 Cb 0.07 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1iod h GLU 27 CO -0.03 0.07 0.31 0.77 -1.18 0.00 0.00 179.01 178.95 1iod h SER 28 N -0.06 0.53 -0.41 1.04 0.02 -1.20 -2.37 113.55 111.10 1iod h SER 28 Ca 0.00 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1iod h SER 28 Cb 0.07 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 1iod h SER 28 CO -0.00 0.38 -0.11 0.15 -1.14 0.00 0.00 176.83 176.11 1iod h PHE 29 N 0.63 -0.23 -0.96 3.45 3.57 -0.73 -1.41 116.94 121.25 1iod h PHE 29 Ca 0.18 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1iod h PHE 29 Cb -0.05 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1iod h PHE 29 CO -0.05 -0.18 0.63 0.00 -2.23 0.00 0.00 178.31 176.48 1iod h THR 31 N 1.23 0.00 0.00 0.00 1.35 -0.79 -2.96 112.91 111.74 1iod h THR 31 Ca 0.38 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1iod h THR 31 Cb -0.01 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1iod h THR 31 CO -0.11 0.00 -1.05 0.29 -0.25 0.00 0.00 175.52 174.40 1iod n LYS 32 N -2.55 0.07 -0.01 4.72 5.02 -0.30 -4.49 118.16 120.61 1iod n LYS 32 Ca 0.02 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1iod n LYS 32 Cb 0.27 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 1iod n LYS 32 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1iod h GLN 33 N 0.00 0.20 -4.98 1.97 1.08 -1.24 -3.48 115.11 108.66 1iod h GLN 33 Ca 0.00 -0.34 -0.33 0.00 -1.45 0.00 0.00 58.65 56.53 1iod h GLN 33 Cb 0.55 0.13 -0.18 0.00 -0.05 0.00 0.00 27.48 27.93 1iod h GLN 33 CO 0.00 1.16 -0.74 0.14 -0.95 0.00 0.00 178.83 178.45 1iod s VAL 34 N -2.44 0.95 -0.07 -0.54 -7.23 -1.21 -5.06 120.40 104.80 1iod s VAL 34 Ca -0.20 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1iod s VAL 34 Cb 0.04 -1.32 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 1iod s VAL 34 CO 0.74 -0.53 2.07 0.59 -0.31 0.00 0.00 175.10 177.66 1iod n ASN 35 N 0.63 3.78 -0.44 4.85 3.02 -1.26 -1.59 115.26 124.25 1iod n ASN 35 Ca -0.17 0.64 -0.06 0.00 -0.03 0.00 0.00 54.58 54.97 1iod n ASN 35 Cb 0.57 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.19 1iod n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iod n GLY 36 N 5.02 0.82 3.78 7.41 0.00 -1.26 -4.88 105.19 116.08 1iod n GLY 36 Ca 0.24 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1iod n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iod s GLY 37 N -2.90 2.64 0.30 -0.02 0.00 -0.62 -4.67 107.32 102.04 1iod s GLY 37 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 44.72 45.37 1iod s GLY 37 CO 0.00 1.17 0.64 0.30 0.00 0.00 0.00 173.10 175.20 1iod s HIS 38 N -1.77 0.18 0.59 1.90 3.76 -0.75 -3.19 115.29 116.00 1iod s HIS 38 Ca 0.70 -0.64 -0.19 0.00 -0.15 0.00 0.00 55.06 54.79 1iod s HIS 38 Cb -0.23 0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.92 1iod s HIS 38 CO 0.27 -1.23 1.22 -0.51 -0.85 0.00 0.00 174.74 173.63 1iod s LEU 39 N -3.02 3.69 0.32 0.89 1.43 -1.26 -0.58 118.68 120.16 1iod s LEU 39 Ca 0.18 2.42 -0.28 0.00 -1.03 0.00 0.00 54.13 55.41 1iod s LEU 39 Cb -0.04 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.49 1iod s LEU 39 CO 0.10 -1.58 1.21 0.55 0.23 0.00 0.00 176.35 176.87 1iod n VAL 40 N -1.52 1.97 -3.93 -1.59 3.14 0.68 -4.31 118.33 112.77 1iod n VAL 40 Ca 0.13 -0.49 -0.34 0.00 -2.96 0.00 0.00 64.34 60.68 1iod n VAL 40 Cb 0.49 -1.41 -0.14 0.00 -1.06 0.00 0.00 33.84 31.73 1iod n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1iod s SER 41 N -0.36 4.84 -0.92 6.55 1.04 -1.26 -0.56 113.70 123.04 1iod s SER 41 Ca 0.57 -1.52 -0.22 0.00 0.48 0.00 0.00 55.95 55.25 1iod s SER 41 Cb -0.61 -1.69 0.08 0.00 0.10 0.00 0.00 66.02 63.90 1iod s SER 41 CO 0.61 -0.30 1.27 -0.63 0.98 0.00 0.00 173.24 175.17 1iod s ILE 42 N 1.16 4.21 -2.29 -1.02 1.01 -1.26 -4.82 121.20 118.19 1iod s ILE 42 Ca -0.02 -0.86 0.21 0.00 0.00 0.00 0.00 60.65 59.98 1iod s ILE 42 Cb -0.20 -4.91 0.46 0.00 0.01 0.00 0.00 42.46 37.82 1iod s ILE 42 CO -0.03 -1.73 1.45 -0.62 0.00 0.00 0.00 174.94 174.00 1iod n GLU 43 N 8.03 2.27 -3.54 2.79 1.02 -1.26 -4.95 120.64 124.99 1iod n GLU 43 Ca 0.22 -1.93 -0.08 0.00 -0.02 0.00 0.00 57.16 55.35 1iod n GLU 43 Cb 0.49 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1iod n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1iod s SER 44 N -1.36 -0.36 0.18 1.62 1.04 -1.26 -5.01 113.70 108.55 1iod s SER 44 Ca 0.37 -0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.57 1iod s SER 44 Cb 0.21 0.44 0.16 0.00 0.10 0.00 0.00 66.02 66.93 1iod s SER 44 CO 0.29 -0.74 1.70 -1.28 0.98 0.00 0.00 173.24 174.19 1iod h SER 45 N 2.00 -0.13 -0.43 7.02 0.87 -1.99 0.53 113.55 121.42 1iod h SER 45 Ca -0.24 0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.30 1iod h SER 45 Cb 1.25 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.36 1iod h SER 45 CO 0.31 -0.03 -0.18 1.23 -0.53 0.00 0.00 176.83 177.63 1iod h GLY 46 N 0.15 1.00 0.99 5.77 0.00 -1.99 -1.35 103.07 107.64 1iod h GLY 46 Ca 0.23 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1iod h GLY 46 CO -0.35 0.77 0.13 -2.09 0.00 0.00 0.00 176.54 175.00 1iod h GLU 47 N 0.81 0.85 -0.60 4.80 4.81 -1.82 -0.12 114.58 123.31 1iod h GLU 47 Ca 0.12 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1iod h GLU 47 Cb 0.73 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1iod h GLU 47 CO 0.06 0.81 0.35 0.00 -0.73 0.00 0.00 179.01 179.50 1iod h ALA 48 N 1.01 0.79 0.06 2.92 0.00 -0.67 0.93 119.26 124.30 1iod h ALA 48 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iod h ALA 48 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iod h ALA 48 CO 0.00 0.06 -0.03 -0.44 0.00 0.00 0.00 179.25 178.84 1iod h ASP 49 N 0.68 -0.07 0.09 0.00 5.19 -0.84 0.68 116.42 122.15 1iod h ASP 49 Ca 0.25 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1iod h ASP 49 Cb 0.08 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1iod h ASP 49 CO -0.13 0.01 -0.10 0.15 -3.12 0.00 0.00 179.24 176.05 1iod h PHE 50 N -0.15 -0.26 -0.60 4.55 3.57 -0.59 -1.80 116.94 121.65 1iod h PHE 50 Ca -0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1iod h PHE 50 Cb 0.13 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1iod h PHE 50 CO -0.05 -0.16 0.19 0.28 -2.23 0.00 0.00 178.31 176.34 1iod h VAL 51 N -0.22 1.23 -0.49 1.41 2.07 -0.78 0.54 116.25 120.01 1iod h VAL 51 Ca 0.01 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1iod h VAL 51 Cb 0.22 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1iod h VAL 51 CO -0.03 0.30 0.23 1.23 0.02 0.00 0.00 177.57 179.32 1iod h GLY 52 N 1.01 0.76 1.30 2.17 0.00 -0.69 -0.53 103.07 107.08 1iod h GLY 52 Ca 0.20 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1iod h GLY 52 CO -0.01 0.36 -0.26 1.46 0.00 0.00 0.00 176.54 178.09 1iod h GLN 53 N 0.65 0.80 -0.56 4.80 4.20 -0.99 -1.73 115.11 122.28 1iod h GLN 53 Ca 0.17 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1iod h GLN 53 Cb 0.13 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1iod h GLN 53 CO -0.02 0.97 0.32 1.25 -0.67 0.00 0.00 178.83 180.68 1iod h LEU 54 N 0.69 0.69 -0.31 1.46 5.85 -0.51 -2.77 115.31 120.41 1iod h LEU 54 Ca 0.09 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1iod h LEU 54 Cb 0.79 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1iod h LEU 54 CO 0.07 0.57 -0.05 0.40 -0.34 0.00 0.00 178.44 179.08 1iod h ILE 55 N 0.75 1.27 -0.11 4.05 2.04 -1.01 -3.03 117.51 121.47 1iod h ILE 55 Ca 0.20 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1iod h ILE 55 Cb 0.02 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1iod h ILE 55 CO -0.03 0.34 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1iod h ALA 56 N 0.81 1.53 -0.03 1.87 0.00 -1.03 0.27 119.26 122.67 1iod h ALA 56 Ca 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1iod h ALA 56 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1iod h ALA 56 CO 0.03 -0.34 -0.73 1.96 0.00 0.00 0.00 179.25 180.16 1iod h GLN 57 N 0.00 0.20 0.00 0.00 4.20 -1.39 -3.37 115.11 114.75 1iod h GLN 57 Ca 0.05 -0.17 -0.26 0.00 0.06 0.00 0.00 58.65 58.33 1iod h GLN 57 Cb 0.62 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.39 1iod h GLN 57 CO -0.00 0.84 -1.97 1.63 -0.67 0.00 0.00 178.83 178.66 1iod n LYS 58 N -3.76 1.27 -3.54 1.46 5.02 -0.38 -4.96 118.16 113.27 1iod n LYS 58 Ca -0.03 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 1iod n LYS 58 Cb 0.71 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 34.26 1iod n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iod s ILE 59 N -2.34 5.28 -0.12 -0.18 -1.09 -0.06 -4.92 121.20 117.77 1iod s ILE 59 Ca -0.13 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1iod s ILE 59 Cb 0.05 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1iod s ILE 59 CO 0.51 0.16 0.22 0.29 -1.23 0.00 0.00 174.94 174.89 1iod n LYS 60 N 5.13 4.24 -2.90 2.79 4.76 -1.26 -4.56 118.16 126.36 1iod n LYS 60 Ca -0.13 -0.19 -0.35 0.00 -2.87 0.00 0.00 58.31 54.78 1iod n LYS 60 Cb 0.51 -0.72 -0.07 0.00 -1.84 0.00 0.00 35.03 32.92 1iod n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iod s SER 61 N -0.84 7.06 0.00 4.39 0.15 -1.26 -4.96 113.70 118.24 1iod s SER 61 Ca 0.01 1.63 0.15 0.00 0.70 0.00 0.00 55.95 58.44 1iod s SER 61 Cb 0.01 -2.51 0.05 0.00 -1.71 0.00 0.00 66.02 61.86 1iod s SER 61 CO 0.05 -0.18 0.87 0.00 1.20 0.00 0.00 173.24 175.18 1iod n ALA 62 N -0.00 2.83 0.46 5.45 0.00 -1.26 -4.35 120.51 123.64 1iod n ALA 62 Ca 0.03 -0.55 0.13 0.00 0.00 0.00 0.00 53.44 53.05 1iod n ALA 62 Cb 0.52 -0.50 0.38 0.00 0.00 0.00 0.00 19.45 19.84 1iod n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1iod h LYS 63 N 2.15 0.00 -5.06 0.00 1.57 -2.05 -3.47 116.57 109.71 1iod h LYS 63 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1iod h LYS 63 Cb 0.54 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 1iod h LYS 63 CO 0.00 0.00 -0.52 0.96 -0.57 0.00 0.00 179.45 179.32 1iod s ILE 64 N -3.20 0.66 0.32 1.86 -5.25 -1.26 -5.18 121.20 109.14 1iod s ILE 64 Ca 0.08 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 57.77 1iod s ILE 64 Cb 0.10 -2.35 -0.05 0.00 2.95 0.00 0.00 42.46 43.11 1iod s ILE 64 CO 0.58 0.00 0.08 -1.38 -1.79 0.00 0.00 174.94 172.44 1iod s HIS 65 N -3.18 1.81 -0.20 1.37 -3.43 -1.26 -4.71 115.29 105.68 1iod s HIS 65 Ca 0.23 -1.08 -0.02 0.00 -0.80 0.00 0.00 55.06 53.39 1iod s HIS 65 Cb 0.03 -1.14 0.00 0.00 -1.43 0.00 0.00 32.58 30.04 1iod s HIS 65 CO 0.14 -0.15 -0.11 0.08 -2.00 0.00 0.00 174.74 172.69 1iod s VAL 66 N -3.43 2.82 0.30 -5.38 1.01 -0.20 -3.55 120.40 111.96 1iod s VAL 66 Ca 0.35 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1iod s VAL 66 Cb 0.08 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 1iod s VAL 66 CO 0.15 0.48 1.35 0.26 0.00 0.00 0.00 175.10 177.34 1iod s TRP 67 N 1.30 3.03 0.30 5.22 0.23 -0.14 -1.21 118.94 127.66 1iod s TRP 67 Ca 0.04 1.28 0.09 0.00 -2.03 0.00 0.00 56.10 55.47 1iod s TRP 67 Cb -0.14 -3.73 -0.06 0.00 0.03 0.00 0.00 33.47 29.57 1iod s TRP 67 CO -0.06 -2.15 -0.09 0.96 0.96 0.00 0.00 176.95 176.57 1iod s ILE 68 N -0.72 2.00 -1.11 2.03 -4.36 -0.90 -3.41 121.20 114.73 1iod s ILE 68 Ca 0.53 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1iod s ILE 68 Cb -0.40 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 40.80 1iod s ILE 68 CO 0.50 -0.28 0.29 0.61 0.24 0.00 0.00 174.94 176.29 1iod n GLY 69 N -0.67 0.63 3.66 6.27 0.00 0.28 -4.59 105.19 110.76 1iod n GLY 69 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1iod n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iod s LEU 70 N -0.11 3.88 -0.00 0.99 0.20 -1.26 -4.97 118.68 117.40 1iod s LEU 70 Ca 0.00 0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.81 1iod s LEU 70 Cb 0.00 -1.98 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1iod s LEU 70 CO 0.00 0.19 0.25 -0.60 -0.29 0.00 0.00 176.35 175.90 1iod s ARG 71 N 0.27 0.62 -0.21 1.98 3.52 -1.26 -1.74 118.95 122.13 1iod s ARG 71 Ca 0.04 -0.29 -0.20 0.00 -0.13 0.00 0.00 55.73 55.16 1iod s ARG 71 Cb -0.12 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1iod s ARG 71 CO 0.00 -0.17 0.60 0.00 -0.81 0.00 0.00 175.30 174.93 1iod s ALA 72 N -1.44 3.55 0.02 6.12 0.00 0.04 -4.96 121.76 125.09 1iod s ALA 72 Ca -0.13 -0.33 0.15 0.00 0.00 0.00 0.00 51.96 51.65 1iod s ALA 72 Cb -0.06 -2.94 0.27 0.00 0.00 0.00 0.00 23.12 20.39 1iod s ALA 72 CO 0.03 -0.56 1.54 1.96 0.00 0.00 0.00 175.76 178.72 1iod h GLN 73 N 7.53 0.00 -6.45 0.00 1.08 -2.00 -3.46 115.11 111.80 1iod h GLN 73 Ca -0.31 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.27 1iod h GLN 73 Cb 1.14 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.66 1iod h GLN 73 CO 0.76 0.53 0.38 0.09 -0.95 0.00 0.00 178.83 179.64 1iod n ASN 74 N -3.38 1.87 0.12 1.46 4.13 -1.26 -4.88 115.26 113.32 1iod n ASN 74 Ca 0.01 1.15 0.03 0.00 1.68 0.00 0.00 54.58 57.45 1iod n ASN 74 Cb 0.67 -1.31 0.01 0.00 -1.54 0.00 0.00 39.78 37.61 1iod n ASN 74 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1iod h LYS 75 N 3.47 0.00 -7.31 3.52 1.57 -1.97 -3.47 116.57 112.38 1iod h LYS 75 Ca -0.43 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.84 1iod h LYS 75 Cb 1.32 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.77 1iod h LYS 75 CO 0.71 0.39 0.28 -1.83 -0.57 0.00 0.00 179.45 178.42 1iod s GLU 76 N -2.99 1.78 0.26 3.15 1.03 -1.26 -4.96 118.70 115.72 1iod s GLU 76 Ca 0.02 1.15 0.10 0.00 0.03 0.00 0.00 54.97 56.27 1iod s GLU 76 Cb 0.08 -1.84 0.33 0.00 -0.80 0.00 0.00 34.13 31.89 1iod s GLU 76 CO 0.76 -1.97 1.59 0.87 -1.33 0.00 0.00 175.26 175.19 1iod h LYS 77 N -1.37 0.00 -4.33 -4.83 6.56 -2.04 -3.45 116.57 107.11 1iod h LYS 77 Ca -0.45 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 58.98 1iod h LYS 77 Cb 1.25 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.75 1iod h LYS 77 CO 0.50 0.64 -0.69 1.14 -2.06 0.00 0.00 179.45 178.98 1iod s GLN 78 N -3.56 0.63 -0.11 3.15 0.00 -1.26 -4.99 119.66 113.52 1iod s GLN 78 Ca -0.01 -1.16 0.03 0.00 -0.00 0.00 0.00 55.36 54.21 1iod s GLN 78 Cb 0.13 0.07 -0.00 0.00 0.00 0.00 0.00 33.01 33.20 1iod s GLN 78 CO 0.77 -0.07 -0.20 0.00 0.00 0.00 0.00 175.29 175.78 1iod n SER 80 N 3.53 -2.28 -4.68 0.00 7.64 -1.26 -4.94 113.62 111.62 1iod n SER 80 Ca -0.19 0.22 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 1iod n SER 80 Cb 0.53 -2.23 -0.07 0.00 -1.01 0.00 0.00 64.21 61.43 1iod n SER 80 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1iod s ILE 81 N -1.86 3.22 0.45 0.44 -4.36 -1.26 -5.14 121.20 112.68 1iod s ILE 81 Ca 0.00 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1iod s ILE 81 Cb 0.00 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1iod s ILE 81 CO 0.00 -0.28 0.12 -1.61 0.24 0.00 0.00 174.94 173.40 1iod s GLU 82 N -3.75 2.05 0.72 0.37 8.01 -1.26 -4.71 118.70 120.13 1iod s GLU 82 Ca 0.34 -2.28 -0.11 0.00 0.01 0.00 0.00 54.97 52.94 1iod s GLU 82 Cb -0.04 -0.77 0.03 0.00 -4.31 0.00 0.00 34.13 29.04 1iod s GLU 82 CO 0.21 -0.51 1.07 -1.58 0.01 0.00 0.00 175.26 174.46 1iod s TRP 83 N -3.11 2.92 -1.15 1.61 0.52 -0.21 -4.88 118.94 114.64 1iod s TRP 83 Ca 0.17 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.78 1iod s TRP 83 Cb 0.01 -2.94 0.10 0.00 -1.15 0.00 0.00 33.47 29.49 1iod s TRP 83 CO 0.12 -1.43 1.00 -1.13 0.02 0.00 0.00 176.95 175.53 1iod n SER 84 N -3.27 0.00 0.00 2.95 3.41 -1.26 -0.98 113.62 114.47 1iod n SER 84 Ca 0.08 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1iod n SER 84 Cb 0.53 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.96 1iod n SER 84 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iod n ASP 85 N -1.43 0.89 0.00 4.04 5.68 -1.26 -4.99 116.55 119.48 1iod n ASP 85 Ca 0.01 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 1iod n ASP 85 Cb 0.02 1.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1iod n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iod n GLY 86 N 1.48 1.18 3.76 6.12 0.00 -0.15 -5.09 105.19 112.49 1iod n GLY 86 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1iod n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iod s SER 87 N -0.47 5.65 0.73 1.61 1.04 -1.26 -4.65 113.70 116.35 1iod s SER 87 Ca 0.00 2.56 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 1iod s SER 87 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.53 1iod s SER 87 CO 0.00 -1.29 1.12 -0.94 0.98 0.00 0.00 173.24 173.11 1iod s SER 88 N -1.14 5.22 -0.60 7.02 1.04 -1.26 -1.05 113.70 122.93 1iod s SER 88 Ca 0.68 1.05 -0.24 0.00 0.48 0.00 0.00 55.95 57.92 1iod s SER 88 Cb -0.35 -1.78 0.05 0.00 0.10 0.00 0.00 66.02 64.04 1iod s SER 88 CO 0.42 -1.48 0.99 -0.63 0.98 0.00 0.00 173.24 173.52 1iod s ILE 89 N -3.41 4.30 -0.27 -1.02 1.01 -1.26 -4.81 121.20 115.74 1iod s ILE 89 Ca 0.59 0.15 -0.14 0.00 0.00 0.00 0.00 60.65 61.25 1iod s ILE 89 Cb -0.11 -4.62 -0.12 0.00 0.01 0.00 0.00 42.46 37.63 1iod s ILE 89 CO 0.51 -1.28 -0.35 -1.54 0.00 0.00 0.00 174.94 172.28 1iod n SER 90 N 7.73 1.93 -4.84 3.58 3.41 -1.26 -4.98 113.62 119.20 1iod n SER 90 Ca 0.01 0.33 -0.35 0.00 -0.26 0.00 0.00 58.87 58.60 1iod n SER 90 Cb 0.47 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1iod n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1iod s TYR 91 N -2.51 3.61 -0.05 7.33 5.04 -1.26 -5.09 117.35 124.42 1iod s TYR 91 Ca -0.38 1.15 -0.10 0.00 -2.44 0.00 0.00 57.07 55.30 1iod s TYR 91 Cb 0.14 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 40.03 1iod s TYR 91 CO 0.48 0.39 0.24 -1.21 -1.34 0.00 0.00 175.55 174.11 1iod s GLU 92 N -2.00 0.46 -0.32 4.97 2.02 -1.26 -5.07 118.70 117.50 1iod s GLU 92 Ca 0.40 -0.00 0.17 0.00 0.02 0.00 0.00 54.97 55.56 1iod s GLU 92 Cb -0.15 0.21 0.46 0.00 0.10 0.00 0.00 34.13 34.74 1iod s GLU 92 CO 0.20 -0.10 1.20 -1.71 0.02 0.00 0.00 175.26 174.87 1iod n ASN 93 N 2.06 0.31 -4.77 -0.19 5.15 -1.26 -5.12 115.26 111.44 1iod n ASN 93 Ca -0.18 -2.32 -0.40 0.00 -0.60 0.00 0.00 54.58 51.08 1iod n ASN 93 Cb 0.57 0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.80 1iod n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1iod s TRP 94 N -2.12 3.17 -0.06 1.20 0.52 -1.26 -5.00 118.94 115.39 1iod s TRP 94 Ca 0.22 1.51 -0.27 0.00 0.02 0.00 0.00 56.10 57.59 1iod s TRP 94 Cb 0.40 -3.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.17 1iod s TRP 94 CO -0.05 -1.44 0.84 0.42 0.02 0.00 0.00 176.95 176.75 1iod s ILE 95 N -1.21 4.94 0.30 2.03 1.01 -1.26 -4.92 121.20 122.09 1iod s ILE 95 Ca 0.50 1.74 0.06 0.00 0.00 0.00 0.00 60.65 62.95 1iod s ILE 95 Cb -0.36 -4.18 0.29 0.00 0.01 0.00 0.00 42.46 38.23 1iod s ILE 95 CO 0.47 0.16 1.73 -0.33 0.00 0.00 0.00 174.94 176.97 1iod h GLU 96 N 6.89 0.53 0.00 2.79 4.39 -1.98 0.14 114.58 127.34 1iod h GLU 96 Ca -0.38 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1iod h GLU 96 Cb 1.19 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1iod h GLU 96 CO 0.77 0.35 0.00 0.39 -1.16 0.00 0.00 179.01 179.37 1iod n GLU 97 N -4.92 0.35 0.00 2.33 4.71 -1.26 -2.55 120.64 119.30 1iod n GLU 97 Ca 0.24 0.08 0.13 0.00 -0.01 0.00 0.00 57.16 57.60 1iod n GLU 97 Cb 0.66 -1.50 0.41 0.00 -1.01 0.00 0.00 31.44 30.00 1iod n GLU 97 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1iod n GLU 98 N -1.25 1.60 -3.18 3.49 -0.58 0.04 -4.64 120.64 116.12 1iod n GLU 98 Ca 0.11 -1.03 -0.43 0.00 -0.42 0.00 0.00 57.16 55.39 1iod n GLU 98 Cb 0.15 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 1iod n GLU 98 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1iod s SER 99 N -2.11 6.28 -0.86 1.62 0.15 -1.06 -4.98 113.70 112.74 1iod s SER 99 Ca 0.33 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.54 1iod s SER 99 Cb 0.20 -2.29 0.22 0.00 -1.71 0.00 0.00 66.02 62.44 1iod s SER 99 CO 0.37 -0.70 0.76 0.29 1.20 0.00 0.00 173.24 175.16 1iod n LYS 100 N 6.02 2.55 -0.24 5.44 5.02 -1.26 -4.18 118.16 131.50 1iod n LYS 100 Ca -0.04 -4.49 0.12 0.00 -2.02 0.00 0.00 58.31 51.88 1iod n LYS 100 Cb 0.48 -2.39 0.25 0.00 -0.02 0.00 0.00 35.03 33.35 1iod n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iod n LYS 101 N 2.14 2.54 -5.27 1.97 5.02 -1.20 -4.19 118.16 119.17 1iod n LYS 101 Ca 0.22 -2.35 -0.31 0.00 -2.02 0.00 0.00 58.31 53.85 1iod n LYS 101 Cb 0.37 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.69 1iod n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iod s LEU 103 N -0.56 4.06 0.20 0.00 1.43 -0.71 -0.39 118.68 122.71 1iod s LEU 103 Ca 0.08 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 1iod s LEU 103 Cb -0.11 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.44 1iod s LEU 103 CO -0.00 0.16 0.46 -0.83 0.23 0.00 0.00 176.35 176.36 1iod s GLY 104 N -2.55 0.16 0.12 -3.19 0.00 -0.56 -2.11 107.32 99.18 1iod s GLY 104 Ca 0.32 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.62 1iod s GLY 104 CO 0.25 -0.46 -0.15 -1.34 0.00 0.00 0.00 173.10 171.39 1iod s VAL 105 N -3.92 3.03 0.16 1.40 -7.23 -0.35 -0.75 120.40 112.74 1iod s VAL 105 Ca 0.13 -1.44 0.09 0.00 -1.81 0.00 0.00 61.98 58.96 1iod s VAL 105 Cb -0.00 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1iod s VAL 105 CO 0.00 0.09 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.41 1iod s HIS 106 N -1.19 1.90 0.57 2.82 5.04 -1.26 -1.03 115.29 122.13 1iod s HIS 106 Ca 0.19 -0.45 0.26 0.00 -1.54 0.00 0.00 55.06 53.53 1iod s HIS 106 Cb -0.11 -0.95 1.66 0.00 0.04 0.00 0.00 32.58 33.23 1iod s HIS 106 CO 0.11 0.35 2.21 0.97 -2.34 0.00 0.00 174.74 176.04 1iod h ILE 107 N 3.31 0.64 0.00 0.89 2.10 -1.84 0.50 117.51 123.12 1iod h ILE 107 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1iod h ILE 107 Cb 1.20 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 1iod h ILE 107 CO 0.49 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.94 1iod n GLU 108 N -4.03 0.01 -0.06 2.19 -0.58 -1.26 -1.39 120.64 115.53 1iod n GLU 108 Ca -0.02 0.21 0.02 0.00 -0.42 0.00 0.00 57.16 56.95 1iod n GLU 108 Cb 0.12 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.54 1iod n GLU 108 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1iod n THR 109 N -1.49 1.06 -1.75 2.62 -2.24 -0.91 -4.94 114.28 106.63 1iod n THR 109 Ca 0.04 -1.07 -0.09 0.00 -2.27 0.00 0.00 64.05 60.66 1iod n THR 109 Cb 0.19 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1iod n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iod n GLY 110 N -0.27 0.50 2.88 3.38 0.00 -0.48 -2.78 105.19 108.41 1iod n GLY 110 Ca 0.04 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 1iod n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iod n PHE 111 N -3.42 -1.79 -0.05 1.61 3.72 0.12 -4.72 117.46 112.93 1iod n PHE 111 Ca -0.10 0.54 -0.11 0.00 -0.05 0.00 0.00 57.45 57.73 1iod n PHE 111 Cb 0.45 -3.92 -0.04 0.00 -0.94 0.00 0.00 39.48 35.03 1iod n PHE 111 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1iod n HIS 112 N -4.33 0.00 -2.10 1.38 8.25 -1.12 -4.47 115.22 112.84 1iod n HIS 112 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 1iod n HIS 112 Cb 0.58 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1iod n HIS 112 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1iod s LYS 113 N -2.44 4.29 -0.34 -0.41 -0.14 -1.26 -4.97 119.74 114.47 1iod s LYS 113 Ca -0.20 2.16 -0.29 0.00 -1.36 0.00 0.00 55.97 56.28 1iod s LYS 113 Cb 0.05 -3.22 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1iod s LYS 113 CO 0.27 -0.49 1.15 -1.58 -0.76 0.00 0.00 175.35 173.94 1iod s TRP 114 N 1.14 2.96 0.12 3.18 0.51 -1.26 -4.41 118.94 121.18 1iod s TRP 114 Ca 0.66 1.03 0.06 0.00 -2.12 0.00 0.00 56.10 55.73 1iod s TRP 114 Cb -0.39 -3.86 -0.04 0.00 -0.81 0.00 0.00 33.47 28.37 1iod s TRP 114 CO 0.30 -1.12 0.00 -1.21 -0.51 0.00 0.00 176.95 174.41 1iod s GLU 115 N 3.92 2.50 -0.16 4.98 2.02 0.07 -4.91 118.70 127.12 1iod s GLU 115 Ca 0.49 -0.93 -0.23 0.00 0.02 0.00 0.00 54.97 54.32 1iod s GLU 115 Cb -0.13 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 1iod s GLU 115 CO 0.20 0.51 0.70 -0.80 0.02 0.00 0.00 175.26 175.89 1iod s ASN 116 N -2.55 6.84 0.07 -0.19 -0.87 -1.26 -1.50 114.94 115.47 1iod s ASN 116 Ca 0.26 1.02 0.03 0.00 -1.57 0.00 0.00 52.86 52.60 1iod s ASN 116 Cb -0.11 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.70 1iod s ASN 116 CO 0.18 -0.26 -0.09 -0.36 -2.57 0.00 0.00 177.10 173.99 1iod s PHE 117 N 1.68 0.92 0.14 2.20 0.08 0.48 -4.92 117.98 118.56 1iod s PHE 117 Ca 0.34 -0.59 -0.31 0.00 0.12 0.00 0.00 56.93 56.48 1iod s PHE 117 Cb -0.16 -0.52 -0.10 0.00 -0.57 0.00 0.00 43.02 41.67 1iod s PHE 117 CO 0.13 -0.04 1.62 -0.47 -0.10 0.00 0.00 175.22 176.35 1iod s TYR 118 N -1.98 2.83 0.52 0.36 5.04 -1.26 -2.35 117.35 120.51 1iod s TYR 118 Ca -0.01 0.48 0.22 0.00 -2.44 0.00 0.00 57.07 55.32 1iod s TYR 118 Cb -0.06 -3.97 1.44 0.00 0.35 0.00 0.00 41.96 39.73 1iod s TYR 118 CO -0.00 -3.69 2.15 0.00 -1.34 0.00 0.00 175.55 172.67 1iod n GLU 120 N -4.15 2.22 -2.67 0.00 -0.58 -1.26 -2.20 120.64 112.00 1iod n GLU 120 Ca -0.03 -1.11 -0.27 0.00 -0.42 0.00 0.00 57.16 55.33 1iod n GLU 120 Cb 0.13 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1iod n GLU 120 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1iod s GLN 121 N -1.65 3.54 -0.22 3.49 -0.21 -1.17 -4.85 119.66 118.59 1iod s GLN 121 Ca 0.20 0.18 -0.05 0.00 0.02 0.00 0.00 55.36 55.71 1iod s GLN 121 Cb 0.14 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.74 1iod s GLN 121 CO 0.08 -0.19 -0.01 -0.65 -2.12 0.00 0.00 175.29 172.40 1iod s GLN 122 N -4.71 3.51 0.19 2.91 -0.21 -1.26 -3.49 119.66 116.60 1iod s GLN 122 Ca 0.47 -0.57 -0.09 0.00 0.02 0.00 0.00 55.36 55.20 1iod s GLN 122 Cb -0.10 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.81 1iod s GLN 122 CO 0.44 -0.12 0.31 -0.51 -2.12 0.00 0.00 175.29 173.30 1iod s ASP 123 N 1.32 0.02 1.10 5.90 1.11 -0.35 -4.58 116.67 121.20 1iod s ASP 123 Ca 0.04 -0.98 -0.13 0.00 0.18 0.00 0.00 52.55 51.66 1iod s ASP 123 Cb -0.15 0.47 0.25 0.00 1.07 0.00 0.00 42.92 44.56 1iod s ASP 123 CO -0.00 -0.95 1.05 -2.84 1.18 0.00 0.00 175.17 173.61 1iod s PRO 124 N -4.02 -0.38 0.30 8.23 0.02 -1.23 -1.53 135.00 136.40 1iod s PRO 124 Ca 0.23 0.72 -0.14 0.00 0.02 0.00 0.00 61.00 61.83 1iod s PRO 124 Cb 0.03 -1.63 0.02 0.00 0.02 0.00 0.00 34.50 32.94 1iod s PRO 124 CO 0.05 -3.33 0.61 -0.59 -0.33 0.00 0.00 177.00 173.41 1iod s PHE 125 N -2.66 0.27 -0.06 6.54 -0.71 -0.98 -0.97 117.98 119.41 1iod s PHE 125 Ca 0.67 -0.71 0.01 0.00 -1.04 0.00 0.00 56.93 55.86 1iod s PHE 125 Cb -0.22 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1iod s PHE 125 CO 0.62 -1.21 -0.08 0.08 -1.34 0.00 0.00 175.22 173.29 1iod s VAL 126 N -3.45 0.79 0.06 -2.49 1.01 -1.22 -0.74 120.40 114.37 1iod s VAL 126 Ca 0.19 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1iod s VAL 126 Cb -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1iod s VAL 126 CO 0.11 0.28 0.13 0.00 0.00 0.00 0.00 175.10 175.62 1iod s GLU 128 N -2.38 0.33 0.00 0.00 2.12 0.26 -1.89 118.70 117.14 1iod s GLU 128 Ca 0.31 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1iod s GLU 128 Cb -0.12 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.10 1iod s GLU 128 CO 0.24 0.03 0.00 0.00 -0.54 0.00 0.00 175.26 174.99