#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i h ALA 4 N 0.00 1.00 -0.04 6.98 0.00 -1.99 -0.99 119.26 124.22 3i8i h ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i8i h ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i8i h ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3i8i n TYR 5 N -2.40 0.02 0.57 0.00 4.02 -1.26 -3.58 117.16 114.53 3i8i n TYR 5 Ca 0.03 -0.01 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 3i8i n TYR 5 Cb 0.28 -0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.79 3i8i n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i8i n ASP 6 N 1.28 0.71 -0.11 7.72 8.00 -0.38 -4.12 116.55 129.65 3i8i n ASP 6 Ca 0.13 0.15 -0.21 0.00 0.71 0.00 0.00 54.79 55.58 3i8i n ASP 6 Cb 0.57 0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 3i8i n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3i8i n VAL 7 N -2.13 1.52 -2.54 2.53 0.31 -1.20 -4.59 118.33 112.23 3i8i n VAL 7 Ca 0.03 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 3i8i n VAL 7 Cb 0.44 -2.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 3i8i n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i8i s ILE 8 N -2.38 4.43 -0.25 2.52 1.09 -1.24 -1.43 121.20 123.94 3i8i s ILE 8 Ca -0.29 1.70 -0.01 0.00 -1.10 0.00 0.00 60.65 60.96 3i8i s ILE 8 Cb 0.07 -4.21 -0.17 0.00 -1.06 0.00 0.00 42.46 37.09 3i8i s ILE 8 CO 0.53 -0.27 -0.21 0.18 -0.10 0.00 0.00 174.94 175.07 3i8i n LEU 9 N 6.73 2.82 -3.67 2.97 4.77 0.08 -4.83 117.00 125.88 3i8i n LEU 9 Ca 0.13 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 3i8i n LEU 9 Cb 0.46 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 3i8i n LEU 9 CO 0.56 0.88 0.86 0.00 -1.33 0.00 0.00 177.39 178.37 3i8i s ALA 10 N -2.52 -1.91 0.05 -1.18 0.00 -1.03 -4.96 121.76 110.20 3i8i s ALA 10 Ca -0.35 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 3i8i s ALA 10 Cb 0.10 0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 3i8i s ALA 10 CO 0.60 -0.98 0.69 -2.14 0.00 0.00 0.00 175.76 173.92 3i8i s PRO 11 N -2.89 4.42 -0.18 0.00 0.02 -1.26 0.53 135.00 135.63 3i8i s PRO 11 Ca 0.12 0.93 -0.29 0.00 0.02 0.00 0.00 61.00 61.78 3i8i s PRO 11 Cb 0.01 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3i8i s PRO 11 CO -0.02 0.38 1.04 0.54 -0.33 0.00 0.00 177.00 178.62 3i8i s VAL 12 N -0.35 4.69 -0.46 3.83 0.11 -0.46 -4.76 120.40 123.00 3i8i s VAL 12 Ca 0.35 2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 61.29 3i8i s VAL 12 Cb -0.20 -4.29 0.10 0.00 -1.53 0.00 0.00 36.38 30.46 3i8i s VAL 12 CO 0.21 -0.11 0.34 -0.76 -3.33 0.00 0.00 175.10 171.44 3i8i s LEU 13 N 2.79 5.54 0.01 2.54 1.43 -1.26 -4.66 118.68 125.07 3i8i s LEU 13 Ca 0.46 -1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 51.61 3i8i s LEU 13 Cb -0.17 -2.05 0.09 0.00 0.03 0.00 0.00 46.19 44.10 3i8i s LEU 13 CO 0.11 -0.65 0.78 -0.94 0.23 0.00 0.00 176.35 175.88 3i8i s SER 14 N 2.56 -0.48 0.15 2.29 1.04 -1.26 -4.95 113.70 113.06 3i8i s SER 14 Ca 0.04 0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.42 3i8i s SER 14 Cb -0.25 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.35 3i8i s SER 14 CO 0.02 -0.67 1.60 -0.33 0.98 0.00 0.00 173.24 174.83 3i8i h GLU 15 N 2.27 -0.30 -0.78 4.02 3.07 -1.98 0.96 114.58 121.83 3i8i h GLU 15 Ca -0.26 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3i8i h GLU 15 Cb 1.23 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 3i8i h GLU 15 CO 0.34 -0.20 0.51 -0.22 -1.40 0.00 0.00 179.01 178.04 3i8i h LYS 16 N -0.32 0.67 0.75 2.33 3.64 -1.99 0.33 116.57 121.99 3i8i h LYS 16 Ca 0.14 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3i8i h LYS 16 Cb 0.54 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3i8i h LYS 16 CO -0.46 0.45 -0.36 0.00 -2.27 0.00 0.00 179.45 176.80 3i8i h ALA 17 N 1.61 -1.01 -0.48 5.00 0.00 0.28 -3.24 119.26 121.42 3i8i h ALA 17 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i8i h ALA 17 Cb 0.48 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3i8i h ALA 17 CO -0.14 -0.94 0.32 1.88 0.00 0.00 0.00 179.25 180.37 3i8i h TYR 18 N -1.26 0.61 -1.14 0.00 0.05 0.62 -2.64 116.97 113.21 3i8i h TYR 18 Ca -0.10 0.01 0.43 0.00 0.05 0.00 0.00 58.73 59.12 3i8i h TYR 18 Cb 0.78 -0.21 -0.15 0.00 1.01 0.00 0.00 36.73 38.16 3i8i h TYR 18 CO 0.00 0.40 0.69 0.00 -1.05 0.00 0.00 178.16 178.19 3i8i n ALA 19 N -2.23 1.15 1.08 3.88 0.00 0.11 0.11 120.51 124.60 3i8i n ALA 19 Ca 0.02 0.90 0.12 0.00 0.00 0.00 0.00 53.44 54.48 3i8i n ALA 19 Cb 0.03 -0.99 0.59 0.00 0.00 0.00 0.00 19.45 19.07 3i8i n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 20 N -1.38 -1.14 0.30 0.00 0.00 -0.99 -3.73 105.19 98.25 3i8i n GLY 20 Ca 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 3i8i n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i8i h PHE 21 N 0.00 0.71 -0.46 1.61 0.05 0.75 -2.52 116.94 117.08 3i8i h PHE 21 Ca 0.00 -0.05 0.08 0.00 3.82 0.00 0.00 57.97 61.82 3i8i h PHE 21 Cb 0.27 -0.21 -0.10 0.00 2.00 0.00 0.00 35.95 37.91 3i8i h PHE 21 CO 0.00 0.60 -0.41 0.00 -0.18 0.00 0.00 178.31 178.32 3i8i h ALA 22 N 1.46 -0.34 -2.44 2.45 0.00 -1.75 -3.37 119.26 115.27 3i8i h ALA 22 Ca 0.16 0.09 -0.50 0.00 0.00 0.00 0.00 54.91 54.66 3i8i h ALA 22 Cb 0.23 0.88 0.08 0.00 0.00 0.00 0.00 17.79 18.98 3i8i h ALA 22 CO -0.01 -0.82 0.40 -1.21 0.00 0.00 0.00 179.25 177.61 3i8i s GLU 23 N -5.88 2.83 0.39 0.00 2.02 -0.95 -4.92 118.70 112.19 3i8i s GLU 23 Ca -0.15 0.58 0.16 0.00 0.02 0.00 0.00 54.97 55.58 3i8i s GLU 23 Cb 0.13 -2.01 1.04 0.00 0.10 0.00 0.00 34.13 33.39 3i8i s GLU 23 CO 0.66 -1.08 1.81 0.78 0.02 0.00 0.00 175.26 177.45 3i8i h GLY 24 N -0.69 1.12 -6.50 -1.39 0.00 -1.74 -3.44 103.07 90.43 3i8i h GLY 24 Ca -0.45 -0.22 -0.78 0.00 0.00 0.00 0.00 47.33 45.88 3i8i h GLY 24 CO 0.62 -0.06 0.85 0.28 0.00 0.00 0.00 176.54 178.24 3i8i n LYS 25 N -4.58 0.00 -4.55 4.80 5.02 -1.23 -4.08 118.16 113.53 3i8i n LYS 25 Ca 0.22 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.27 3i8i n LYS 25 Cb 0.75 -1.39 -0.16 0.00 -0.02 0.00 0.00 35.03 34.20 3i8i n LYS 25 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3i8i s TYR 26 N 3.81 1.36 -0.09 2.13 1.51 -0.32 -3.38 117.35 122.36 3i8i s TYR 26 Ca 1.03 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 56.66 3i8i s TYR 26 Cb -1.39 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 3i8i s TYR 26 CO 0.71 -0.24 -0.20 -0.08 -1.11 0.00 0.00 175.55 174.63 3i8i s THR 27 N 0.57 2.46 0.36 -0.71 -1.32 -1.26 -1.67 115.64 114.07 3i8i s THR 27 Ca -0.12 -0.90 0.07 0.00 -1.21 0.00 0.00 61.69 59.53 3i8i s THR 27 Cb -0.14 -1.96 -0.07 0.00 -1.51 0.00 0.00 72.50 68.82 3i8i s THR 27 CO 0.03 0.56 -0.02 -0.36 -2.21 0.00 0.00 174.62 172.62 3i8i s PHE 28 N 0.01 2.30 -0.03 9.09 0.40 -0.45 -1.36 117.98 127.94 3i8i s PHE 28 Ca -0.07 -0.68 -0.17 0.00 -0.60 0.00 0.00 56.93 55.40 3i8i s PHE 28 Cb -0.15 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 3i8i s PHE 28 CO 0.05 0.38 0.48 -1.58 0.70 0.00 0.00 175.22 175.25 3i8i s TRP 29 N -2.84 3.66 0.29 0.36 0.23 0.19 -1.05 118.94 119.78 3i8i s TRP 29 Ca 0.34 1.02 0.02 0.00 -2.03 0.00 0.00 56.10 55.46 3i8i s TRP 29 Cb 0.07 -2.45 -0.05 0.00 0.03 0.00 0.00 33.47 31.06 3i8i s TRP 29 CO 0.16 0.43 0.09 0.14 0.96 0.00 0.00 176.95 178.74 3i8i s VAL 30 N -0.38 0.76 0.36 4.03 -7.23 -0.21 -0.74 120.40 116.98 3i8i s VAL 30 Ca 0.26 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.15 3i8i s VAL 30 Cb -0.17 -2.66 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 3i8i s VAL 30 CO 0.14 0.00 1.43 1.57 -0.31 0.00 0.00 175.10 177.93 3i8i n HIS 31 N -0.58 2.74 -0.26 2.82 -0.00 -0.51 -4.11 115.22 115.33 3i8i n HIS 31 Ca -0.01 0.46 -0.07 0.00 0.46 0.00 0.00 57.72 58.56 3i8i n HIS 31 Cb 0.66 -2.50 0.05 0.00 -0.12 0.00 0.00 29.99 28.08 3i8i n HIS 31 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3i8i h PRO 32 N 2.99 1.14 0.00 1.57 0.11 -1.91 -2.27 132.00 133.63 3i8i h PRO 32 Ca -0.49 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.35 3i8i h PRO 32 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i8i h PRO 32 CO 0.65 1.00 0.00 1.63 -0.21 0.00 0.00 178.00 181.07 3i8i n LYS 33 N -4.24 0.88 -2.31 1.05 5.02 -1.26 -4.82 118.16 112.48 3i8i n LYS 33 Ca 0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 3i8i n LYS 33 Cb 0.26 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 3i8i n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8i s ALA 34 N -2.00 2.83 0.36 7.82 0.00 -0.86 -5.06 121.76 124.85 3i8i s ALA 34 Ca 0.29 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.81 3i8i s ALA 34 Cb 0.13 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 3i8i s ALA 34 CO 0.22 -0.52 -0.00 -0.08 0.00 0.00 0.00 175.76 175.38 3i8i s THR 35 N -2.25 2.41 0.07 0.00 -1.32 -1.26 -4.99 115.64 108.29 3i8i s THR 35 Ca 0.65 -2.01 -0.21 0.00 -1.21 0.00 0.00 61.69 58.90 3i8i s THR 35 Cb -0.16 -2.80 -0.09 0.00 -1.51 0.00 0.00 72.50 67.95 3i8i s THR 35 CO 0.28 -0.15 1.34 0.11 -2.21 0.00 0.00 174.62 173.99 3i8i h LYS 36 N 1.83 -0.41 -0.86 7.08 1.57 -1.97 0.59 116.57 124.39 3i8i h LYS 36 Ca -0.43 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.55 3i8i h LYS 36 Cb 1.25 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 33.55 3i8i h LYS 36 CO 0.70 -0.27 0.42 1.15 -0.57 0.00 0.00 179.45 180.88 3i8i h THR 37 N -0.42 0.66 0.00 -0.16 2.02 -1.97 0.52 112.91 113.56 3i8i h THR 37 Ca 0.00 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 3i8i h THR 37 Cb 0.45 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3i8i h THR 37 CO -0.21 0.10 -0.68 1.05 0.37 0.00 0.00 175.52 176.15 3i8i h GLU 38 N 0.57 0.00 -0.12 6.66 4.11 -1.90 -3.04 114.58 120.85 3i8i h GLU 38 Ca 0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.89 3i8i h GLU 38 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3i8i h GLU 38 CO -0.40 0.68 -0.01 0.82 0.07 0.00 0.00 179.01 180.16 3i8i h ILE 39 N 0.00 1.27 0.00 -1.06 2.04 0.40 0.48 117.51 120.65 3i8i h ILE 39 Ca -0.01 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3i8i h ILE 39 Cb 1.30 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3i8i h ILE 39 CO 0.09 0.26 0.00 1.17 0.00 0.00 0.00 178.15 179.66 3i8i n LYS 40 N -4.77 0.00 -0.29 2.37 4.81 0.14 -0.33 118.16 120.10 3i8i n LYS 40 Ca -0.06 0.76 0.02 0.00 -0.87 0.00 0.00 58.31 58.16 3i8i n LYS 40 Cb 0.22 -1.43 0.10 0.00 0.02 0.00 0.00 35.03 33.94 3i8i n LYS 40 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3i8i h ASN 41 N 0.00 -0.80 -0.88 3.14 -0.26 -1.52 0.15 115.58 115.42 3i8i h ASN 41 Ca 0.00 0.25 0.12 0.00 -0.56 0.00 0.00 56.30 56.11 3i8i h ASN 41 Cb 0.00 0.52 -0.08 0.00 -1.06 0.00 0.00 38.32 37.69 3i8i h ASN 41 CO 0.00 -0.27 0.50 0.00 -1.06 0.00 0.00 177.43 176.59 3i8i h ALA 42 N 1.77 1.30 -0.01 -0.83 0.00 -0.02 -1.35 119.26 120.12 3i8i h ALA 42 Ca 0.38 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 3i8i h ALA 42 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i8i h ALA 42 CO -0.84 0.04 -0.27 -0.24 0.00 0.00 0.00 179.25 177.95 3i8i h VAL 43 N 0.76 1.51 0.00 0.00 3.04 0.20 -2.80 116.25 118.97 3i8i h VAL 43 Ca 0.45 -1.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 3i8i h VAL 43 Cb 0.52 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.46 3i8i h VAL 43 CO -0.30 0.52 0.00 1.05 -1.01 0.00 0.00 177.57 177.83 3i8i h GLU 44 N -0.42 0.00 -0.01 4.17 4.11 -0.80 0.32 114.58 121.96 3i8i h GLU 44 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3i8i h GLU 44 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3i8i h GLU 44 CO 0.05 0.00 -0.59 0.25 0.07 0.00 0.00 179.01 178.79 3i8i n THR 45 N -2.70 0.00 -0.10 -1.06 -2.24 -0.54 -1.61 114.28 106.02 3i8i n THR 45 Ca -0.01 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3i8i n THR 45 Cb 0.16 0.74 -0.14 0.00 -2.10 0.00 0.00 70.33 68.99 3i8i n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8i n ALA 46 N -0.96 1.45 -0.69 6.98 0.00 -0.14 -4.59 120.51 122.56 3i8i n ALA 46 Ca 0.07 -1.19 0.06 0.00 0.00 0.00 0.00 53.44 52.39 3i8i n ALA 46 Cb 0.37 -0.20 0.10 0.00 0.00 0.00 0.00 19.45 19.71 3i8i n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8i n PHE 47 N -2.99 0.05 -3.75 0.00 3.01 0.93 -5.03 117.46 109.69 3i8i n PHE 47 Ca -0.37 -0.81 -0.26 0.00 1.01 0.00 0.00 57.45 57.02 3i8i n PHE 47 Cb 1.08 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 3i8i n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i8i n LYS 48 N -1.04 -1.27 -3.86 -1.08 4.76 -0.64 -4.93 118.16 110.11 3i8i n LYS 48 Ca 0.11 0.59 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 3i8i n LYS 48 Cb 0.52 -2.04 -0.07 0.00 -1.84 0.00 0.00 35.03 31.60 3i8i n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i8i s VAL 49 N -3.01 0.13 -0.27 -0.18 1.01 -1.21 -5.01 120.40 111.86 3i8i s VAL 49 Ca 0.06 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 3i8i s VAL 49 Cb -0.03 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3i8i s VAL 49 CO 0.83 -0.57 0.17 -0.75 0.00 0.00 0.00 175.10 174.78 3i8i s LYS 50 N -3.88 3.93 -0.16 2.72 2.47 -1.26 -4.41 119.74 119.15 3i8i s LYS 50 Ca 0.07 -0.33 -0.15 0.00 -1.56 0.00 0.00 55.97 54.00 3i8i s LYS 50 Cb 0.04 -3.61 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 3i8i s LYS 50 CO -0.09 -0.16 0.33 0.08 0.16 0.00 0.00 175.35 175.67 3i8i s VAL 51 N 1.67 5.28 -0.31 4.02 1.01 -1.26 -0.63 120.40 130.18 3i8i s VAL 51 Ca 0.07 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.72 3i8i s VAL 51 Cb -0.16 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3i8i s VAL 51 CO 0.10 0.37 0.32 0.52 0.00 0.00 0.00 175.10 176.40 3i8i n VAL 52 N 3.65 0.00 -3.58 2.92 0.31 -0.57 -4.90 118.33 116.16 3i8i n VAL 52 Ca -0.11 -0.43 -0.15 0.00 -0.01 0.00 0.00 64.34 63.64 3i8i n VAL 52 Cb 0.52 1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 34.42 3i8i n VAL 52 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i8i s LYS 53 N -1.09 1.00 -0.24 5.55 1.02 -1.21 -5.00 119.74 119.78 3i8i s LYS 53 Ca 0.03 -0.09 -0.03 0.00 0.02 0.00 0.00 55.97 55.89 3i8i s LYS 53 Cb 0.03 0.46 0.13 0.00 -0.52 0.00 0.00 37.83 37.94 3i8i s LYS 53 CO 0.14 -0.34 0.42 0.08 -0.92 0.00 0.00 175.35 174.72 3i8i s VAL 54 N -1.98 -0.67 -0.15 3.17 1.01 -1.26 -1.30 120.40 119.22 3i8i s VAL 54 Ca -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3i8i s VAL 54 Cb -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3i8i s VAL 54 CO 0.02 -0.08 0.01 0.20 0.00 0.00 0.00 175.10 175.26 3i8i s ASN 55 N 2.60 5.26 0.25 3.32 0.02 0.14 -4.94 114.94 121.59 3i8i s ASN 55 Ca 0.12 0.04 0.06 0.00 -1.02 0.00 0.00 52.86 52.05 3i8i s ASN 55 Cb -0.15 -1.78 -0.05 0.00 0.02 0.00 0.00 41.25 39.29 3i8i s ASN 55 CO -0.16 0.23 -0.07 0.42 0.02 0.00 0.00 177.10 177.55 3i8i s THR 56 N 0.00 1.53 -0.30 1.60 -4.23 -1.26 0.22 115.64 113.20 3i8i s THR 56 Ca 0.03 -2.12 -0.23 0.00 -1.18 0.00 0.00 61.69 58.19 3i8i s THR 56 Cb -0.13 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 71.58 3i8i s THR 56 CO 0.02 -0.38 1.41 -1.48 -0.54 0.00 0.00 174.62 173.65 3i8i s LEU 57 N -3.38 -0.05 0.55 4.79 -0.00 -0.45 -4.98 118.68 115.15 3i8i s LEU 57 Ca 0.27 0.10 -0.16 0.00 -0.00 0.00 0.00 54.13 54.34 3i8i s LEU 57 Cb 0.03 1.10 -0.06 0.00 -0.00 0.00 0.00 46.19 47.26 3i8i s LEU 57 CO 0.10 -0.02 1.02 -1.00 -0.00 0.00 0.00 176.35 176.45 3i8i s HIS 58 N 0.23 3.23 -0.32 3.48 3.76 -1.26 -0.78 115.29 123.63 3i8i s HIS 58 Ca 0.04 1.49 -0.01 0.00 -0.15 0.00 0.00 55.06 56.43 3i8i s HIS 58 Cb -0.04 -2.90 0.10 0.00 1.11 0.00 0.00 32.58 30.85 3i8i s HIS 58 CO -0.15 -0.72 0.11 0.08 -0.85 0.00 0.00 174.74 173.21 3i8i s VAL 59 N -2.54 0.87 0.06 -0.90 1.01 0.07 -4.86 120.40 114.11 3i8i s VAL 59 Ca 0.61 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3i8i s VAL 59 Cb -0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 3i8i s VAL 59 CO 0.34 -0.69 1.95 0.54 0.00 0.00 0.00 175.10 177.24 3i8i n ARG 60 N 4.79 2.88 -1.67 2.72 1.74 -1.26 -1.62 116.66 124.23 3i8i n ARG 60 Ca -0.01 1.05 -0.39 0.00 -0.77 0.00 0.00 57.85 57.73 3i8i n ARG 60 Cb 0.42 -3.00 0.04 0.00 -1.02 0.00 0.00 32.46 28.90 3i8i n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8i n GLY 61 N 4.49 0.22 3.80 -0.13 0.00 -1.23 -4.94 105.19 107.39 3i8i n GLY 61 Ca 0.20 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3i8i n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s LYS 62 N -2.66 3.33 -0.22 1.61 1.02 -1.26 -4.55 119.74 117.01 3i8i s LYS 62 Ca 0.71 1.27 -0.25 0.00 0.02 0.00 0.00 55.97 57.72 3i8i s LYS 62 Cb -0.45 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 3i8i s LYS 62 CO 0.50 -0.81 0.85 0.15 -0.92 0.00 0.00 175.35 175.12 3i8i s LYS 63 N -3.93 4.23 0.45 1.68 -0.14 -1.26 -2.02 119.74 118.75 3i8i s LYS 63 Ca 0.65 1.00 0.03 0.00 -1.36 0.00 0.00 55.97 56.29 3i8i s LYS 63 Cb -0.17 -3.62 -0.02 0.00 -1.68 0.00 0.00 37.83 32.34 3i8i s LYS 63 CO 0.35 -0.47 0.09 0.15 -0.76 0.00 0.00 175.35 174.71 3i8i s LYS 64 N 2.65 2.05 -0.28 1.68 -0.14 -0.73 -5.01 119.74 119.97 3i8i s LYS 64 Ca 0.37 -2.28 -0.19 0.00 -1.36 0.00 0.00 55.97 52.51 3i8i s LYS 64 Cb -0.16 -0.95 0.08 0.00 -1.68 0.00 0.00 37.83 35.13 3i8i s LYS 64 CO 0.09 -0.45 0.73 -0.98 -0.76 0.00 0.00 175.35 173.97 3i8i s ARG 65 N -3.76 0.71 -0.65 1.68 3.03 -1.26 -1.49 118.95 117.20 3i8i s ARG 65 Ca 0.16 1.11 0.03 0.00 2.03 0.00 0.00 55.73 59.06 3i8i s ARG 65 Cb 0.02 0.21 0.36 0.00 -1.03 0.00 0.00 34.95 34.51 3i8i s ARG 65 CO 0.10 -0.13 1.32 -0.11 -1.13 0.00 0.00 175.30 175.35 3i8i n LEU 66 N 3.80 5.52 -0.26 -1.89 0.00 -1.02 -5.00 117.00 118.16 3i8i n LEU 66 Ca -0.18 -5.35 0.00 0.00 0.00 0.00 0.00 56.01 50.47 3i8i n LEU 66 Cb 0.58 -0.71 0.00 0.00 0.00 0.00 0.00 43.42 43.29 3i8i n LEU 66 CO -0.00 2.18 -0.08 0.61 0.00 0.00 0.00 177.39 180.09 3i8i n GLY 67 N -0.34 -3.18 5.09 -3.96 0.00 -1.26 -4.60 105.19 96.95 3i8i n GLY 67 Ca 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3i8i n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 68 N -1.20 0.00 -2.38 1.61 1.74 -1.26 -4.57 116.66 110.60 3i8i n ARG 68 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3i8i n ARG 68 Cb 0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.44 3i8i n ARG 68 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i8i s TYR 69 N 0.00 2.87 -0.02 -1.55 2.02 -1.26 -5.03 117.35 114.38 3i8i s TYR 69 Ca 0.00 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.70 3i8i s TYR 69 Cb 0.00 -3.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.03 3i8i s TYR 69 CO 0.00 -1.84 -0.09 -0.48 -1.57 0.00 0.00 175.55 171.57 3i8i s LEU 70 N 3.08 1.79 0.00 -1.29 2.34 -1.26 -2.43 118.68 120.92 3i8i s LEU 70 Ca 0.57 -0.18 0.00 0.00 0.06 0.00 0.00 54.13 54.58 3i8i s LEU 70 Cb -0.24 -0.54 0.00 0.00 -0.56 0.00 0.00 46.19 44.85 3i8i s LEU 70 CO 0.19 0.06 0.00 0.61 -1.06 0.00 0.00 176.35 176.15 3i8i n GLY 71 N 3.28 5.19 3.16 -3.48 0.00 -0.56 -4.99 105.19 107.79 3i8i n GLY 71 Ca -0.18 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3i8i n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8i s LYS 72 N 3.87 0.80 0.69 1.61 2.20 -1.26 -1.78 119.74 125.87 3i8i s LYS 72 Ca 0.00 -1.13 -0.04 0.00 -0.36 0.00 0.00 55.97 54.44 3i8i s LYS 72 Cb 0.00 -0.43 0.08 0.00 -1.51 0.00 0.00 37.83 35.98 3i8i s LYS 72 CO 0.00 0.06 0.98 1.03 -0.36 0.00 0.00 175.35 177.05 3i8i s ARG 73 N -2.82 2.00 0.38 4.03 0.52 -0.86 -4.92 118.95 117.28 3i8i s ARG 73 Ca 0.04 -0.62 -0.26 0.00 -0.52 0.00 0.00 55.73 54.37 3i8i s ARG 73 Cb -0.02 -2.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 3i8i s ARG 73 CO -0.01 -1.27 1.19 -2.14 0.02 0.00 0.00 175.30 173.08 3i8i s PRO 74 N -5.16 4.15 0.21 3.54 0.02 -1.26 -4.29 135.00 132.20 3i8i s PRO 74 Ca 0.62 1.90 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 3i8i s PRO 74 Cb -0.09 -2.78 -0.08 0.00 0.02 0.00 0.00 34.50 31.57 3i8i s PRO 74 CO 0.44 -0.26 0.98 -0.51 -0.33 0.00 0.00 177.00 177.32 3i8i s ASP 75 N -1.00 7.53 0.00 2.53 1.01 -1.26 -3.55 116.67 121.93 3i8i s ASP 75 Ca 0.55 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.77 3i8i s ASP 75 Cb -0.32 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.00 3i8i s ASP 75 CO 0.41 0.03 0.00 0.54 0.21 0.00 0.00 175.17 176.36 3i8i n ARG 76 N 1.88 0.57 -3.67 8.23 1.74 -0.64 -4.89 116.66 119.88 3i8i n ARG 76 Ca -0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 3i8i n ARG 76 Cb 0.47 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.82 3i8i n ARG 76 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3i8i s LYS 77 N -2.00 0.48 0.04 5.56 2.20 -1.26 -0.75 119.74 124.01 3i8i s LYS 77 Ca 0.00 1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.53 3i8i s LYS 77 Cb 0.00 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 3i8i s LYS 77 CO 0.00 -0.18 0.36 0.15 -0.36 0.00 0.00 175.35 175.33 3i8i s LYS 78 N 1.84 3.74 -0.08 4.03 1.02 0.04 -1.05 119.74 129.28 3i8i s LYS 78 Ca -0.08 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.08 3i8i s LYS 78 Cb -0.08 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3i8i s LYS 78 CO -0.15 0.62 -0.08 0.00 -0.92 0.00 0.00 175.35 174.81 3i8i s ALA 79 N -1.29 1.15 -0.26 5.17 0.00 -0.21 -1.34 121.76 124.97 3i8i s ALA 79 Ca 0.29 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3i8i s ALA 79 Cb -0.14 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.33 3i8i s ALA 79 CO 0.16 -0.17 -0.09 -1.50 0.00 0.00 0.00 175.76 174.16 3i8i s ILE 80 N 1.23 2.47 -0.13 0.00 2.07 0.61 -1.34 121.20 126.10 3i8i s ILE 80 Ca -0.05 -1.37 -0.05 0.00 -1.41 0.00 0.00 60.65 57.78 3i8i s ILE 80 Cb -0.14 -2.35 -0.04 0.00 0.13 0.00 0.00 42.46 40.06 3i8i s ILE 80 CO -0.02 0.07 0.04 0.54 -1.91 0.00 0.00 174.94 173.66 3i8i s VAL 81 N 1.20 4.63 -0.13 4.00 0.11 -0.67 0.26 120.40 129.80 3i8i s VAL 81 Ca -0.05 -0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 58.73 3i8i s VAL 81 Cb -0.18 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 3i8i s VAL 81 CO -0.05 0.55 0.40 -1.58 -3.33 0.00 0.00 175.10 171.08 3i8i s GLN 82 N -0.37 4.28 -0.07 1.54 2.00 -0.42 -1.17 119.66 125.44 3i8i s GLN 82 Ca 0.08 0.30 -0.04 0.00 -2.00 0.00 0.00 55.36 53.71 3i8i s GLN 82 Cb -0.12 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.23 3i8i s GLN 82 CO 0.02 0.23 0.10 0.08 -0.50 0.00 0.00 175.29 175.22 3i8i s VAL 83 N 0.45 5.05 -0.19 1.34 1.01 -1.26 -1.51 120.40 125.29 3i8i s VAL 83 Ca 0.22 -0.08 -0.40 0.00 0.00 0.00 0.00 61.98 61.72 3i8i s VAL 83 Cb -0.14 -3.23 -0.17 0.00 0.00 0.00 0.00 36.38 32.84 3i8i s VAL 83 CO 0.08 0.52 1.53 0.00 0.00 0.00 0.00 175.10 177.23 3i8i n ALA 84 N 1.72 -1.01 -1.00 5.51 0.00 0.20 -4.62 120.51 121.30 3i8i n ALA 84 Ca -0.17 0.47 -0.39 0.00 0.00 0.00 0.00 53.44 53.34 3i8i n ALA 84 Cb 0.54 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 3i8i n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i8i n PRO 85 N 3.93 0.00 0.00 0.00 -0.04 -1.26 -0.97 135.00 136.66 3i8i n PRO 85 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3i8i n PRO 85 Cb 0.11 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3i8i n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8i n GLY 86 N 1.75 3.09 3.71 0.55 0.00 -1.26 -5.04 105.19 107.98 3i8i n GLY 86 Ca 0.16 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3i8i n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8i s GLN 87 N 0.00 0.09 -0.25 1.61 -0.21 -0.14 -5.09 119.66 115.68 3i8i s GLN 87 Ca 0.00 0.16 -0.28 0.00 0.02 0.00 0.00 55.36 55.25 3i8i s GLN 87 Cb 0.00 -1.73 0.16 0.00 1.00 0.00 0.00 33.01 32.44 3i8i s GLN 87 CO 0.00 -2.88 1.22 -1.59 -2.12 0.00 0.00 175.29 169.92 3i8i s LYS 88 N -5.29 0.28 -0.62 2.91 -2.85 -1.26 -4.87 119.74 108.04 3i8i s LYS 88 Ca 0.68 0.13 -0.26 0.00 -1.00 0.00 0.00 55.97 55.52 3i8i s LYS 88 Cb -0.13 0.13 0.04 0.00 -2.06 0.00 0.00 37.83 35.81 3i8i s LYS 88 CO 0.55 -0.07 1.10 0.42 0.10 0.00 0.00 175.35 177.45 3i8i s ILE 89 N -0.71 4.12 0.11 3.79 1.01 -1.26 -4.91 121.20 123.34 3i8i s ILE 89 Ca 0.05 0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.83 3i8i s ILE 89 Cb -0.02 -4.70 -0.10 0.00 0.01 0.00 0.00 42.46 37.65 3i8i s ILE 89 CO -0.06 -1.40 1.63 -0.33 0.00 0.00 0.00 174.94 174.79 3i8i h GLU 90 N 9.58 -0.50 0.00 2.79 4.39 -1.98 -2.72 114.58 126.14 3i8i h GLU 90 Ca -0.27 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3i8i h GLU 90 Cb 1.06 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3i8i h GLU 90 CO 1.17 -0.33 0.00 0.00 -1.16 0.00 0.00 179.01 178.69 3i8i n ALA 91 N -2.61 0.00 0.11 3.43 0.00 -1.26 0.53 120.51 120.71 3i8i n ALA 91 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.41 3i8i n ALA 91 Cb 0.30 0.28 0.25 0.00 0.00 0.00 0.00 19.45 20.27 3i8i n ALA 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8i n LEU 92 N -1.68 0.23 -0.20 0.00 4.77 -1.20 -3.34 117.00 115.58 3i8i n LEU 92 Ca 0.00 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3i8i n LEU 92 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3i8i n LEU 92 CO 0.00 -0.56 0.20 -0.62 -1.33 0.00 0.00 177.39 175.07 3i8i n GLU 93 N -1.81 0.50 0.00 3.23 -0.58 0.19 -5.10 120.64 117.07 3i8i n GLU 93 Ca -0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 3i8i n GLU 93 Cb 0.26 -1.10 0.03 0.00 -0.57 0.00 0.00 31.44 30.06 3i8i n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06