#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m s ILE 6 N 0.00 2.06 -0.18 5.15 1.01 0.60 -5.00 121.20 124.85 3i1m s ILE 6 Ca 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 60.65 58.07 3i1m s ILE 6 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3i1m s ILE 6 CO 0.00 -0.70 0.04 -0.60 0.00 0.00 0.00 174.94 173.68 3i1m s ARG 7 N 0.60 3.89 -0.22 2.79 3.52 -1.26 0.50 118.95 128.77 3i1m s ARG 7 Ca 0.13 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 3i1m s ARG 7 Cb -0.21 -3.15 0.06 0.00 -1.56 0.00 0.00 34.95 30.09 3i1m s ARG 7 CO -0.07 0.25 -0.05 0.42 -0.81 0.00 0.00 175.30 175.04 3i1m s ILE 8 N 0.41 1.41 -0.15 4.11 1.01 -1.19 -3.92 121.20 122.87 3i1m s ILE 8 Ca 0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 3i1m s ILE 8 Cb -0.13 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3i1m s ILE 8 CO 0.01 -0.06 0.76 -0.13 0.00 0.00 0.00 174.94 175.52 3i1m s ARG 9 N 1.46 4.31 -0.07 2.79 0.52 0.92 -3.98 118.95 124.90 3i1m s ARG 9 Ca -0.04 0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 56.07 3i1m s ARG 9 Cb -0.18 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 3i1m s ARG 9 CO -0.07 -0.23 -0.02 -0.51 0.02 0.00 0.00 175.30 174.49 3i1m s LEU 10 N 1.82 3.45 -0.05 2.53 1.02 -1.05 -1.11 118.68 125.29 3i1m s LEU 10 Ca 0.36 0.07 -0.13 0.00 0.02 0.00 0.00 54.13 54.46 3i1m s LEU 10 Cb -0.17 -1.80 0.02 0.00 0.02 0.00 0.00 46.19 44.26 3i1m s LEU 10 CO 0.13 0.36 0.30 -1.59 0.02 0.00 0.00 176.35 175.58 3i1m s LYS 11 N -0.95 0.55 0.08 1.70 -2.85 -0.31 -1.36 119.74 116.59 3i1m s LYS 11 Ca 0.14 0.03 -0.26 0.00 -1.00 0.00 0.00 55.97 54.88 3i1m s LYS 11 Cb -0.11 0.25 0.09 0.00 -2.06 0.00 0.00 37.83 36.00 3i1m s LYS 11 CO 0.03 -0.13 1.16 0.00 0.10 0.00 0.00 175.35 176.52 3i1m s ALA 12 N -0.78 -2.02 -0.89 0.59 0.00 -1.17 -0.79 121.76 116.69 3i1m s ALA 12 Ca -0.09 0.02 0.24 0.00 0.00 0.00 0.00 51.96 52.13 3i1m s ALA 12 Cb -0.04 0.73 0.30 0.00 0.00 0.00 0.00 23.12 24.10 3i1m s ALA 12 CO 0.03 -1.09 1.26 1.19 0.00 0.00 0.00 175.76 177.15 3i1m n PHE 13 N -0.72 0.10 -3.51 0.00 0.99 -1.26 -2.76 117.46 110.31 3i1m n PHE 13 Ca -0.02 0.03 -0.42 0.00 -0.00 0.00 0.00 57.45 57.04 3i1m n PHE 13 Cb 0.60 -0.29 -0.10 0.00 -1.00 0.00 0.00 39.48 38.69 3i1m n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3i1m s ASP 14 N -3.29 6.01 -0.03 4.37 -0.00 -1.26 -4.86 116.67 117.61 3i1m s ASP 14 Ca 0.09 -0.83 -0.26 0.00 -0.00 0.00 0.00 52.55 51.55 3i1m s ASP 14 Cb 0.16 -2.12 -0.20 0.00 -0.00 0.00 0.00 42.92 40.75 3i1m s ASP 14 CO 0.75 -0.39 1.24 1.12 -0.00 0.00 0.00 175.17 177.89 3i1m h HIS 15 N 8.56 0.01 0.00 4.23 2.07 -1.96 -0.64 115.15 127.42 3i1m h HIS 15 Ca -0.28 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 3i1m h HIS 15 Cb 1.12 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 3i1m h HIS 15 CO 0.58 0.52 0.00 2.89 -3.07 0.00 0.00 177.93 178.85 3i1m n ARG 16 N -4.83 0.84 -0.02 5.12 1.85 -1.26 -2.49 116.66 115.86 3i1m n ARG 16 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.75 3i1m n ARG 16 Cb 0.26 -1.13 -0.03 0.00 -1.05 0.00 0.00 32.46 30.51 3i1m n ARG 16 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3i1m n LEU 17 N -0.31 0.35 0.03 2.89 0.00 -1.06 -4.53 117.00 114.37 3i1m n LEU 17 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 3i1m n LEU 17 Cb 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 43.42 43.46 3i1m n LEU 17 CO 0.00 0.15 0.46 -0.29 0.00 0.00 0.00 177.39 177.71 3i1m h ILE 18 N 0.00 1.07 0.00 1.96 2.10 -0.80 -2.14 117.51 119.69 3i1m h ILE 18 Ca -0.10 -1.23 -0.01 0.00 1.08 0.00 0.00 64.86 64.60 3i1m h ILE 18 Cb 1.22 1.78 -0.00 0.00 -1.09 0.00 0.00 36.82 38.73 3i1m h ILE 18 CO 0.00 0.27 -0.06 -2.24 -1.08 0.00 0.00 178.15 175.04 3i1m h ASP 19 N -0.78 0.00 0.11 2.19 3.04 -1.80 1.15 116.42 120.34 3i1m h ASP 19 Ca -0.02 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 3i1m h ASP 19 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 3i1m h ASP 19 CO 0.02 0.06 -0.05 1.56 -2.04 0.00 0.00 179.24 178.79 3i1m h GLN 20 N 0.00 -0.14 0.00 4.15 1.08 -1.79 -0.50 115.11 117.90 3i1m h GLN 20 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i1m h GLN 20 Cb 0.22 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3i1m h GLN 20 CO 0.01 -0.10 0.13 0.00 -0.95 0.00 0.00 178.83 177.93 3i1m n ALA 21 N -2.13 0.84 -0.00 3.87 0.00 -0.81 0.18 120.51 122.46 3i1m n ALA 21 Ca -0.02 0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 3i1m n ALA 21 Cb 0.06 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 3i1m n ALA 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i1m h THR 22 N 0.00 1.47 0.00 0.00 2.02 0.14 -3.30 112.91 113.24 3i1m h THR 22 Ca 0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 3i1m h THR 22 Cb 0.27 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3i1m h THR 22 CO 0.00 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.49 3i1m h ALA 23 N 0.29 1.00 -0.91 6.16 0.00 0.14 -0.34 119.26 125.60 3i1m h ALA 23 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3i1m h ALA 23 Cb 1.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3i1m h ALA 23 CO 0.10 0.00 0.58 0.93 0.00 0.00 0.00 179.25 180.86 3i1m h GLU 24 N 0.00 1.05 0.12 0.00 5.08 -1.35 -2.10 114.58 117.38 3i1m h GLU 24 Ca 0.00 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 3i1m h GLU 24 Cb 0.55 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.58 3i1m h GLU 24 CO 0.00 0.69 -0.75 0.82 -1.00 0.00 0.00 179.01 178.77 3i1m h ILE 25 N 1.08 1.52 -0.08 3.13 2.04 -1.19 -1.88 117.51 122.13 3i1m h ILE 25 Ca 0.38 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3i1m h ILE 25 Cb 0.11 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 3i1m h ILE 25 CO -0.15 0.70 0.04 0.58 0.00 0.00 0.00 178.15 179.31 3i1m h VAL 26 N -0.37 1.00 -0.13 1.67 2.07 -1.34 0.23 116.25 119.38 3i1m h VAL 26 Ca -0.13 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 3i1m h VAL 26 Cb 1.58 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3i1m h VAL 26 CO 0.14 0.01 -0.51 -0.08 0.02 0.00 0.00 177.57 177.16 3i1m h GLU 27 N 0.08 0.35 0.00 1.57 4.81 -1.50 0.44 114.58 120.33 3i1m h GLU 27 Ca 0.03 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3i1m h GLU 27 Cb 0.00 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3i1m h GLU 27 CO -0.02 0.78 -0.14 1.15 -0.73 0.00 0.00 179.01 180.05 3i1m h THR 28 N 0.28 0.76 0.05 0.32 2.02 -1.06 -2.55 112.91 112.73 3i1m h THR 28 Ca 0.01 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 3i1m h THR 28 Cb 0.99 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3i1m h THR 28 CO 0.09 0.14 -0.02 0.00 0.37 0.00 0.00 175.52 176.09 3i1m h ALA 29 N 1.86 -0.08 0.00 6.16 0.00 0.34 -3.30 119.26 124.24 3i1m h ALA 29 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1m h ALA 29 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i1m h ALA 29 CO 0.02 -0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.56 3i1m n LYS 30 N -4.33 0.66 0.03 0.00 2.85 0.15 -0.34 118.16 117.18 3i1m n LYS 30 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3i1m n LYS 30 Cb 0.03 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 3i1m n LYS 30 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3i1m n ARG 31 N 1.38 0.00 -0.03 -1.58 0.63 -0.97 -4.93 116.66 111.15 3i1m n ARG 31 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3i1m n ARG 31 Cb 0.33 -0.15 -0.02 0.00 0.45 0.00 0.00 32.46 33.07 3i1m n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1m h THR 32 N 0.00 0.22 0.00 5.15 1.03 -1.61 -3.47 112.91 114.24 3i1m h THR 32 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 3i1m h THR 32 Cb 0.00 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 3i1m h THR 32 CO 0.00 0.07 0.00 0.61 -0.01 0.00 0.00 175.52 176.19 3i1m n GLY 33 N 1.63 -1.76 0.00 2.99 0.00 0.54 -4.84 105.19 103.75 3i1m n GLY 33 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i1m n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m n ALA 34 N -3.00 0.00 -0.61 4.61 0.00 -1.18 -4.86 120.51 115.47 3i1m n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1m n ALA 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1m n ALA 34 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1m n GLN 35 N -0.31 0.00 -2.34 0.00 -0.06 -1.26 -4.04 117.38 109.38 3i1m n GLN 35 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 3i1m n GLN 35 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 3i1m n GLN 35 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i1m n VAL 36 N 0.00-12.17 -0.81 1.69 0.31 -1.26 -4.74 118.33 101.36 3i1m n VAL 36 Ca 0.00 2.71 -0.13 0.00 -0.01 0.00 0.00 64.34 66.91 3i1m n VAL 36 Cb 0.00 -6.02 -0.11 0.00 -0.91 0.00 0.00 33.84 26.80 3i1m n VAL 36 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1m n ARG 37 N 1.60 1.78 -1.13 5.55 5.12 -0.43 -4.94 116.66 124.20 3i1m n ARG 37 Ca -0.18 -0.96 0.15 0.00 -1.93 0.00 0.00 57.85 54.93 3i1m n ARG 37 Cb 0.28 -2.02 -0.04 0.00 -1.16 0.00 0.00 32.46 29.52 3i1m n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1m n GLY 38 N 2.83 -1.54 3.40 -0.13 0.00 -1.26 -4.48 105.19 104.02 3i1m n GLY 38 Ca 0.38 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 3i1m n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1m s PRO 39 N -2.16 3.96 0.02 1.61 0.04 -1.26 -3.77 135.00 133.44 3i1m s PRO 39 Ca 0.00 -2.59 -0.30 0.00 0.04 0.00 0.00 61.00 58.14 3i1m s PRO 39 Cb 0.00 -4.79 -0.06 0.00 0.04 0.00 0.00 34.50 29.69 3i1m s PRO 39 CO 0.00 -1.54 1.34 0.42 0.04 0.00 0.00 177.00 177.26 3i1m s ILE 40 N 0.75 3.75 0.02 0.56 1.01 -1.26 -4.80 121.20 121.23 3i1m s ILE 40 Ca 0.34 1.18 -0.14 0.00 0.00 0.00 0.00 60.65 62.03 3i1m s ILE 40 Cb -0.06 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 3i1m s ILE 40 CO -0.05 0.03 1.13 1.55 0.00 0.00 0.00 174.94 177.60 3i1m h PRO 41 N 7.43 -0.48 -0.38 2.79 0.13 -1.94 -0.59 132.00 138.96 3i1m h PRO 41 Ca -0.39 0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.82 3i1m h PRO 41 Cb 1.19 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 3i1m h PRO 41 CO 0.88 -0.32 -0.09 1.28 -0.23 0.00 0.00 178.00 179.51 3i1m n LEU 42 N -3.43 -0.10 -4.81 1.56 4.77 -1.26 -3.40 117.00 110.34 3i1m n LEU 42 Ca -0.06 0.22 -0.35 0.00 -0.03 0.00 0.00 56.01 55.78 3i1m n LEU 42 Cb 0.20 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 3i1m n LEU 42 CO 0.15 -0.36 0.53 -2.16 -1.33 0.00 0.00 177.39 174.22 3i1m s PRO 43 N -1.94 4.31 -0.10 3.23 0.04 -1.26 -4.73 135.00 134.55 3i1m s PRO 43 Ca 0.00 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 3i1m s PRO 43 Cb 0.00 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 3i1m s PRO 43 CO 0.00 0.25 0.35 0.99 0.04 0.00 0.00 177.00 178.63 3i1m s THR 44 N -1.74 5.22 -0.38 1.26 2.01 -1.26 -4.44 115.64 116.31 3i1m s THR 44 Ca 0.50 0.68 -0.16 0.00 0.31 0.00 0.00 61.69 63.02 3i1m s THR 44 Cb -0.15 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3i1m s THR 44 CO 0.20 0.46 0.41 -0.13 -0.69 0.00 0.00 174.62 174.87 3i1m s ARG 45 N -0.11 3.35 -0.42 4.92 1.81 -0.47 -4.86 118.95 123.17 3i1m s ARG 45 Ca 0.20 -0.55 -0.05 0.00 -1.72 0.00 0.00 55.73 53.61 3i1m s ARG 45 Cb -0.14 -3.88 0.10 0.00 -0.45 0.00 0.00 34.95 30.58 3i1m s ARG 45 CO 0.08 -0.69 0.23 -1.59 -0.68 0.00 0.00 175.30 172.65 3i1m s LYS 46 N 2.11 2.23 -0.55 3.54 -2.85 -1.26 0.28 119.74 123.25 3i1m s LYS 46 Ca 0.13 -1.71 -0.21 0.00 -1.00 0.00 0.00 55.97 53.18 3i1m s LYS 46 Cb -0.17 -3.66 0.06 0.00 -2.06 0.00 0.00 37.83 32.01 3i1m s LYS 46 CO 0.13 -1.05 0.76 -1.21 0.10 0.00 0.00 175.35 174.08 3i1m s GLU 47 N 1.24 3.16 0.51 1.78 2.02 -1.20 -4.88 118.70 121.34 3i1m s GLU 47 Ca 0.06 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 54.09 3i1m s GLU 47 Cb -0.23 -4.12 -0.07 0.00 0.10 0.00 0.00 34.13 29.80 3i1m s GLU 47 CO -0.02 -1.40 1.01 1.03 0.02 0.00 0.00 175.26 175.89 3i1m s ARG 48 N 3.15 3.80 -0.01 1.61 3.00 -1.26 -2.92 118.95 126.32 3i1m s ARG 48 Ca 0.19 1.14 0.02 0.00 0.00 0.00 0.00 55.73 57.08 3i1m s ARG 48 Cb -0.18 -2.11 0.00 0.00 0.00 0.00 0.00 34.95 32.67 3i1m s ARG 48 CO 0.13 -0.41 -0.05 -0.06 0.00 0.00 0.00 175.30 174.91 3i1m s PHE 49 N -2.35 0.53 -0.07 -0.53 0.40 0.22 -4.99 117.98 111.18 3i1m s PHE 49 Ca 0.63 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 3i1m s PHE 49 Cb -0.13 -0.38 0.02 0.00 0.51 0.00 0.00 43.02 43.04 3i1m s PHE 49 CO 0.27 -0.04 -0.10 0.95 0.70 0.00 0.00 175.22 177.00 3i1m s THR 50 N 0.08 1.03 0.12 0.64 -4.23 -1.26 -0.91 115.64 111.11 3i1m s THR 50 Ca -0.01 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.20 3i1m s THR 50 Cb -0.05 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 3i1m s THR 50 CO -0.00 0.34 -0.23 0.68 -0.54 0.00 0.00 174.62 174.87 3i1m s VAL 51 N 0.89 1.94 0.59 2.29 -7.23 -0.50 -4.93 120.40 113.45 3i1m s VAL 51 Ca -0.11 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.20 3i1m s VAL 51 Cb -0.15 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 3i1m s VAL 51 CO 0.01 -0.02 1.28 0.18 -0.31 0.00 0.00 175.10 176.24 3i1m n LEU 52 N 0.95 5.42 -0.03 1.32 4.77 -1.26 0.74 117.00 128.90 3i1m n LEU 52 Ca -0.18 0.91 0.03 0.00 -0.03 0.00 0.00 56.01 56.73 3i1m n LEU 52 Cb 0.54 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 3i1m n LEU 52 CO 0.23 -0.91 -0.82 0.00 -1.33 0.00 0.00 177.39 174.56 3i1m n ILE 53 N -1.42 0.38 -3.73 -0.08 3.06 -1.26 -4.66 119.36 111.65 3i1m n ILE 53 Ca 0.13 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.52 3i1m n ILE 53 Cb 0.46 -0.13 -0.07 0.00 0.54 0.00 0.00 39.64 40.44 3i1m n ILE 53 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3i1m s SER 54 N -4.35 6.33 0.23 9.51 0.15 -1.26 -4.97 113.70 119.34 3i1m s SER 54 Ca -0.07 0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 3i1m s SER 54 Cb 0.09 -2.11 0.33 0.00 -1.71 0.00 0.00 66.02 62.62 3i1m s SER 54 CO 0.71 0.24 1.82 1.55 1.20 0.00 0.00 173.24 178.76 3i1m h PRO 55 N 6.09 0.79 -5.61 5.44 0.13 -1.96 -3.41 132.00 133.47 3i1m h PRO 55 Ca -0.46 -0.05 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 3i1m h PRO 55 Cb 1.18 -0.18 -0.30 0.00 0.13 0.00 0.00 31.00 31.83 3i1m h PRO 55 CO 0.70 0.52 -0.84 -1.58 -0.23 0.00 0.00 178.00 176.57 3i1m s HIS 56 N -6.06 1.76 0.04 1.56 5.65 -1.26 -5.08 115.29 111.90 3i1m s HIS 56 Ca -0.13 -0.43 0.00 0.00 0.25 0.00 0.00 55.06 54.76 3i1m s HIS 56 Cb 0.18 -1.16 0.00 0.00 -1.18 0.00 0.00 32.58 30.42 3i1m s HIS 56 CO 0.78 -0.10 0.00 1.55 -0.65 0.00 0.00 174.74 176.31 3i1m n VAL 57 N 2.88 0.00 -1.43 0.89 3.14 -1.26 -4.99 118.33 117.55 3i1m n VAL 57 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3i1m n VAL 57 Cb 0.53 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 3i1m n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i1m n ASN 58 N -4.21 -1.91 0.13 6.55 3.02 -1.26 -4.63 115.26 112.95 3i1m n ASN 58 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3i1m n ASN 58 Cb 0.08 -0.95 0.24 0.00 -0.61 0.00 0.00 39.78 38.54 3i1m n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3i1m h LYS 59 N 0.00 0.00 0.00 3.52 5.09 -1.96 -3.02 116.57 120.21 3i1m h LYS 59 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3i1m h LYS 59 Cb 0.96 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.29 3i1m h LYS 59 CO 0.00 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.11 3i1m n ASP 60 N -2.54 0.22 0.00 7.07 9.92 -1.26 -4.47 116.55 125.49 3i1m n ASP 60 Ca 0.04 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 3i1m n ASP 60 Cb 0.48 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 3i1m n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i1m n ALA 61 N -1.58 0.00 -1.14 2.24 0.00 -1.14 -5.02 120.51 113.86 3i1m n ALA 61 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3i1m n ALA 61 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3i1m n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1m n ARG 62 N 0.00 -3.09 -4.72 0.00 1.74 -1.25 -4.83 116.66 104.51 3i1m n ARG 62 Ca 0.00 2.37 -0.26 0.00 -0.77 0.00 0.00 57.85 59.19 3i1m n ARG 62 Cb 0.00 -2.86 -0.14 0.00 -1.02 0.00 0.00 32.46 28.43 3i1m n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i1m s ASP 63 N -4.19 2.51 -0.34 0.55 3.68 0.23 -4.68 116.67 114.42 3i1m s ASP 63 Ca 0.00 -0.50 0.02 0.00 2.13 0.00 0.00 52.55 54.19 3i1m s ASP 63 Cb 0.00 -0.22 0.09 0.00 -1.45 0.00 0.00 42.92 41.34 3i1m s ASP 63 CO 0.00 0.18 0.06 -1.10 0.13 0.00 0.00 175.17 174.45 3i1m s GLN 64 N -1.07 1.79 0.13 4.34 -0.21 -1.26 -1.41 119.66 121.98 3i1m s GLN 64 Ca 0.08 -1.74 0.04 0.00 0.02 0.00 0.00 55.36 53.75 3i1m s GLN 64 Cb -0.09 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 3i1m s GLN 64 CO 0.01 -0.90 0.14 0.71 -2.12 0.00 0.00 175.29 173.13 3i1m s TYR 65 N 1.02 3.22 0.16 0.91 4.12 -0.09 -4.98 117.35 121.71 3i1m s TYR 65 Ca 0.06 0.05 0.04 0.00 0.02 0.00 0.00 57.07 57.24 3i1m s TYR 65 Cb -0.20 -1.58 -0.05 0.00 -1.52 0.00 0.00 41.96 38.61 3i1m s TYR 65 CO -0.06 0.52 -0.07 -1.83 0.02 0.00 0.00 175.55 174.13 3i1m s GLU 66 N -2.84 1.09 -0.32 -0.62 -1.05 -1.26 -0.61 118.70 113.09 3i1m s GLU 66 Ca 0.31 -1.49 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 3i1m s GLU 66 Cb -0.11 -0.55 0.10 0.00 -0.44 0.00 0.00 34.13 33.13 3i1m s GLU 66 CO 0.24 0.02 0.10 0.42 0.95 0.00 0.00 175.26 176.98 3i1m s ILE 67 N -3.40 1.11 0.20 1.83 1.01 -1.15 -4.99 121.20 115.81 3i1m s ILE 67 Ca 0.19 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 58.95 3i1m s ILE 67 Cb 0.04 -1.83 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 3i1m s ILE 67 CO 0.02 -0.67 1.18 -0.13 0.00 0.00 0.00 174.94 175.33 3i1m s ARG 68 N 1.46 4.51 -0.39 2.79 0.52 -1.26 -3.26 118.95 123.32 3i1m s ARG 68 Ca 0.10 1.86 0.03 0.00 -0.52 0.00 0.00 55.73 57.20 3i1m s ARG 68 Cb -0.18 -3.23 0.11 0.00 0.52 0.00 0.00 34.95 32.17 3i1m s ARG 68 CO -0.22 -0.04 0.14 0.99 0.02 0.00 0.00 175.30 176.20 3i1m s THR 69 N -0.24 1.88 0.19 0.02 2.01 0.14 -4.45 115.64 115.18 3i1m s THR 69 Ca 0.51 -2.41 -0.19 0.00 0.31 0.00 0.00 61.69 59.91 3i1m s THR 69 Cb -0.32 -2.36 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 3i1m s THR 69 CO 0.38 -0.72 0.68 -1.38 -0.69 0.00 0.00 174.62 172.89 3i1m s HIS 70 N 0.68 3.69 0.33 4.92 -3.43 -1.11 -1.37 115.29 118.99 3i1m s HIS 70 Ca 0.13 1.34 0.09 0.00 -0.80 0.00 0.00 55.06 55.83 3i1m s HIS 70 Cb -0.21 -2.58 -0.05 0.00 -1.43 0.00 0.00 32.58 28.31 3i1m s HIS 70 CO -0.08 0.40 -0.03 -0.51 -2.00 0.00 0.00 174.74 172.52 3i1m s LEU 71 N -1.78 2.91 0.17 5.38 2.01 -1.26 -3.03 118.68 123.08 3i1m s LEU 71 Ca 0.40 -1.01 -0.07 0.00 0.01 0.00 0.00 54.13 53.45 3i1m s LEU 71 Cb -0.17 -1.28 -0.02 0.00 0.01 0.00 0.00 46.19 44.73 3i1m s LEU 71 CO 0.21 -0.19 0.25 -0.13 1.01 0.00 0.00 176.35 177.50 3i1m s ARG 72 N -3.67 1.17 -0.01 1.70 1.81 -0.46 -4.51 118.95 114.98 3i1m s ARG 72 Ca 0.34 -1.28 -0.00 0.00 -1.72 0.00 0.00 55.73 53.06 3i1m s ARG 72 Cb -0.00 0.35 -0.01 0.00 -0.45 0.00 0.00 34.95 34.84 3i1m s ARG 72 CO 0.18 -0.42 -0.02 -0.11 -0.68 0.00 0.00 175.30 174.26 3i1m n LEU 73 N -0.22 1.25 0.00 2.53 -0.00 -0.23 -2.52 117.00 117.81 3i1m n LEU 73 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 3i1m n LEU 73 Cb 0.63 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 3i1m n LEU 73 CO 0.26 0.23 0.00 0.52 -0.00 0.00 0.00 177.39 178.40 3i1m n VAL 74 N -2.86 0.00 -2.54 1.96 0.31 -1.25 -3.14 118.33 110.81 3i1m n VAL 74 Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.29 3i1m n VAL 74 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3i1m n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i1m n ASP 75 N 5.36 -7.10 -4.87 4.52 2.03 -1.25 -3.82 116.55 111.43 3i1m n ASP 75 Ca 0.00 1.10 -0.37 0.00 0.52 0.00 0.00 54.79 56.04 3i1m n ASP 75 Cb 0.00 -4.69 -0.06 0.00 -0.72 0.00 0.00 41.12 35.65 3i1m n ASP 75 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i1m s ILE 76 N -1.53 5.43 -0.15 5.18 1.01 0.18 -1.31 121.20 130.01 3i1m s ILE 76 Ca 0.03 0.30 0.19 0.00 0.00 0.00 0.00 60.65 61.16 3i1m s ILE 76 Cb -0.01 -3.45 -0.27 0.00 0.01 0.00 0.00 42.46 38.74 3i1m s ILE 76 CO 0.66 0.60 0.17 0.52 0.00 0.00 0.00 174.94 176.90 3i1m n VAL 77 N 1.91 1.00 -3.68 2.92 0.31 -1.26 -0.29 118.33 119.25 3i1m n VAL 77 Ca -0.19 -0.75 -0.38 0.00 -0.01 0.00 0.00 64.34 63.02 3i1m n VAL 77 Cb 0.54 -0.35 -0.09 0.00 -0.91 0.00 0.00 33.84 33.04 3i1m n VAL 77 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i1m s GLU 78 N -2.74 2.57 -0.94 5.55 2.56 -1.26 -4.79 118.70 119.65 3i1m s GLU 78 Ca -0.09 -2.35 -0.24 0.00 0.00 0.00 0.00 54.97 52.28 3i1m s GLU 78 Cb 0.08 -3.79 -0.05 0.00 2.00 0.00 0.00 34.13 32.37 3i1m s GLU 78 CO 0.83 -1.17 1.94 -1.25 -0.56 0.00 0.00 175.26 175.05 3i1m s PRO 79 N 0.26 2.56 -0.18 4.30 0.04 -1.26 -4.53 135.00 136.19 3i1m s PRO 79 Ca 0.15 -0.42 -0.13 0.00 0.04 0.00 0.00 61.00 60.63 3i1m s PRO 79 Cb -0.20 -5.09 -0.05 0.00 0.04 0.00 0.00 34.50 29.20 3i1m s PRO 79 CO -0.04 -3.44 0.28 0.99 0.04 0.00 0.00 177.00 174.83 3i1m s THR 80 N 10.13 5.30 0.56 1.26 2.01 -1.26 -4.92 115.64 128.72 3i1m s THR 80 Ca 0.70 0.50 0.46 0.00 0.31 0.00 0.00 61.69 63.65 3i1m s THR 80 Cb -0.06 -3.62 0.68 0.00 0.01 0.00 0.00 72.50 69.51 3i1m s THR 80 CO 0.01 0.36 1.65 -0.33 -0.69 0.00 0.00 174.62 175.62 3i1m h GLU 81 N 6.94 0.00 0.33 4.92 4.39 -1.97 0.66 114.58 129.85 3i1m h GLU 81 Ca -0.40 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 3i1m h GLU 81 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3i1m h GLU 81 CO 0.74 0.00 -0.16 0.87 -1.16 0.00 0.00 179.01 179.30 3i1m h LYS 82 N 0.00 -0.42 -0.41 2.33 1.57 -1.97 -2.62 116.57 115.05 3i1m h LYS 82 Ca 0.81 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 59.54 3i1m h LYS 82 Cb 3.27 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 35.66 3i1m h LYS 82 CO -0.01 -0.26 -0.09 0.00 -0.57 0.00 0.00 179.45 178.52 3i1m h THR 83 N -1.11 1.25 -0.67 -0.16 1.03 -0.53 0.13 112.91 112.86 3i1m h THR 83 Ca -0.05 -1.10 -0.01 0.00 -0.01 0.00 0.00 66.41 65.25 3i1m h THR 83 Cb 0.36 1.03 -0.03 0.00 -1.07 0.00 0.00 68.15 68.44 3i1m h THR 83 CO 0.07 0.37 0.38 1.62 -0.01 0.00 0.00 175.52 177.96 3i1m h VAL 84 N 0.66 1.20 0.00 0.00 3.04 -0.08 -0.41 116.25 120.65 3i1m h VAL 84 Ca 0.12 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3i1m h VAL 84 Cb 0.54 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 3i1m h VAL 84 CO 0.03 0.21 0.00 -0.78 -1.01 0.00 0.00 177.57 176.02 3i1m h ASP 85 N 0.92 0.00 0.43 3.17 3.58 -0.74 -3.27 116.42 120.51 3i1m h ASP 85 Ca 0.24 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 3i1m h ASP 85 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3i1m h ASP 85 CO -0.04 0.00 -0.20 0.00 -2.88 0.00 0.00 179.24 176.11 3i1m h ALA 86 N 2.17 -0.57 -0.93 -0.78 0.00 0.93 -3.28 119.26 116.80 3i1m h ALA 86 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3i1m h ALA 86 Cb 0.69 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 3i1m h ALA 86 CO 0.00 -0.56 -0.55 -0.11 0.00 0.00 0.00 179.25 178.03 3i1m n LEU 87 N -5.16 -0.99 -4.61 0.00 -0.00 -1.02 -3.89 117.00 101.33 3i1m n LEU 87 Ca -0.08 1.70 -0.40 0.00 -0.00 0.00 0.00 56.01 57.23 3i1m n LEU 87 Cb 0.26 -0.24 0.03 0.00 -0.00 0.00 0.00 43.42 43.47 3i1m n LEU 87 CO 0.21 -1.37 0.55 0.23 -0.00 0.00 0.00 177.39 177.01 3i1m n MET 88 N -5.11 1.19 -0.53 1.96 2.81 -1.23 -1.67 117.12 114.53 3i1m n MET 88 Ca 0.02 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 3i1m n MET 88 Cb 0.24 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 3i1m n MET 88 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i1m n ARG 89 N -0.22 -0.30 -2.84 0.03 3.00 -1.26 -4.68 116.66 110.38 3i1m n ARG 89 Ca 0.11 0.07 -0.19 0.00 -0.00 0.00 0.00 57.85 57.83 3i1m n ARG 89 Cb 0.42 -4.34 -0.01 0.00 0.00 0.00 0.00 32.46 28.54 3i1m n ARG 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3i1m n LEU 90 N 0.00 2.63 -0.06 6.15 4.77 -0.67 -4.88 117.00 124.94 3i1m n LEU 90 Ca 0.00 -4.86 -0.08 0.00 -0.03 0.00 0.00 56.01 51.04 3i1m n LEU 90 Cb 0.07 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3i1m n LEU 90 CO 0.00 2.10 -0.91 -0.90 -1.33 0.00 0.00 177.39 176.35 3i1m n ASP 91 N -0.09 2.95 0.00 -1.43 5.75 -1.23 -4.77 116.55 117.73 3i1m n ASP 91 Ca 0.25 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 3i1m n ASP 91 Cb 0.64 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3i1m n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i1m n LEU 92 N -2.82 0.00 -2.43 -2.12 -0.00 -1.26 -4.96 117.00 103.42 3i1m n LEU 92 Ca -0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.75 3i1m n LEU 92 Cb 0.75 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.14 3i1m n LEU 92 CO 0.14 0.00 -0.55 0.00 -0.00 0.00 0.00 177.39 176.98 3i1m n ALA 93 N 0.01 -3.60 -2.22 1.47 0.00 -1.26 -5.00 120.51 109.91 3i1m n ALA 93 Ca 0.00 1.87 -0.31 0.00 0.00 0.00 0.00 53.44 55.01 3i1m n ALA 93 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 19.45 15.75 3i1m n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m s ALA 94 N -0.66 3.39 0.00 0.00 0.00 -1.26 -4.13 121.76 119.10 3i1m s ALA 94 Ca -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3i1m s ALA 94 Cb 0.01 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3i1m s ALA 94 CO 0.67 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.96 3i1m n GLY 95 N -0.99 0.53 2.69 0.00 0.00 -1.26 -5.02 105.19 101.14 3i1m n GLY 95 Ca 0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 3i1m n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1m s VAL 96 N -2.00 1.41 0.16 1.61 1.01 -1.26 -4.48 120.40 116.85 3i1m s VAL 96 Ca 0.00 -2.75 -0.34 0.00 0.00 0.00 0.00 61.98 58.89 3i1m s VAL 96 Cb 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 36.38 34.26 3i1m s VAL 96 CO 0.00 -0.96 1.43 -0.67 0.00 0.00 0.00 175.10 174.91 3i1m n ASP 97 N 3.28 2.45 -4.10 3.32 4.64 0.03 -4.73 116.55 121.43 3i1m n ASP 97 Ca 0.13 1.11 -0.26 0.00 -1.38 0.00 0.00 54.79 54.39 3i1m n ASP 97 Cb 0.36 -1.34 -0.16 0.00 -1.04 0.00 0.00 41.12 38.94 3i1m n ASP 97 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3i1m s VAL 98 N 0.46 1.36 -0.04 5.18 -7.23 -1.26 -1.17 120.40 117.70 3i1m s VAL 98 Ca 0.77 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 3i1m s VAL 98 Cb -0.76 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.01 3i1m s VAL 98 CO 0.44 0.40 -0.08 -1.10 -0.31 0.00 0.00 175.10 174.45 3i1m s GLN 99 N 0.22 1.04 -0.04 4.82 -0.21 -0.27 -4.95 119.66 120.27 3i1m s GLN 99 Ca -0.07 -0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.11 3i1m s GLN 99 Cb -0.13 -0.96 -0.06 0.00 1.00 0.00 0.00 33.01 32.87 3i1m s GLN 99 CO 0.03 0.01 0.02 0.44 -2.12 0.00 0.00 175.29 173.67 3i1m n ILE 100 N 3.72 0.28 -0.35 1.08 -5.35 -1.25 -0.05 119.36 117.44 3i1m n ILE 100 Ca -0.22 -0.18 -0.18 0.00 -0.27 0.00 0.00 62.75 61.90 3i1m n ILE 100 Cb 0.52 -0.77 0.17 0.00 -1.74 0.00 0.00 39.64 37.82 3i1m n ILE 100 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3i1m n SER 101 N -2.12 -2.79 0.00 7.28 7.64 -1.26 -4.43 113.62 117.94 3i1m n SER 101 Ca -0.07 -0.63 0.12 0.00 1.01 0.00 0.00 58.87 59.30 3i1m n SER 101 Cb 0.60 -0.59 0.74 0.00 -1.01 0.00 0.00 64.21 63.95 3i1m n SER 101 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21