#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i s SER 2 N 0.00 3.54 0.07 1.61 0.15 -1.26 -5.03 113.70 112.78 2d9i s SER 2 Ca 0.00 -0.35 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 2d9i s SER 2 Cb 0.00 -0.77 -0.11 0.00 -1.71 0.00 0.00 66.02 63.44 2d9i s SER 2 CO 0.00 0.30 1.42 -1.28 1.20 0.00 0.00 173.24 174.88 2d9i h SER 3 N 5.66 0.47 0.00 5.45 0.87 -2.07 -3.49 113.55 120.45 2d9i h SER 3 Ca -0.41 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2d9i h SER 3 Cb 1.15 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2d9i h SER 3 CO 0.49 0.79 0.00 0.61 -0.53 0.00 0.00 176.83 178.19 2d9i n GLY 4 N 0.00 -0.21 3.82 5.77 0.00 -1.26 -5.12 105.19 108.19 2d9i n GLY 4 Ca -0.05 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2d9i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9i s SER 5 N -4.00 7.01 -0.52 1.61 0.01 -1.26 -5.02 113.70 111.53 2d9i s SER 5 Ca 0.00 1.39 -0.27 0.00 1.31 0.00 0.00 55.95 58.39 2d9i s SER 5 Cb 0.00 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.85 2d9i s SER 5 CO 0.00 -0.00 1.05 -0.94 0.41 0.00 0.00 173.24 173.76 2d9i s SER 6 N -1.74 6.48 -0.38 2.44 1.04 -1.26 -4.90 113.70 115.37 2d9i s SER 6 Ca 0.44 0.08 0.11 0.00 0.48 0.00 0.00 55.95 57.07 2d9i s SER 6 Cb -0.16 -2.50 0.33 0.00 0.10 0.00 0.00 66.02 63.79 2d9i s SER 6 CO 0.20 -1.26 0.71 0.61 0.98 0.00 0.00 173.24 174.49 2d9i n GLY 7 N 5.00 3.27 0.13 7.32 0.00 -1.26 -4.90 105.19 114.74 2d9i n GLY 7 Ca 0.07 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 2d9i n GLY 7 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d9i h GLN 8 N 3.20 0.28 0.00 1.61 4.15 -2.02 -3.38 115.11 118.95 2d9i h GLN 8 Ca 0.08 -0.47 -0.16 0.00 0.77 0.00 0.00 58.65 58.87 2d9i h GLN 8 Cb 0.96 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 2d9i h GLN 8 CO 0.47 1.23 -1.51 0.09 -1.93 0.00 0.00 178.83 177.18 2d9i n ASN 9 N -3.92 0.72 -4.60 -0.69 4.13 -1.26 -4.84 115.26 104.80 2d9i n ASN 9 Ca -0.23 0.31 -0.36 0.00 1.68 0.00 0.00 54.58 55.98 2d9i n ASN 9 Cb 0.91 0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 39.45 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d9i s VAL 10 N -2.97 4.99 -0.31 2.41 0.11 -1.26 -2.81 120.40 120.56 2d9i s VAL 10 Ca -0.04 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 2d9i s VAL 10 Cb 0.09 -3.31 0.04 0.00 -1.53 0.00 0.00 36.38 31.67 2d9i s VAL 10 CO 0.82 0.37 0.05 -0.22 -3.33 0.00 0.00 175.10 172.78 2d9i s LEU 11 N 1.04 4.02 -0.06 2.54 2.96 -0.64 -4.66 118.68 123.87 2d9i s LEU 11 Ca 0.06 -1.14 -0.24 0.00 -0.22 0.00 0.00 54.13 52.59 2d9i s LEU 11 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2d9i s LEU 11 CO 0.04 -0.27 0.72 -0.62 -1.32 0.00 0.00 176.35 174.90 2d9i s ASP 12 N 1.34 7.01 0.00 3.68 2.15 -1.26 -2.62 116.67 126.98 2d9i s ASP 12 Ca -0.03 1.22 0.10 0.00 0.43 0.00 0.00 52.55 54.27 2d9i s ASP 12 Cb -0.19 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 39.91 2d9i s ASP 12 CO 0.01 -0.13 0.48 0.18 -0.17 0.00 0.00 175.17 175.54 2d9i n LEU 13 N 3.82 0.62 -4.62 -1.34 4.77 0.69 -4.94 117.00 115.99 2d9i n LEU 13 Ca -0.01 -0.54 -0.51 0.00 -0.03 0.00 0.00 56.01 54.92 2d9i n LEU 13 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2d9i n LEU 13 CO 0.47 0.14 1.56 1.57 -1.33 0.00 0.00 177.39 179.81 2d9i n HIS 14 N -1.08 2.07 0.00 -1.77 -0.00 -1.08 -1.20 115.22 112.16 2d9i n HIS 14 Ca 0.02 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.38 2d9i n HIS 14 Cb 0.17 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.45 2d9i n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d9i n GLY 15 N 4.99 3.08 3.70 1.57 0.00 -1.26 -5.08 105.19 112.19 2d9i n GLY 15 Ca 0.29 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2d9i n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9i s LEU 16 N 0.00 2.16 0.22 0.99 1.43 -0.34 -5.02 118.68 118.12 2d9i s LEU 16 Ca 0.00 1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 54.40 2d9i s LEU 16 Cb 0.00 -3.85 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 2d9i s LEU 16 CO 0.00 -2.75 0.67 -2.28 0.23 0.00 0.00 176.35 172.22 2d9i s HIS 17 N -2.91 3.59 0.13 0.29 5.65 -1.26 -4.77 115.29 116.00 2d9i s HIS 17 Ca 0.64 1.26 -0.23 0.00 0.25 0.00 0.00 55.06 56.98 2d9i s HIS 17 Cb -0.18 -2.53 -0.03 0.00 -1.18 0.00 0.00 32.58 28.65 2d9i s HIS 17 CO 0.57 0.32 1.18 0.28 -0.65 0.00 0.00 174.74 176.45 2d9i n VAL 18 N 0.56 -0.51 -0.32 0.89 0.31 -1.26 0.18 118.33 118.18 2d9i n VAL 18 Ca -0.02 1.85 0.12 0.00 -0.01 0.00 0.00 64.34 66.28 2d9i n VAL 18 Cb 0.52 -2.30 0.29 0.00 -0.91 0.00 0.00 33.84 31.43 2d9i n VAL 18 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2d9i h ASP 19 N 0.00 0.52 0.62 4.52 2.03 -1.96 0.10 116.42 122.26 2d9i h ASP 19 Ca 0.13 0.12 -0.03 0.00 -0.73 0.00 0.00 57.03 56.52 2d9i h ASP 19 Cb 0.33 0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2d9i h ASP 19 CO -0.72 0.14 -0.30 -0.33 -1.03 0.00 0.00 179.24 177.00 2d9i h GLU 20 N 0.57 -0.80 -0.71 4.15 4.39 0.15 -2.02 114.58 120.30 2d9i h GLU 20 Ca 0.54 0.05 0.16 0.00 0.34 0.00 0.00 59.36 60.45 2d9i h GLU 20 Cb 0.91 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 29.62 2d9i h GLU 20 CO -0.44 -0.53 0.04 0.00 -1.16 0.00 0.00 179.01 176.91 2d9i h ALA 21 N -1.24 0.77 0.78 3.43 0.00 -0.16 0.15 119.26 122.99 2d9i h ALA 21 Ca -0.09 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2d9i h ALA 21 Cb 0.64 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2d9i h ALA 21 CO 0.14 -0.40 -0.46 -0.07 0.00 0.00 0.00 179.25 178.46 2d9i h LEU 22 N 0.14 -1.15 -0.95 0.00 3.38 -0.85 0.19 115.31 116.07 2d9i h LEU 22 Ca 0.39 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.58 2d9i h LEU 22 Cb 0.67 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 2d9i h LEU 22 CO -0.60 -0.72 0.55 -0.33 0.09 0.00 0.00 178.44 177.43 2d9i h GLU 23 N -1.15 0.72 0.00 1.13 5.08 -0.64 0.25 114.58 119.97 2d9i h GLU 23 Ca -0.10 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2d9i h GLU 23 Cb 0.92 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2d9i h GLU 23 CO 0.11 0.48 -0.44 0.45 -1.00 0.00 0.00 179.01 178.61 2d9i h HIS 24 N 0.74 0.00 -0.07 4.33 3.86 -0.41 -0.77 115.15 122.85 2d9i h HIS 24 Ca 0.53 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.57 2d9i h HIS 24 Cb 0.75 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2d9i h HIS 24 CO -0.04 0.44 -0.66 1.25 0.86 0.00 0.00 177.93 179.78 2d9i h LEU 25 N 0.00 0.32 0.00 2.43 5.85 0.26 -2.50 115.31 121.68 2d9i h LEU 25 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2d9i h LEU 25 Cb 0.82 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 2d9i h LEU 25 CO 0.06 0.89 -0.05 0.24 -0.34 0.00 0.00 178.44 179.24 2d9i h MET 26 N 0.20 0.00 -0.95 1.25 2.86 -0.98 -2.31 114.93 115.00 2d9i h MET 26 Ca -0.02 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.78 2d9i h MET 26 Cb 1.20 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.78 2d9i h MET 26 CO 0.11 0.75 0.60 0.00 1.06 0.00 0.00 176.91 179.42 2d9i h ARG 27 N -1.00 0.74 -0.02 1.72 2.47 -1.24 -1.21 114.38 115.84 2d9i h ARG 27 Ca -0.01 -0.04 -0.25 0.00 -1.26 0.00 0.00 59.98 58.41 2d9i h ARG 27 Cb 0.76 -0.17 0.02 0.00 -1.65 0.00 0.00 29.97 28.94 2d9i h ARG 27 CO -0.01 0.49 -0.98 -0.39 0.56 0.00 0.00 179.97 179.64 2d9i h VAL 28 N 0.76 1.29 0.00 2.04 -1.51 -1.56 -2.65 116.25 114.61 2d9i h VAL 28 Ca 0.49 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 2d9i h VAL 28 Cb 0.75 2.35 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 2d9i h VAL 28 CO -0.26 0.68 0.06 -0.07 -1.23 0.00 0.00 177.57 176.76 2d9i h LEU 29 N 0.38 0.00 0.05 4.19 3.38 -0.64 0.79 115.31 123.45 2d9i h LEU 29 Ca -0.12 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.50 2d9i h LEU 29 Cb 1.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 2d9i h LEU 29 CO 0.19 0.00 -2.12 -0.62 0.09 0.00 0.00 178.44 175.98 2d9i n GLU 30 N -2.93 0.69 -0.06 1.13 1.02 -0.85 -3.98 120.64 115.66 2d9i n GLU 30 Ca -0.03 0.20 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 2d9i n GLU 30 Cb 0.12 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.86 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2d9i h LYS 31 N 0.03 0.00 -1.06 3.49 1.63 -0.89 -2.85 116.57 116.91 2d9i h LYS 31 Ca -0.45 0.00 0.32 0.00 -0.85 0.00 0.00 60.65 59.66 2d9i h LYS 31 Cb 2.03 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 33.53 2d9i h LYS 31 CO 0.03 0.25 0.64 0.87 -3.45 0.00 0.00 179.45 177.79 2d9i h LYS 32 N -1.00 0.33 0.00 1.90 1.79 0.30 1.00 116.57 120.89 2d9i h LYS 32 Ca -0.03 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.29 2d9i h LYS 32 Cb 0.39 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2d9i h LYS 32 CO -0.02 0.22 -0.62 0.00 -1.08 0.00 0.00 179.45 177.96 2d9i h THR 33 N 0.34 1.12 0.44 -0.16 1.03 -1.69 -3.09 112.91 110.90 2d9i h THR 33 Ca 0.70 -2.42 -0.02 0.00 -0.01 0.00 0.00 66.41 64.67 2d9i h THR 33 Cb 1.71 2.44 -0.01 0.00 -1.07 0.00 0.00 68.15 71.22 2d9i h THR 33 CO -0.49 0.60 -0.36 -0.08 -0.01 0.00 0.00 175.52 175.19 2d9i h GLU 34 N 0.00 -0.75 -0.10 0.00 4.81 0.13 -2.27 114.58 116.41 2d9i h GLU 34 Ca -0.01 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2d9i h GLU 34 Cb 1.40 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 2d9i h GLU 34 CO 0.08 -0.50 -0.07 0.93 -0.73 0.00 0.00 179.01 178.73 2d9i h GLU 35 N -0.77 0.15 -0.95 1.92 5.08 -1.64 0.85 114.58 119.22 2d9i h GLU 35 Ca -0.06 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2d9i h GLU 35 Cb 0.65 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2d9i h GLU 35 CO 0.00 0.23 0.61 0.35 -1.00 0.00 0.00 179.01 179.20 2d9i h PHE 36 N 0.15 1.05 0.03 4.33 3.57 -1.38 0.91 116.94 125.59 2d9i h PHE 36 Ca 0.03 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.25 2d9i h PHE 36 Cb 0.22 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2d9i h PHE 36 CO 0.00 0.46 -1.74 1.63 -2.23 0.00 0.00 178.31 176.43 2d9i n LYS 37 N -4.56 0.62 0.30 1.11 5.02 -0.89 -2.88 118.16 116.89 2d9i n LYS 37 Ca 0.17 0.42 -0.16 0.00 -2.02 0.00 0.00 58.31 56.72 2d9i n LYS 37 Cb 0.32 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 2d9i n LYS 37 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2d9i h GLN 38 N -0.69 -0.72 0.00 1.97 7.50 -0.76 -3.40 115.11 119.01 2d9i h GLN 38 Ca -0.44 0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.75 2d9i h GLN 38 Cb 1.57 0.16 0.00 0.00 0.05 0.00 0.00 27.48 29.26 2d9i h GLN 38 CO -0.17 -0.44 -0.10 0.09 -1.50 0.00 0.00 178.83 176.70 2d9i n ASN 39 N -5.38 0.34 0.00 1.46 4.13 0.25 -5.04 115.26 111.03 2d9i n ASN 39 Ca -0.12 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.43 2d9i n ASN 39 Cb 0.32 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 2d9i n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d9i n GLY 40 N 1.70 3.38 0.00 7.41 0.00 0.21 -4.97 105.19 112.92 2d9i n GLY 40 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2d9i n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 41 N 0.00 3.22 3.73 -0.02 0.00 -1.17 -4.85 105.19 106.10 2d9i n GLY 41 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2d9i n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s LYS 42 N 0.10 4.22 0.00 1.61 1.02 -1.26 -4.87 119.74 120.56 2d9i s LYS 42 Ca 0.00 2.37 0.15 0.00 0.02 0.00 0.00 55.97 58.51 2d9i s LYS 42 Cb 0.00 -3.13 0.87 0.00 -0.52 0.00 0.00 37.83 35.05 2d9i s LYS 42 CO 0.00 -0.56 1.36 -0.35 -0.92 0.00 0.00 175.35 174.88 2d9i n PRO 43 N 3.41 0.40 -4.58 -1.68 -0.04 -1.26 -4.75 135.00 126.49 2d9i n PRO 43 Ca 0.12 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.35 2d9i n PRO 43 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 2d9i n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2d9i s TYR 44 N -2.18 1.83 -0.13 0.54 -0.85 -1.26 0.20 117.35 115.51 2d9i s TYR 44 Ca 0.20 -1.17 -0.09 0.00 -0.52 0.00 0.00 57.07 55.49 2d9i s TYR 44 Cb 0.10 -1.30 0.04 0.00 0.38 0.00 0.00 41.96 41.18 2d9i s TYR 44 CO 0.19 -0.13 0.32 -1.17 -1.52 0.00 0.00 175.55 173.24 2d9i s LEU 45 N -3.68 0.54 0.21 -3.49 2.96 -0.70 -4.75 118.68 109.77 2d9i s LEU 45 Ca 0.20 0.66 -0.21 0.00 -0.22 0.00 0.00 54.13 54.56 2d9i s LEU 45 Cb 0.03 1.05 -0.08 0.00 0.50 0.00 0.00 46.19 47.69 2d9i s LEU 45 CO 0.12 -0.14 0.73 -0.55 -1.32 0.00 0.00 176.35 175.19 2d9i s SER 46 N 0.65 7.13 -0.21 3.68 0.15 -1.12 -2.26 113.70 121.72 2d9i s SER 46 Ca -0.04 1.47 -0.04 0.00 0.70 0.00 0.00 55.95 58.04 2d9i s SER 46 Cb -0.05 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 61.92 2d9i s SER 46 CO -0.04 0.08 0.22 -0.69 1.20 0.00 0.00 173.24 174.01 2d9i s VAL 47 N -1.43 -0.32 -0.45 4.45 1.01 -0.97 -1.63 120.40 121.07 2d9i s VAL 47 Ca 0.41 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2d9i s VAL 47 Cb -0.18 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.55 2d9i s VAL 47 CO 0.22 -0.24 0.37 -0.63 0.00 0.00 0.00 175.10 174.82 2d9i s ILE 48 N 2.32 5.22 -0.11 2.22 1.09 -1.08 -0.83 121.20 130.03 2d9i s ILE 48 Ca 0.07 -0.88 0.17 0.00 -1.10 0.00 0.00 60.65 58.91 2d9i s ILE 48 Cb -0.16 -4.06 -0.19 0.00 -1.06 0.00 0.00 42.46 36.99 2d9i s ILE 48 CO -0.14 -0.49 0.64 0.35 -0.10 0.00 0.00 174.94 175.20 2d9i n THR 49 N 5.21 1.22 0.00 2.92 -2.24 -1.18 -0.22 114.28 119.99 2d9i n THR 49 Ca -0.12 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2d9i n THR 49 Cb 0.45 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 2d9i n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d9i n GLY 50 N 1.48 1.74 3.74 3.38 0.00 -1.25 -3.87 105.19 110.40 2d9i n GLY 50 Ca -0.15 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2d9i n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2d9i s ARG 51 N -0.20 4.30 0.75 1.61 3.00 -1.26 -3.61 118.95 123.54 2d9i s ARG 51 Ca 0.00 0.55 0.00 0.00 -1.00 0.00 0.00 55.73 55.28 2d9i s ARG 51 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 34.95 31.56 2d9i s ARG 51 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 175.30 175.96 2d9i n GLY 52 N 2.91 -0.93 2.92 8.12 0.00 -1.21 -4.87 105.19 112.14 2d9i n GLY 52 Ca -0.07 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2d9i n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s ASN 53 N -4.55 0.75 -0.22 1.61 2.20 -1.26 -4.97 114.94 108.51 2d9i s ASN 53 Ca 0.00 -0.11 -0.18 0.00 -0.94 0.00 0.00 52.86 51.64 2d9i s ASN 53 Cb 0.00 -0.25 -0.15 0.00 -2.00 0.00 0.00 41.25 38.86 2d9i s ASN 53 CO 0.00 0.00 -0.01 1.41 -2.94 0.00 0.00 177.10 175.56 2d9i n HIS 54 N 3.52 0.70 -2.94 1.54 8.25 -1.26 -5.00 115.22 120.04 2d9i n HIS 54 Ca -0.20 0.30 -0.19 0.00 -0.26 0.00 0.00 57.72 57.37 2d9i n HIS 54 Cb 0.54 -1.00 0.05 0.00 1.12 0.00 0.00 29.99 30.70 2d9i n HIS 54 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2d9i s SER 55 N -6.82 5.19 -0.19 0.41 0.01 -1.26 -5.05 113.70 105.98 2d9i s SER 55 Ca -0.29 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.39 2d9i s SER 55 Cb 0.08 -0.12 -0.21 0.00 0.21 0.00 0.00 66.02 65.97 2d9i s SER 55 CO 0.51 -1.22 0.06 0.00 0.41 0.00 0.00 173.24 173.00 2d9i n GLN 56 N -2.21 0.69 -2.76 12.44 10.64 -1.26 -4.68 117.38 130.24 2d9i n GLN 56 Ca 0.13 0.18 -0.43 0.00 -1.83 0.00 0.00 57.00 55.05 2d9i n GLN 56 Cb 0.61 -1.60 -0.01 0.00 -0.86 0.00 0.00 30.24 28.38 2d9i n GLN 56 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2d9i s GLY 57 N -6.01 1.95 0.27 2.61 0.00 -1.26 -4.79 107.32 100.08 2d9i s GLY 57 Ca -0.26 -3.02 0.00 0.00 0.00 0.00 0.00 44.72 41.43 2d9i s GLY 57 CO 0.69 2.38 0.00 0.61 0.00 0.00 0.00 173.10 176.79 2d9i n GLY 58 N 5.02 -5.12 0.13 0.20 0.00 -1.26 -4.96 105.19 99.20 2d9i n GLY 58 Ca 0.40 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2d9i n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d9i n VAL 59 N 1.15 1.58 -3.73 1.61 3.14 -1.26 -4.80 118.33 116.02 2d9i n VAL 59 Ca 0.00 -0.60 -0.13 0.00 -2.96 0.00 0.00 64.34 60.64 2d9i n VAL 59 Cb 0.00 -1.50 -0.14 0.00 -1.06 0.00 0.00 33.84 31.14 2d9i n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2d9i s ALA 60 N -2.53 -0.37 -2.01 1.55 0.00 -1.26 -4.98 121.76 112.15 2d9i s ALA 60 Ca -0.31 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2d9i s ALA 60 Cb 0.08 -0.58 0.30 0.00 0.00 0.00 0.00 23.12 22.93 2d9i s ALA 60 CO 0.66 -0.23 1.21 0.54 0.00 0.00 0.00 175.76 177.93 2d9i n ARG 61 N 4.38 1.13 -0.01 0.00 1.74 -1.26 -4.08 116.66 118.56 2d9i n ARG 61 Ca -0.23 -0.21 -0.00 0.00 -0.77 0.00 0.00 57.85 56.64 2d9i n ARG 61 Cb 0.52 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.85 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2d9i h ILE 62 N 0.35 0.00 -0.87 0.55 2.04 -1.95 -3.30 117.51 114.34 2d9i h ILE 62 Ca 0.00 -0.09 0.17 0.00 1.00 0.00 0.00 64.86 65.95 2d9i h ILE 62 Cb 0.08 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.99 2d9i h ILE 62 CO 0.00 0.00 -0.22 0.50 0.00 0.00 0.00 178.15 178.43 2d9i h LYS 63 N -0.09 -0.00 -0.51 2.37 3.64 -1.87 0.27 116.57 120.38 2d9i h LYS 63 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2d9i h LYS 63 Cb 0.02 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.74 2d9i h LYS 63 CO 0.00 -0.00 -0.24 -1.35 -2.27 0.00 0.00 179.45 175.59 2d9i h PRO 64 N -0.00 -0.12 0.48 1.90 0.11 -1.76 0.12 132.00 132.73 2d9i h PRO 64 Ca 0.42 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 2d9i h PRO 64 Cb 0.63 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2d9i h PRO 64 CO -0.89 -0.08 -0.23 0.00 -0.21 0.00 0.00 178.00 176.59 2d9i h ALA 65 N 1.18 -0.64 -0.74 -0.75 0.00 -1.07 -2.85 119.26 114.39 2d9i h ALA 65 Ca 0.23 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2d9i h ALA 65 Cb 0.49 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 2d9i h ALA 65 CO -0.59 -0.78 -0.04 0.28 0.00 0.00 0.00 179.25 178.12 2d9i h VAL 66 N -0.80 0.33 -0.90 0.00 2.07 -0.85 0.41 116.25 116.51 2d9i h VAL 66 Ca -0.07 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2d9i h VAL 66 Cb 0.56 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 2d9i h VAL 66 CO 0.11 0.01 0.58 0.40 0.02 0.00 0.00 177.57 178.69 2d9i h ILE 67 N 0.08 0.95 -0.15 4.57 2.04 -0.91 0.24 117.51 124.33 2d9i h ILE 67 Ca 0.39 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 2d9i h ILE 67 Cb 0.67 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2d9i h ILE 67 CO -0.68 0.16 -0.51 0.50 0.00 0.00 0.00 178.15 177.63 2d9i h LYS 68 N 0.88 0.61 -0.44 2.37 3.64 -0.06 -2.67 116.57 120.89 2d9i h LYS 68 Ca 0.42 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2d9i h LYS 68 Cb 0.44 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2d9i h LYS 68 CO -0.19 1.07 -0.04 -0.92 -2.27 0.00 0.00 179.45 177.11 2d9i h TYR 69 N 0.26 0.79 0.76 1.91 5.03 -0.07 -2.53 116.97 123.12 2d9i h TYR 69 Ca -0.02 -0.12 -0.04 0.00 2.58 0.00 0.00 58.73 61.14 2d9i h TYR 69 Cb 1.13 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 39.21 2d9i h TYR 69 CO 0.10 0.76 -0.36 -0.07 -1.32 0.00 0.00 178.16 177.27 2d9i h LEU 70 N 0.69 -0.86 -0.95 2.82 3.38 -0.56 -3.02 115.31 116.81 2d9i h LEU 70 Ca 0.13 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.36 2d9i h LEU 70 Cb 0.48 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 2d9i h LEU 70 CO 0.02 -0.51 0.50 0.40 0.09 0.00 0.00 178.44 178.94 2d9i h ILE 71 N -1.23 0.52 -0.28 1.22 2.04 -1.49 -0.19 117.51 118.10 2d9i h ILE 71 Ca -0.10 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.65 2d9i h ILE 71 Cb 0.78 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 2d9i h ILE 71 CO 0.17 0.09 -0.20 -1.28 0.00 0.00 0.00 178.15 176.93 2d9i h SER 72 N 0.51 -0.65 -0.02 1.72 0.87 -1.38 0.24 113.55 114.83 2d9i h SER 72 Ca 0.60 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.29 2d9i h SER 72 Cb 1.12 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 2d9i h SER 72 CO -0.49 -0.24 0.00 1.41 -0.53 0.00 0.00 176.83 176.98 2d9i n HIS 73 N -5.36 0.02 -3.25 2.24 8.25 -0.26 -4.89 115.22 111.98 2d9i n HIS 73 Ca -0.00 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 2d9i n HIS 73 Cb 0.27 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.44 2d9i n HIS 73 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2d9i n SER 74 N -0.66 -4.56 -4.79 0.41 2.88 0.84 -4.99 113.62 102.75 2d9i n SER 74 Ca 0.18 -0.41 -0.36 0.00 -1.33 0.00 0.00 58.87 56.96 2d9i n SER 74 Cb 0.13 -3.82 -0.07 0.00 -0.75 0.00 0.00 64.21 59.70 2d9i n SER 74 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2d9i s PHE 75 N -3.24 3.58 0.02 0.66 0.08 -0.32 -4.97 117.98 113.79 2d9i s PHE 75 Ca 0.34 1.74 -0.19 0.00 0.12 0.00 0.00 56.93 58.94 2d9i s PHE 75 Cb -0.15 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.34 2d9i s PHE 75 CO 0.53 0.12 0.54 0.50 -0.10 0.00 0.00 175.22 176.81 2d9i s ARG 76 N -2.37 4.20 -0.05 0.44 3.52 -1.26 -4.59 118.95 118.84 2d9i s ARG 76 Ca 0.54 0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 56.50 2d9i s ARG 76 Cb -0.16 -3.29 0.10 0.00 -1.56 0.00 0.00 34.95 30.05 2d9i s ARG 76 CO 0.21 0.52 0.88 -0.59 -0.81 0.00 0.00 175.30 175.50 2d9i s PHE 77 N -0.64 -0.40 -0.16 5.12 -0.71 -1.26 -2.05 117.98 117.88 2d9i s PHE 77 Ca 0.28 0.45 -0.11 0.00 -1.04 0.00 0.00 56.93 56.51 2d9i s PHE 77 Cb -0.18 0.50 0.05 0.00 -1.21 0.00 0.00 43.02 42.18 2d9i s PHE 77 CO 0.17 -0.51 0.40 0.45 -1.34 0.00 0.00 175.22 174.38 2d9i s SER 78 N -1.95 -0.47 -0.58 1.98 0.15 -1.09 -5.01 113.70 106.73 2d9i s SER 78 Ca 0.01 0.84 -0.28 0.00 0.70 0.00 0.00 55.95 57.22 2d9i s SER 78 Cb -0.01 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.09 2d9i s SER 78 CO -0.04 -0.17 1.36 -0.70 1.20 0.00 0.00 173.24 174.89 2d9i s GLU 79 N 0.95 3.33 -0.17 5.44 2.12 -1.26 -3.60 118.70 125.52 2d9i s GLU 79 Ca -0.06 0.36 0.17 0.00 0.36 0.00 0.00 54.97 55.81 2d9i s GLU 79 Cb -0.06 -4.11 -0.24 0.00 0.26 0.00 0.00 34.13 29.98 2d9i s GLU 79 CO -0.08 -1.90 0.10 0.44 -0.54 0.00 0.00 175.26 173.28 2d9i n ILE 80 N 6.79 1.16 -4.06 -3.70 -5.35 -1.26 -5.00 119.36 107.94 2d9i n ILE 80 Ca 0.11 -0.77 -0.11 0.00 -0.27 0.00 0.00 62.75 61.71 2d9i n ILE 80 Cb 0.49 -0.44 -0.11 0.00 -1.74 0.00 0.00 39.64 37.84 2d9i n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2d9i s LYS 81 N -2.55 0.53 -0.88 6.28 -0.14 -1.26 -5.07 119.74 116.64 2d9i s LYS 81 Ca -0.09 -0.86 -0.25 0.00 -1.36 0.00 0.00 55.97 53.41 2d9i s LYS 81 Cb 0.06 -0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 36.05 2d9i s LYS 81 CO 0.78 -0.00 1.94 -1.25 -0.76 0.00 0.00 175.35 176.06 2d9i s PRO 82 N -2.16 2.57 0.00 -1.68 0.04 -1.26 -2.00 135.00 130.50 2d9i s PRO 82 Ca -0.06 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.74 2d9i s PRO 82 Cb -0.06 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2d9i s PRO 82 CO -0.02 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.10 2d9i n GLY 83 N 6.78 1.19 3.10 0.56 0.00 -1.24 -3.30 105.19 112.29 2d9i n GLY 83 Ca 0.39 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 2d9i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9i s LEU 85 N 0.34 3.17 -0.57 0.00 1.43 -0.01 -4.15 118.68 118.88 2d9i s LEU 85 Ca -0.11 -1.19 -0.21 0.00 -1.03 0.00 0.00 54.13 51.59 2d9i s LEU 85 Cb -0.14 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.60 2d9i s LEU 85 CO 0.04 -0.15 0.77 -0.75 0.23 0.00 0.00 176.35 176.49 2d9i s LYS 86 N 1.17 3.13 -0.37 1.70 2.20 -1.24 -2.29 119.74 124.04 2d9i s LYS 86 Ca -0.05 -0.90 -0.13 0.00 -0.36 0.00 0.00 55.97 54.53 2d9i s LYS 86 Cb -0.18 -4.17 0.01 0.00 -1.51 0.00 0.00 37.83 31.98 2d9i s LYS 86 CO -0.06 -1.49 0.24 0.08 -0.36 0.00 0.00 175.35 173.76 2d9i s VAL 87 N 3.17 4.99 -0.23 4.02 1.01 -0.96 -2.67 120.40 129.73 2d9i s VAL 87 Ca 0.18 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2d9i s VAL 87 Cb -0.19 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2d9i s VAL 87 CO 0.11 -0.15 1.62 -0.04 0.00 0.00 0.00 175.10 176.63 2d9i s MET 88 N 1.65 3.76 -0.12 2.72 1.00 -0.87 -1.72 119.30 125.72 2d9i s MET 88 Ca 0.04 1.62 -0.29 0.00 0.00 0.00 0.00 55.69 57.07 2d9i s MET 88 Cb -0.18 -4.04 -0.05 0.00 0.00 0.00 0.00 34.83 30.55 2d9i s MET 88 CO 0.09 -1.33 1.86 -0.51 0.00 0.00 0.00 175.02 175.12 2d9i s LEU 89 N 5.29 4.01 -0.03 -0.03 1.43 0.54 -4.48 118.68 125.42 2d9i s LEU 89 Ca 0.71 2.07 0.03 0.00 -1.03 0.00 0.00 54.13 55.91 2d9i s LEU 89 Cb -0.24 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2d9i s LEU 89 CO 0.29 -1.31 -0.09 -1.59 0.23 0.00 0.00 176.35 173.88 2d9i s LYS 90 N 4.90 2.56 0.28 1.70 0.00 -1.26 -4.79 119.74 123.13 2d9i s LYS 90 Ca 0.83 -0.69 0.01 0.00 0.00 0.00 0.00 55.97 56.12 2d9i s LYS 90 Cb -0.33 -2.48 0.68 0.00 0.00 0.00 0.00 37.83 35.70 2d9i s LYS 90 CO 0.34 0.62 1.64 0.66 0.00 0.00 0.00 175.35 178.61 2d9i h SER 91 N 4.91 -0.10 -0.50 0.03 4.64 -1.99 -3.41 113.55 117.13 2d9i h SER 91 Ca -0.48 0.21 -0.67 0.00 -0.47 0.00 0.00 61.79 60.38 2d9i h SER 91 Cb 1.16 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 2d9i h SER 91 CO 0.52 -0.18 0.73 0.61 -0.87 0.00 0.00 176.83 177.64 2d9i n GLY 92 N -1.39 0.05 3.77 -0.77 0.00 -1.26 -4.84 105.19 100.74 2d9i n GLY 92 Ca 0.20 0.83 -0.38 0.00 0.00 0.00 0.00 46.02 46.67 2d9i n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9i s PRO 93 N 3.27 4.04 0.02 1.61 0.04 -1.26 -4.98 135.00 137.74 2d9i s PRO 93 Ca 0.88 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 63.54 2d9i s PRO 93 Cb -1.19 -2.68 -0.17 0.00 0.04 0.00 0.00 34.50 30.50 2d9i s PRO 93 CO 0.60 -0.35 1.36 0.77 0.04 0.00 0.00 177.00 179.42 2d9i h SER 94 N 2.63 -0.32 -3.49 6.66 0.02 -1.94 -3.40 113.55 113.72 2d9i h SER 94 Ca -0.49 -0.16 -0.57 0.00 -0.84 0.00 0.00 61.79 59.74 2d9i h SER 94 Cb 1.24 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.79 2d9i h SER 94 CO 0.62 -0.01 0.93 -0.44 -1.14 0.00 0.00 176.83 176.79 2d9i s SER 95 N -5.07 6.69 0.00 3.07 0.01 -1.26 -5.01 113.70 112.12 2d9i s SER 95 Ca -0.15 0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2d9i s SER 95 Cb 0.03 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2d9i s SER 95 CO 0.58 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.69