#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 -0.23 -0.06 1.61 0.15 -1.26 -5.09 113.70 108.83 2d9i s SER 2 Ca 0.00 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.63 2d9i s SER 2 Cb 0.00 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2d9i s SER 2 CO 0.00 -0.53 0.33 -1.28 1.20 0.00 0.00 173.24 172.96 2d9i h SER 3 N 3.51 -0.24 -4.15 5.45 0.87 -2.09 -3.51 113.55 113.39 2d9i h SER 3 Ca -0.30 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2d9i h SER 3 Cb 1.18 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2d9i h SER 3 CO 0.42 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 2d9i n GLY 4 N 1.05 -1.94 0.09 5.77 0.00 -1.26 -4.83 105.19 104.07 2d9i n GLY 4 Ca -0.03 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 2d9i n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d9i h SER 5 N 0.00 -0.07 -3.75 1.61 0.87 -2.09 -3.45 113.55 106.66 2d9i h SER 5 Ca 0.00 -0.56 -0.49 0.00 -1.23 0.00 0.00 61.79 59.51 2d9i h SER 5 Cb 0.00 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2d9i h SER 5 CO 0.00 0.59 0.12 -0.94 -0.53 0.00 0.00 176.83 176.07 2d9i s SER 6 N -5.75 6.75 0.24 6.23 1.04 -1.26 -5.08 113.70 115.87 2d9i s SER 6 Ca -0.15 1.29 0.04 0.00 0.48 0.00 0.00 55.95 57.62 2d9i s SER 6 Cb -0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 2d9i s SER 6 CO 0.57 -0.25 0.38 -0.83 0.98 0.00 0.00 173.24 174.09 2d9i s GLY 7 N -2.39 1.27 0.27 7.32 0.00 -1.26 -5.01 107.32 107.52 2d9i s GLY 7 Ca 0.54 -1.17 0.14 0.00 0.00 0.00 0.00 44.72 44.23 2d9i s GLY 7 CO 0.19 -1.18 1.48 0.06 0.00 0.00 0.00 173.10 173.65 2d9i h GLN 8 N 1.22 0.00 -0.71 2.90 3.07 -1.98 -3.23 115.11 116.38 2d9i h GLN 8 Ca -0.51 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.28 2d9i h GLN 8 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.74 2d9i h GLN 8 CO 0.62 0.57 0.46 -0.91 0.09 0.00 0.00 178.83 179.66 2d9i h ASN 9 N 0.00 0.68 -3.40 0.06 4.21 -1.95 -3.40 115.58 111.78 2d9i h ASN 9 Ca -0.01 -0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.91 2d9i h ASN 9 Cb 1.35 -0.15 -0.09 0.00 -1.12 0.00 0.00 38.32 38.31 2d9i h ASN 9 CO 0.07 0.45 0.09 0.54 -1.29 0.00 0.00 177.43 177.30 2d9i s VAL 10 N -5.69 5.04 -0.39 2.81 0.11 -1.22 -4.02 120.40 117.04 2d9i s VAL 10 Ca -0.10 1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 60.04 2d9i s VAL 10 Cb 0.19 -3.94 0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2d9i s VAL 10 CO 0.77 0.14 0.22 -0.22 -3.33 0.00 0.00 175.10 172.68 2d9i s LEU 11 N 1.69 4.83 -0.36 2.54 2.96 -0.63 -4.85 118.68 124.86 2d9i s LEU 11 Ca 0.29 -1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 52.77 2d9i s LEU 11 Cb -0.16 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.52 2d9i s LEU 11 CO 0.11 -0.43 1.43 1.51 -1.32 0.00 0.00 176.35 177.66 2d9i s ASP 12 N 1.71 6.38 0.03 3.68 -4.77 -1.26 -3.18 116.67 119.25 2d9i s ASP 12 Ca 0.02 1.02 0.13 0.00 -3.30 0.00 0.00 52.55 50.42 2d9i s ASP 12 Cb -0.20 -2.54 -0.18 0.00 -1.09 0.00 0.00 42.92 38.91 2d9i s ASP 12 CO 0.05 -1.36 0.83 -0.07 0.70 0.00 0.00 175.17 175.33 2d9i h LEU 13 N 11.97 0.00 -9.34 2.11 3.38 -1.12 -3.47 115.31 118.84 2d9i h LEU 13 Ca -0.28 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.05 2d9i h LEU 13 Cb 1.11 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.90 2d9i h LEU 13 CO 1.06 0.85 0.78 1.57 0.09 0.00 0.00 178.44 182.79 2d9i n HIS 14 N -3.05 2.05 0.00 1.13 -0.00 -1.15 -2.08 115.22 112.12 2d9i n HIS 14 Ca -0.11 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.42 2d9i n HIS 14 Cb 0.96 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 28.33 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 3.49 1.98 3.96 1.57 0.00 -1.26 -4.98 105.19 109.95 2d9i n GLY 15 Ca 0.20 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 2.88 0.08 0.99 1.43 -0.88 -5.07 118.68 118.10 2d9i s LEU 16 Ca 0.00 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 2d9i s LEU 16 Cb 0.00 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.79 2d9i s LEU 16 CO 0.00 -2.03 0.53 -2.28 0.23 0.00 0.00 176.35 172.80 2d9i s HIS 17 N -3.37 3.73 0.23 0.29 5.65 -1.26 -4.79 115.29 115.77 2d9i s HIS 17 Ca 0.67 1.14 0.06 0.00 0.25 0.00 0.00 55.06 57.18 2d9i s HIS 17 Cb -0.06 -2.41 0.68 0.00 -1.18 0.00 0.00 32.58 29.60 2d9i s HIS 17 CO 0.47 0.55 1.11 0.28 -0.65 0.00 0.00 174.74 176.50 2d9i n VAL 18 N 1.45 -0.30 -0.04 0.89 0.31 -1.26 0.20 118.33 119.58 2d9i n VAL 18 Ca -0.10 1.52 -0.12 0.00 -0.01 0.00 0.00 64.34 65.64 2d9i n VAL 18 Cb 0.51 -2.30 -0.06 0.00 -0.91 0.00 0.00 33.84 31.09 2d9i n VAL 18 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2d9i h ASP 19 N 0.00 0.23 0.77 4.52 3.58 -1.97 -2.29 116.42 121.25 2d9i h ASP 19 Ca 0.49 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 2d9i h ASP 19 Cb 1.11 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.11 2d9i h ASP 19 CO -0.63 0.42 -0.37 -0.33 -2.88 0.00 0.00 179.24 175.45 2d9i h GLU 20 N 0.02 -0.99 -0.70 0.28 3.07 0.18 -2.70 114.58 113.75 2d9i h GLU 20 Ca 0.04 0.07 0.13 0.00 -0.50 0.00 0.00 59.36 59.10 2d9i h GLU 20 Cb 0.29 0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 28.29 2d9i h GLU 20 CO 0.00 -0.64 -0.28 0.00 -1.40 0.00 0.00 179.01 176.69 2d9i h ALA 21 N -1.01 0.20 0.01 3.43 0.00 -0.82 -1.81 119.26 119.26 2d9i h ALA 21 Ca -0.11 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2d9i h ALA 21 Cb 0.81 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2d9i h ALA 21 CO 0.17 -0.56 -0.36 -0.07 0.00 0.00 0.00 179.25 178.43 2d9i h LEU 22 N -0.08 -1.11 -0.95 0.00 3.38 -1.38 0.76 115.31 115.93 2d9i h LEU 22 Ca 0.30 0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.68 2d9i h LEU 22 Cb 0.56 0.42 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 2d9i h LEU 22 CO -0.75 -0.36 0.25 -0.33 0.09 0.00 0.00 178.44 177.34 2d9i h GLU 23 N -0.46 0.10 -0.59 1.13 5.08 -1.02 0.74 114.58 119.56 2d9i h GLU 23 Ca 0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2d9i h GLU 23 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2d9i h GLU 23 CO -0.24 0.07 0.07 0.45 -1.00 0.00 0.00 179.01 178.37 2d9i h HIS 24 N 0.11 1.06 0.00 4.33 3.86 -0.47 -0.48 115.15 123.56 2d9i h HIS 24 Ca 0.64 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.67 2d9i h HIS 24 Cb 1.42 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 2d9i h HIS 24 CO -0.28 0.93 -0.11 1.25 0.86 0.00 0.00 177.93 180.58 2d9i h LEU 25 N 0.89 0.00 0.14 2.43 5.85 0.28 0.30 115.31 125.20 2d9i h LEU 25 Ca 0.18 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.63 2d9i h LEU 25 Cb 0.45 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.49 2d9i h LEU 25 CO 0.02 0.11 -1.27 0.24 -0.34 0.00 0.00 178.44 177.19 2d9i h MET 26 N 0.00 0.30 -0.36 1.25 2.86 -0.71 -2.70 114.93 115.57 2d9i h MET 26 Ca -0.00 -0.52 -0.14 0.00 -2.06 0.00 0.00 59.70 56.97 2d9i h MET 26 Cb 0.22 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2d9i h MET 26 CO 0.01 1.25 -0.36 0.00 1.06 0.00 0.00 176.91 178.88 2d9i h ARG 27 N -0.24 0.82 -0.00 1.72 2.47 -0.81 -3.01 114.38 115.33 2d9i h ARG 27 Ca -0.26 -0.41 -0.14 0.00 -1.26 0.00 0.00 59.98 57.91 2d9i h ARG 27 Cb 1.80 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.10 2d9i h ARG 27 CO 0.12 1.05 -0.67 -0.39 0.56 0.00 0.00 179.97 180.63 2d9i h VAL 28 N 0.68 1.48 -0.00 2.04 -1.51 -0.55 0.20 116.25 118.59 2d9i h VAL 28 Ca 0.06 -2.29 -0.05 0.00 -1.23 0.00 0.00 66.70 63.19 2d9i h VAL 28 Cb 0.92 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 32.31 2d9i h VAL 28 CO 0.08 0.66 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.79 2d9i h LEU 29 N 0.00 0.01 0.04 4.19 3.38 -1.35 0.48 115.31 122.07 2d9i h LEU 29 Ca -0.01 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 2d9i h LEU 29 Cb 1.19 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 2d9i h LEU 29 CO 0.09 0.23 -2.24 -0.62 0.09 0.00 0.00 178.44 175.99 2d9i n GLU 30 N -4.27 0.69 0.01 1.13 1.02 -1.15 -3.46 120.64 114.61 2d9i n GLU 30 Ca -0.02 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 2d9i n GLU 30 Cb 0.28 -1.61 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.02 0.53 0.26 3.49 3.64 -0.88 -2.73 116.57 120.90 2d9i h LYS 31 Ca -0.50 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 58.52 2d9i h LYS 31 Cb 2.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 2d9i h LYS 31 CO -0.00 0.96 -0.13 0.87 -2.27 0.00 0.00 179.45 178.89 2d9i h LYS 32 N 0.40 -0.34 -0.82 1.90 1.79 -0.23 -3.21 116.57 116.05 2d9i h LYS 32 Ca -0.00 0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.73 2d9i h LYS 32 Cb 1.14 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 2d9i h LYS 32 CO 0.11 -0.01 0.59 0.00 -1.08 0.00 0.00 179.45 179.05 2d9i h THR 33 N -0.96 0.60 0.15 -0.16 1.03 -1.65 -1.22 112.91 110.70 2d9i h THR 33 Ca -0.04 -0.01 0.01 0.00 -0.01 0.00 0.00 66.41 66.36 2d9i h THR 33 Cb 0.48 0.56 -0.02 0.00 -1.07 0.00 0.00 68.15 68.09 2d9i h THR 33 CO 0.06 0.01 -0.21 -0.33 -0.01 0.00 0.00 175.52 175.03 2d9i h GLU 34 N 0.04 -0.41 0.00 0.00 4.39 -1.48 -1.49 114.58 115.63 2d9i h GLU 34 Ca 0.40 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 2d9i h GLU 34 Cb 1.52 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2d9i h GLU 34 CO -0.02 -0.27 -0.16 1.05 -1.16 0.00 0.00 179.01 178.45 2d9i h GLU 35 N -0.42 0.00 -0.47 2.33 4.11 -1.31 0.26 114.58 119.08 2d9i h GLU 35 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.35 2d9i h GLU 35 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2d9i h GLU 35 CO -0.09 0.16 -0.07 0.35 0.07 0.00 0.00 179.01 179.43 2d9i h PHE 36 N 0.00 0.97 0.08 2.06 3.57 -0.70 0.43 116.94 123.35 2d9i h PHE 36 Ca -0.00 -0.19 -0.34 0.00 3.53 0.00 0.00 57.97 60.96 2d9i h PHE 36 Cb 0.59 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2d9i h PHE 36 CO 0.00 0.94 -1.93 1.63 -2.23 0.00 0.00 178.31 176.72 2d9i n LYS 37 N -4.28 0.71 0.14 1.11 5.02 -0.64 -2.83 118.16 117.38 2d9i n LYS 37 Ca 0.00 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2d9i n LYS 37 Cb 0.36 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.04 -0.40 0.00 1.97 1.08 -0.54 -3.42 115.11 113.85 2d9i h GLN 38 Ca -0.39 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 2d9i h GLN 38 Cb 2.03 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.55 2d9i h GLN 38 CO 0.08 -0.08 -0.12 -0.91 -0.95 0.00 0.00 178.83 176.84 2d9i h ASN 39 N -0.97 0.00 0.00 1.46 2.35 -0.83 -3.50 115.58 114.10 2d9i h ASN 39 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2d9i h ASN 39 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2d9i h ASN 39 CO 0.07 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.65 2d9i n GLY 40 N 1.73 3.32 0.00 2.83 0.00 0.12 -4.98 105.19 108.20 2d9i n GLY 40 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 2.46 3.76 -0.02 0.00 -1.19 -4.89 105.19 105.31 2d9i n GLY 41 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.73 4.17 0.00 1.61 1.02 -1.26 -4.87 119.74 118.68 2d9i s LYS 42 Ca 0.00 2.48 0.15 0.00 0.02 0.00 0.00 55.97 58.62 2d9i s LYS 42 Cb 0.00 -3.03 0.88 0.00 -0.52 0.00 0.00 37.83 35.16 2d9i s LYS 42 CO 0.00 -0.51 1.36 -0.35 -0.92 0.00 0.00 175.35 174.93 2d9i n PRO 43 N 1.61 0.41 -4.44 -1.68 -0.04 -1.26 -4.74 135.00 124.87 2d9i n PRO 43 Ca 0.05 0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2d9i n PRO 43 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.15 1.97 -0.03 0.54 1.13 -1.26 -0.01 117.35 117.54 2d9i s TYR 44 Ca 0.21 -0.75 0.02 0.00 -1.41 0.00 0.00 57.07 55.14 2d9i s TYR 44 Cb 0.11 -1.17 0.01 0.00 -1.10 0.00 0.00 41.96 39.80 2d9i s TYR 44 CO 0.19 0.23 -0.09 -1.17 -2.51 0.00 0.00 175.55 172.21 2d9i s LEU 45 N -3.46 1.72 -0.38 -3.49 2.96 0.18 -4.86 118.68 111.35 2d9i s LEU 45 Ca 0.31 -0.20 -0.25 0.00 -0.22 0.00 0.00 54.13 53.78 2d9i s LEU 45 Cb 0.05 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 46.18 2d9i s LEU 45 CO 0.13 0.05 0.88 -0.44 -1.32 0.00 0.00 176.35 175.64 2d9i s SER 46 N 0.32 6.61 -0.33 3.68 0.01 -1.26 -2.64 113.70 120.09 2d9i s SER 46 Ca -0.05 0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.64 2d9i s SER 46 Cb -0.10 -2.44 0.08 0.00 0.21 0.00 0.00 66.02 63.77 2d9i s SER 46 CO 0.01 -0.84 0.06 -0.69 0.41 0.00 0.00 173.24 172.18 2d9i s VAL 47 N 3.38 2.89 -0.47 3.43 1.01 -0.31 -1.60 120.40 128.72 2d9i s VAL 47 Ca 0.36 -1.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.40 2d9i s VAL 47 Cb -0.12 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.48 2d9i s VAL 47 CO 0.19 -0.35 0.55 -0.63 0.00 0.00 0.00 175.10 174.87 2d9i s ILE 48 N 1.15 4.96 -0.12 2.22 1.01 -1.19 -1.09 121.20 128.15 2d9i s ILE 48 Ca 0.01 -0.43 0.15 0.00 0.00 0.00 0.00 60.65 60.38 2d9i s ILE 48 Cb -0.21 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 2d9i s ILE 48 CO -0.03 -0.65 1.15 0.71 0.00 0.00 0.00 174.94 176.12 2d9i h THR 49 N 5.82 0.78 -1.91 2.92 1.35 -1.88 0.91 112.91 120.89 2d9i h THR 49 Ca -0.27 -2.23 -0.33 0.00 -0.55 0.00 0.00 66.41 63.03 2d9i h THR 49 Cb 1.10 2.29 -0.30 0.00 -1.73 0.00 0.00 68.15 69.51 2d9i h THR 49 CO 0.90 0.44 -0.65 -0.83 -0.25 0.00 0.00 175.52 175.13 2d9i s GLY 50 N -4.63 -0.17 0.44 5.82 0.00 -1.23 -3.36 107.32 104.20 2d9i s GLY 50 Ca 0.01 -0.67 0.13 0.00 0.00 0.00 0.00 44.72 44.19 2d9i s GLY 50 CO 0.78 2.80 2.01 0.07 0.00 0.00 0.00 173.10 178.76 2d9i h ARG 51 N 7.40 0.08 -6.52 2.90 -0.00 -1.84 -3.43 114.38 112.97 2d9i h ARG 51 Ca 0.00 -0.01 -0.60 0.00 -0.00 0.00 0.00 59.98 59.37 2d9i h ARG 51 Cb 1.07 -0.01 0.11 0.00 -0.00 0.00 0.00 29.97 31.14 2d9i h ARG 51 CO 0.23 0.20 0.22 0.41 -0.00 0.00 0.00 179.97 181.03 2d9i n GLY 52 N -1.10 -0.06 3.63 0.08 0.00 -1.26 -4.96 105.19 101.52 2d9i n GLY 52 Ca -0.02 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.46 1.20 0.07 1.61 4.22 -1.26 -4.92 114.94 115.40 2d9i s ASN 53 Ca 0.59 0.63 -0.32 0.00 -2.14 0.00 0.00 52.86 51.62 2d9i s ASN 53 Cb -0.68 -0.88 -0.19 0.00 1.28 0.00 0.00 41.25 40.78 2d9i s ASN 53 CO 0.60 -3.95 1.63 -0.74 -2.04 0.00 0.00 177.10 172.60 2d9i h HIS 54 N -2.46 -0.81 -0.76 1.54 -0.00 -1.94 -3.00 115.15 107.72 2d9i h HIS 54 Ca -0.45 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.04 2d9i h HIS 54 Cb 1.29 0.27 -0.14 0.00 -0.00 0.00 0.00 27.41 28.83 2d9i h HIS 54 CO -1.91 -0.50 -0.23 0.45 -0.00 0.00 0.00 177.93 175.74 2d9i n SER 55 N -5.46 -0.36 -0.18 3.26 2.88 -1.26 0.52 113.62 113.02 2d9i n SER 55 Ca -0.13 1.32 -0.08 0.00 -1.33 0.00 0.00 58.87 58.64 2d9i n SER 55 Cb 0.35 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 2d9i n SER 55 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2d9i h GLN 56 N 0.00 -0.24 0.00 -1.46 4.20 -1.89 -3.48 115.11 112.24 2d9i h GLN 56 Ca 0.33 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.05 2d9i h GLN 56 Cb 0.52 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2d9i h GLN 56 CO -0.77 -0.16 0.00 0.41 -0.67 0.00 0.00 178.83 177.63 2d9i n GLY 57 N -1.41 3.58 0.00 3.46 0.00 0.18 -5.10 105.19 105.90 2d9i n GLY 57 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2d9i n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 58 N -0.89 0.40 3.04 -0.02 0.00 -1.26 -4.88 105.19 101.59 2d9i n GLY 58 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2d9i n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d9i n VAL 59 N 0.00 -2.14 -3.74 1.61 0.31 -1.26 -5.00 118.33 108.12 2d9i n VAL 59 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 2d9i n VAL 59 Cb 0.00 -3.34 -0.06 0.00 -0.91 0.00 0.00 33.84 29.53 2d9i n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d9i s ALA 60 N -3.18 3.82 -1.43 3.52 0.00 -1.26 -4.98 121.76 118.24 2d9i s ALA 60 Ca 0.39 -0.51 0.13 0.00 0.00 0.00 0.00 51.96 51.98 2d9i s ALA 60 Cb -0.17 -2.11 0.05 0.00 0.00 0.00 0.00 23.12 20.88 2d9i s ALA 60 CO 0.48 0.59 0.83 -2.13 0.00 0.00 0.00 175.76 175.54 2d9i n ARG 61 N 1.62 1.42 -0.03 0.00 3.00 -1.26 -4.58 116.66 116.83 2d9i n ARG 61 Ca -0.15 -0.99 -0.01 0.00 -0.00 0.00 0.00 57.85 56.70 2d9i n ARG 61 Cb 0.54 -1.22 -0.00 0.00 0.00 0.00 0.00 32.46 31.78 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2d9i h ILE 62 N 2.03 0.00 -0.93 5.15 2.04 -1.94 -3.29 117.51 120.57 2d9i h ILE 62 Ca 0.00 -0.60 0.18 0.00 1.00 0.00 0.00 64.86 65.44 2d9i h ILE 62 Cb 0.50 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.41 2d9i h ILE 62 CO 0.00 0.00 -0.27 0.50 0.00 0.00 0.00 178.15 178.38 2d9i h LYS 63 N -0.60 -0.01 -0.23 2.37 3.64 -1.86 -0.82 116.57 119.06 2d9i h LYS 63 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2d9i h LYS 63 Cb 0.06 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 2d9i h LYS 63 CO 0.00 -0.01 -0.52 -1.35 -2.27 0.00 0.00 179.45 175.31 2d9i h PRO 64 N -0.01 -0.48 -0.01 1.90 0.11 -1.81 -2.24 132.00 129.46 2d9i h PRO 64 Ca 0.42 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.59 2d9i h PRO 64 Cb 0.66 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.82 2d9i h PRO 64 CO -0.95 -0.32 -0.43 0.00 -0.21 0.00 0.00 178.00 176.08 2d9i h ALA 65 N -0.09 -0.70 -0.96 -0.75 0.00 -1.24 -1.91 119.26 113.62 2d9i h ALA 65 Ca 0.06 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.14 2d9i h ALA 65 Cb 0.65 0.77 -0.18 0.00 0.00 0.00 0.00 17.79 19.02 2d9i h ALA 65 CO -0.49 -0.97 -0.16 0.28 0.00 0.00 0.00 179.25 177.91 2d9i h VAL 66 N -0.58 0.05 -0.57 0.00 2.07 -1.04 0.61 116.25 116.78 2d9i h VAL 66 Ca 0.05 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 2d9i h VAL 66 Cb 0.66 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2d9i h VAL 66 CO -0.33 0.00 0.27 0.40 0.02 0.00 0.00 177.57 177.93 2d9i h ILE 67 N 0.01 0.89 -0.56 4.57 2.04 -0.77 0.15 117.51 123.84 2d9i h ILE 67 Ca 0.49 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 2d9i h ILE 67 Cb 0.83 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2d9i h ILE 67 CO -0.96 0.09 0.26 0.50 0.00 0.00 0.00 178.15 178.05 2d9i h LYS 68 N 0.51 0.81 -0.47 2.37 3.64 0.48 -1.51 116.57 122.39 2d9i h LYS 68 Ca 0.27 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2d9i h LYS 68 Cb 0.23 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2d9i h LYS 68 CO -0.21 0.67 0.10 -0.92 -2.27 0.00 0.00 179.45 176.81 2d9i h TYR 69 N 0.75 0.81 0.59 1.91 5.03 -0.37 -2.41 116.97 123.28 2d9i h TYR 69 Ca 0.19 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 2d9i h TYR 69 Cb 0.13 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.19 2d9i h TYR 69 CO -0.00 0.75 -0.30 -0.07 -1.32 0.00 0.00 178.16 177.22 2d9i h LEU 70 N 0.65 -0.71 -0.67 2.82 3.38 -0.51 -2.70 115.31 117.57 2d9i h LEU 70 Ca 0.15 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.28 2d9i h LEU 70 Cb 0.36 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 2d9i h LEU 70 CO 0.01 -0.50 0.14 0.40 0.09 0.00 0.00 178.44 178.58 2d9i h ILE 71 N -0.81 0.57 -0.40 1.22 2.04 -1.27 0.24 117.51 119.09 2d9i h ILE 71 Ca -0.08 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.78 2d9i h ILE 71 Cb 0.63 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 2d9i h ILE 71 CO 0.12 0.05 -0.16 0.28 0.00 0.00 0.00 178.15 178.44 2d9i h SER 72 N 0.25 -0.55 -0.10 1.72 0.02 -1.23 0.42 113.55 114.08 2d9i h SER 72 Ca 0.36 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2d9i h SER 72 Cb 0.58 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2d9i h SER 72 CO -0.46 -0.19 0.00 1.41 -1.14 0.00 0.00 176.83 176.44 2d9i n HIS 73 N -5.35 0.14 -3.61 3.45 8.25 -0.54 -4.88 115.22 112.67 2d9i n HIS 73 Ca 0.02 -0.07 -0.21 0.00 -0.26 0.00 0.00 57.72 57.20 2d9i n HIS 73 Cb 0.26 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.43 2d9i n HIS 73 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2d9i n SER 74 N -0.20 -2.77 -4.76 0.41 7.64 0.15 -4.96 113.62 109.13 2d9i n SER 74 Ca 0.04 -0.70 -0.39 0.00 1.01 0.00 0.00 58.87 58.83 2d9i n SER 74 Cb 0.09 -4.59 -0.06 0.00 -1.01 0.00 0.00 64.21 58.64 2d9i n SER 74 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2d9i s PHE 75 N -3.45 3.67 0.05 1.43 0.08 0.68 -4.98 117.98 115.47 2d9i s PHE 75 Ca 0.18 1.19 -0.19 0.00 0.12 0.00 0.00 56.93 58.23 2d9i s PHE 75 Cb -0.08 -2.62 -0.06 0.00 -0.57 0.00 0.00 43.02 39.69 2d9i s PHE 75 CO 0.77 0.34 0.56 0.50 -0.10 0.00 0.00 175.22 177.29 2d9i s ARG 76 N -0.13 4.21 0.17 0.44 6.06 -1.26 -4.50 118.95 123.94 2d9i s ARG 76 Ca 0.31 0.71 -0.21 0.00 -2.50 0.00 0.00 55.73 54.05 2d9i s ARG 76 Cb -0.18 -3.26 0.05 0.00 0.06 0.00 0.00 34.95 31.62 2d9i s ARG 76 CO 0.17 0.58 0.56 -0.59 -2.50 0.00 0.00 175.30 173.52 2d9i s PHE 77 N -0.90 -0.38 -0.06 5.12 -0.71 -1.26 -1.76 117.98 118.03 2d9i s PHE 77 Ca 0.29 0.10 -0.02 0.00 -1.04 0.00 0.00 56.93 56.26 2d9i s PHE 77 Cb -0.19 0.49 0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2d9i s PHE 77 CO 0.18 -0.87 0.11 -1.12 -1.34 0.00 0.00 175.22 172.18 2d9i s SER 78 N -2.80 0.72 -0.54 1.98 0.01 -0.83 -5.00 113.70 107.24 2d9i s SER 78 Ca 0.04 0.21 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 2d9i s SER 78 Cb -0.01 0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 2d9i s SER 78 CO -0.09 -0.22 1.60 -0.70 0.41 0.00 0.00 173.24 174.23 2d9i s GLU 79 N 1.99 3.11 -0.11 12.44 -6.30 -1.26 -3.62 118.70 124.95 2d9i s GLU 79 Ca 0.01 0.64 0.17 0.00 -2.50 0.00 0.00 54.97 53.29 2d9i s GLU 79 Cb -0.12 -4.21 -0.24 0.00 0.00 0.00 0.00 34.13 29.56 2d9i s GLU 79 CO -0.04 -2.15 0.36 0.44 0.02 0.00 0.00 175.26 173.88 2d9i n ILE 80 N 7.04 1.30 -4.22 -3.70 -5.35 -1.26 -4.97 119.36 108.20 2d9i n ILE 80 Ca 0.16 -0.79 -0.19 0.00 -0.27 0.00 0.00 62.75 61.66 2d9i n ILE 80 Cb 0.50 -0.61 -0.11 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.66 0.96 0.00 6.28 1.02 -1.26 -5.02 119.74 119.06 2d9i s LYS 81 Ca -0.08 -1.13 0.11 0.00 0.02 0.00 0.00 55.97 54.89 2d9i s LYS 81 Cb 0.08 -0.91 0.64 0.00 -0.52 0.00 0.00 37.83 37.12 2d9i s LYS 81 CO 0.83 0.19 1.08 -0.35 -0.92 0.00 0.00 175.35 176.18 2d9i n PRO 82 N 0.83 0.49 -0.70 -1.68 -0.04 -1.26 -2.72 135.00 129.92 2d9i n PRO 82 Ca -0.18 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2d9i n PRO 82 Cb 0.56 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 2d9i n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9i n GLY 83 N -0.02 0.74 3.11 0.55 0.00 -1.26 -5.02 105.19 103.29 2d9i n GLY 83 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.62 1.11 -0.32 0.00 1.43 -0.25 -4.22 118.68 113.81 2d9i s LEU 85 Ca 0.02 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2d9i s LEU 85 Cb 0.04 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.16 2d9i s LEU 85 CO -0.08 -0.12 0.10 -0.75 0.23 0.00 0.00 176.35 175.73 2d9i s LYS 86 N 1.05 2.86 -0.12 1.70 2.20 -1.24 -1.17 119.74 125.03 2d9i s LYS 86 Ca -0.09 -1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 54.49 2d9i s LYS 86 Cb -0.13 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2d9i s LYS 86 CO -0.03 -0.56 -0.10 0.08 -0.36 0.00 0.00 175.35 174.38 2d9i s VAL 87 N 1.46 3.37 0.01 4.02 1.01 -1.08 -1.97 120.40 127.23 2d9i s VAL 87 Ca 0.01 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 2d9i s VAL 87 Cb -0.18 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2d9i s VAL 87 CO 0.03 0.53 0.78 -0.04 0.00 0.00 0.00 175.10 176.40 2d9i s MET 88 N 0.08 4.49 -0.46 2.72 1.00 -0.72 -0.64 119.30 125.77 2d9i s MET 88 Ca -0.04 1.06 -0.29 0.00 0.00 0.00 0.00 55.69 56.43 2d9i s MET 88 Cb -0.14 -3.40 0.02 0.00 0.00 0.00 0.00 34.83 31.31 2d9i s MET 88 CO 0.04 0.18 1.33 -0.51 0.00 0.00 0.00 175.02 176.06 2d9i s LEU 89 N 0.32 3.57 1.24 -0.03 1.43 0.99 -4.63 118.68 121.57 2d9i s LEU 89 Ca 0.40 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 53.98 2d9i s LEU 89 Cb -0.20 -3.47 0.32 0.00 0.03 0.00 0.00 46.19 42.87 2d9i s LEU 89 CO 0.22 -1.43 1.00 -0.54 0.23 0.00 0.00 176.35 175.83 2d9i s LYS 90 N 4.89 -1.55 -0.33 1.70 1.02 -1.26 -4.93 119.74 119.28 2d9i s LYS 90 Ca 0.56 0.69 -0.06 0.00 0.02 0.00 0.00 55.97 57.17 2d9i s LYS 90 Cb -0.11 -1.49 0.04 0.00 -0.52 0.00 0.00 37.83 35.74 2d9i s LYS 90 CO 0.31 -4.11 0.09 0.45 -0.92 0.00 0.00 175.35 171.18 2d9i s SER 91 N -2.57 5.26 0.00 2.83 0.15 -1.26 -5.00 113.70 113.12 2d9i s SER 91 Ca 0.69 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2d9i s SER 91 Cb -0.23 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2d9i s SER 91 CO 0.64 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2d9i n GLY 92 N 4.81 -0.41 3.55 9.45 0.00 -1.26 -4.87 105.19 116.45 2d9i n GLY 92 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.59 0.03 1.61 0.04 -1.26 -4.93 135.00 133.08 2d9i s PRO 93 Ca 0.00 0.20 -0.00 0.00 0.04 0.00 0.00 61.00 61.23 2d9i s PRO 93 Cb 0.00 -4.70 -0.03 0.00 0.04 0.00 0.00 34.50 29.82 2d9i s PRO 93 CO 0.00 -3.03 -0.03 0.45 0.04 0.00 0.00 177.00 174.43 2d9i s SER 94 N 8.07 0.36 1.06 6.66 0.15 -1.26 -5.11 113.70 123.62 2d9i s SER 94 Ca 0.68 -0.68 -0.14 0.00 0.70 0.00 0.00 55.95 56.51 2d9i s SER 94 Cb -0.10 0.13 0.22 0.00 -1.71 0.00 0.00 66.02 64.56 2d9i s SER 94 CO 0.11 -0.40 1.10 -0.94 1.20 0.00 0.00 173.24 174.31 2d9i s SER 95 N -1.98 2.12 0.00 5.45 1.04 -1.26 -5.27 113.70 113.80 2d9i s SER 95 Ca -0.08 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2d9i s SER 95 Cb -0.04 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2d9i s SER 95 CO -0.04 -3.42 0.00 0.61 0.98 0.00 0.00 173.24 171.37