#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 7.21 -0.06 1.61 0.01 -1.26 -5.04 113.70 116.18 2d9i s SER 2 Ca 0.00 1.49 0.06 0.00 1.31 0.00 0.00 55.95 58.81 2d9i s SER 2 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2d9i s SER 2 CO 0.00 -0.44 -0.24 -0.55 0.41 0.00 0.00 173.24 172.42 2d9i s SER 3 N 1.10 3.00 0.00 2.44 0.15 -1.26 -5.03 113.70 114.10 2d9i s SER 3 Ca 0.47 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2d9i s SER 3 Cb -0.18 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 2d9i s SER 3 CO 0.17 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2d9i n GLY 4 N 3.00 0.69 3.79 9.45 0.00 -1.26 -4.98 105.19 115.87 2d9i n GLY 4 Ca -0.18 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2d9i n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9i n SER 5 N 0.64 -4.50 -4.27 1.61 3.41 -1.26 -4.96 113.62 104.29 2d9i n SER 5 Ca 0.00 -0.70 -0.15 0.00 -0.26 0.00 0.00 58.87 57.77 2d9i n SER 5 Cb 0.00 -3.63 -0.10 0.00 -0.26 0.00 0.00 64.21 60.22 2d9i n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d9i s SER 6 N -3.13 1.53 -0.71 4.04 0.15 -1.26 -5.07 113.70 109.25 2d9i s SER 6 Ca 0.60 -1.15 0.02 0.00 0.70 0.00 0.00 55.95 56.12 2d9i s SER 6 Cb -0.31 0.06 0.36 0.00 -1.71 0.00 0.00 66.02 64.42 2d9i s SER 6 CO 0.74 -0.50 1.51 0.61 1.20 0.00 0.00 173.24 176.80 2d9i n GLY 7 N -0.28 5.81 0.14 9.45 0.00 -1.26 -4.70 105.19 114.35 2d9i n GLY 7 Ca -0.07 -2.65 -0.23 0.00 0.00 0.00 0.00 46.02 43.08 2d9i n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2d9i h GLN 8 N 3.09 0.38 -0.75 1.61 1.08 -2.00 -3.30 115.11 115.22 2d9i h GLN 8 Ca 0.40 -0.65 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2d9i h GLN 8 Cb 0.44 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2d9i h GLN 8 CO 1.09 1.31 0.00 0.09 -0.95 0.00 0.00 178.83 180.37 2d9i n ASN 9 N -3.71 1.51 -3.91 1.46 4.13 -1.26 -4.73 115.26 108.74 2d9i n ASN 9 Ca -0.23 -2.12 -0.21 0.00 1.68 0.00 0.00 54.58 53.70 2d9i n ASN 9 Cb 1.03 -0.43 -0.16 0.00 -1.54 0.00 0.00 39.78 38.67 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 -1.41 0.67 -0.12 2.41 0.11 -1.24 -0.59 120.40 120.23 2d9i s VAL 10 Ca 0.09 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2d9i s VAL 10 Cb 0.06 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.23 2d9i s VAL 10 CO 0.03 0.26 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.64 2d9i s LEU 11 N 0.99 2.30 -0.28 2.54 2.96 0.20 -4.93 118.68 122.46 2d9i s LEU 11 Ca -0.10 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 2d9i s LEU 11 Cb -0.14 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2d9i s LEU 11 CO -0.00 0.15 0.17 1.51 -1.32 0.00 0.00 176.35 176.86 2d9i s ASP 12 N 0.43 5.84 0.00 3.68 -4.77 -1.26 -0.63 116.67 119.96 2d9i s ASP 12 Ca -0.15 -0.12 0.20 0.00 -3.30 0.00 0.00 52.55 49.18 2d9i s ASP 12 Cb -0.17 -2.08 0.40 0.00 -1.09 0.00 0.00 42.92 39.98 2d9i s ASP 12 CO 0.06 -0.08 1.33 0.18 0.70 0.00 0.00 175.17 177.37 2d9i n LEU 13 N 5.04 3.28 -4.70 2.11 4.77 0.11 -4.94 117.00 122.68 2d9i n LEU 13 Ca -0.14 -1.61 -0.42 0.00 -0.03 0.00 0.00 56.01 53.81 2d9i n LEU 13 Cb 0.51 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2d9i n LEU 13 CO 0.33 0.74 1.20 -2.28 -1.33 0.00 0.00 177.39 176.05 2d9i s HIS 14 N -1.27 2.79 0.00 -1.77 2.46 -1.11 -2.91 115.29 113.49 2d9i s HIS 14 Ca 0.35 0.63 0.00 0.00 0.47 0.00 0.00 55.06 56.51 2d9i s HIS 14 Cb 0.20 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2d9i s HIS 14 CO 0.27 -3.09 0.00 0.41 -2.47 0.00 0.00 174.74 169.86 2d9i n GLY 15 N 3.76 3.11 3.62 1.59 0.00 -1.26 -5.07 105.19 110.94 2d9i n GLY 15 Ca 0.14 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 1.03 -0.00 0.99 1.43 -1.15 -5.01 118.68 115.97 2d9i s LEU 16 Ca 0.00 0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 53.82 2d9i s LEU 16 Cb 0.00 -2.83 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 2d9i s LEU 16 CO 0.00 -3.74 0.53 -2.28 0.23 0.00 0.00 176.35 171.09 2d9i s HIS 17 N -2.95 3.69 0.22 0.29 5.65 -1.26 -4.84 115.29 116.09 2d9i s HIS 17 Ca 0.68 1.12 0.02 0.00 0.25 0.00 0.00 55.06 57.13 2d9i s HIS 17 Cb -0.14 -2.50 0.54 0.00 -1.18 0.00 0.00 32.58 29.30 2d9i s HIS 17 CO 0.57 0.44 1.10 0.28 -0.65 0.00 0.00 174.74 176.48 2d9i n VAL 18 N 2.45 -0.29 -0.07 0.89 0.31 -1.26 0.21 118.33 120.56 2d9i n VAL 18 Ca -0.09 1.54 -0.10 0.00 -0.01 0.00 0.00 64.34 65.68 2d9i n VAL 18 Cb 0.51 -2.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 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 0.32 0.79 4.52 1.82 -1.97 -2.49 116.42 119.42 2d9i h ASP 19 Ca 0.43 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.96 2d9i h ASP 19 Cb 0.89 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.83 2d9i h ASP 19 CO -0.66 0.30 -0.38 -0.33 -1.61 0.00 0.00 179.24 176.56 2d9i h GLU 20 N 0.32 -1.02 -0.96 0.28 3.07 0.21 -2.85 114.58 113.62 2d9i h GLU 20 Ca 0.09 0.07 0.28 0.00 -0.50 0.00 0.00 59.36 59.30 2d9i h GLU 20 Cb 0.04 0.23 -0.17 0.00 -0.84 0.00 0.00 28.75 28.01 2d9i h GLU 20 CO -0.02 -0.67 0.13 0.00 -1.40 0.00 0.00 179.01 177.05 2d9i h ALA 21 N -1.10 1.29 0.40 3.43 0.00 -0.96 0.11 119.26 122.43 2d9i h ALA 21 Ca -0.11 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2d9i h ALA 21 Cb 0.83 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2d9i h ALA 21 CO 0.18 -0.59 -0.35 -0.07 0.00 0.00 0.00 179.25 178.42 2d9i h LEU 22 N 0.05 -0.92 -0.88 0.00 3.38 -1.33 0.25 115.31 115.85 2d9i h LEU 22 Ca 0.61 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.84 2d9i h LEU 22 Cb 1.30 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 42.25 2d9i h LEU 22 CO -0.84 -0.50 0.42 -0.33 0.09 0.00 0.00 178.44 177.28 2d9i h GLU 23 N -0.75 0.49 -0.16 1.13 5.08 -0.59 -0.78 114.58 119.00 2d9i h GLU 23 Ca -0.03 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2d9i h GLU 23 Cb 0.66 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2d9i h GLU 23 CO -0.03 0.33 -0.09 0.45 -1.00 0.00 0.00 179.01 178.67 2d9i h HIS 24 N 0.51 0.40 -0.97 4.33 3.86 -0.82 -2.43 115.15 120.03 2d9i h HIS 24 Ca 0.52 -0.10 0.23 0.00 -1.16 0.00 0.00 60.37 59.87 2d9i h HIS 24 Cb 0.89 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.20 2d9i h HIS 24 CO -0.11 0.67 0.64 1.25 0.86 0.00 0.00 177.93 181.24 2d9i h LEU 25 N 0.01 0.38 0.09 2.43 5.85 0.91 0.21 115.31 125.20 2d9i h LEU 25 Ca 0.03 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2d9i h LEU 25 Cb 0.57 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2d9i h LEU 25 CO 0.03 0.12 -0.05 0.24 -0.34 0.00 0.00 178.44 178.44 2d9i h MET 26 N 0.36 -0.12 -0.86 1.25 2.86 -1.22 -1.03 114.93 116.17 2d9i h MET 26 Ca 0.52 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 58.27 2d9i h MET 26 Cb 1.37 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.98 2d9i h MET 26 CO -0.20 0.39 0.50 0.00 1.06 0.00 0.00 176.91 178.66 2d9i h ARG 27 N -0.87 0.79 -0.06 1.72 3.08 -0.83 -1.09 114.38 117.11 2d9i h ARG 27 Ca -0.01 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 2d9i h ARG 27 Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2d9i h ARG 27 CO 0.02 0.52 -0.72 -0.39 -1.07 0.00 0.00 179.97 178.34 2d9i h VAL 28 N 0.81 1.40 -0.61 2.04 -1.51 -0.71 0.36 116.25 118.03 2d9i h VAL 28 Ca 0.42 -2.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.72 2d9i h VAL 28 Cb 0.41 2.14 -0.03 0.00 -2.13 0.00 0.00 31.29 31.67 2d9i h VAL 28 CO -0.26 0.65 0.39 -0.07 -1.23 0.00 0.00 177.57 177.05 2d9i h LEU 29 N 0.22 0.71 0.03 4.19 3.38 0.06 0.65 115.31 124.56 2d9i h LEU 29 Ca -0.03 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 2d9i h LEU 29 Cb 1.28 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2d9i h LEU 29 CO 0.12 0.53 -2.14 -0.62 0.09 0.00 0.00 178.44 176.41 2d9i n GLU 30 N -4.43 0.68 0.07 1.13 1.02 -0.78 -3.95 120.64 114.37 2d9i n GLU 30 Ca 0.06 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 2d9i n GLU 30 Cb 0.05 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 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 -0.24 -0.03 3.49 3.64 -0.14 -3.05 116.57 120.26 2d9i h LYS 31 Ca -0.46 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2d9i h LYS 31 Cb 2.06 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.89 2d9i h LYS 31 CO 0.03 0.17 -0.40 0.87 -2.27 0.00 0.00 179.45 177.84 2d9i h LYS 32 N -0.87 -0.46 -0.58 1.90 1.79 0.14 0.15 116.57 118.64 2d9i h LYS 32 Ca -0.03 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 2d9i h LYS 32 Cb 0.51 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2d9i h LYS 32 CO 0.04 -0.31 0.68 0.00 -1.08 0.00 0.00 179.45 178.78 2d9i h THR 33 N -0.48 0.24 -0.63 -0.16 1.03 -1.69 0.17 112.91 111.39 2d9i h THR 33 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.44 2d9i h THR 33 Cb 0.53 0.45 -0.04 0.00 -1.07 0.00 0.00 68.15 68.02 2d9i h THR 33 CO -0.29 0.00 0.39 -0.08 -0.01 0.00 0.00 175.52 175.53 2d9i h GLU 34 N 0.00 0.75 0.01 0.00 4.22 -0.58 -2.18 114.58 116.81 2d9i h GLU 34 Ca 0.27 -0.05 -0.20 0.00 0.08 0.00 0.00 59.36 59.46 2d9i h GLU 34 Cb 1.63 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 2d9i h GLU 34 CO -0.00 0.50 -0.96 1.05 -2.18 0.00 0.00 179.01 177.41 2d9i h GLU 35 N 0.77 0.05 -0.31 1.92 4.11 -0.64 -1.75 114.58 118.74 2d9i h GLU 35 Ca 0.25 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.61 2d9i h GLU 35 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2d9i h GLU 35 CO -0.09 0.97 0.20 0.35 0.07 0.00 0.00 179.01 180.51 2d9i h PHE 36 N 0.02 0.37 0.05 2.06 3.57 -1.07 0.81 116.94 122.76 2d9i h PHE 36 Ca -0.03 0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.15 2d9i h PHE 36 Cb 1.67 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 2d9i h PHE 36 CO 0.01 0.23 -1.85 1.63 -2.23 0.00 0.00 178.31 176.11 2d9i n LYS 37 N -4.49 0.65 0.22 1.11 5.02 -0.86 -3.15 118.16 116.66 2d9i n LYS 37 Ca 0.02 0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 2d9i n LYS 37 Cb 0.08 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.34 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 -0.47 -0.58 0.00 1.97 1.08 -1.21 -3.41 115.11 112.49 2d9i h GLN 38 Ca -0.45 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2d9i h GLN 38 Cb 1.69 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 2d9i h GLN 38 CO -0.11 -0.27 -0.12 0.09 -0.95 0.00 0.00 178.83 177.47 2d9i n ASN 39 N -5.22 0.35 0.00 1.46 4.13 0.22 -5.06 115.26 111.15 2d9i n ASN 39 Ca -0.10 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.41 2d9i n ASN 39 Cb 0.30 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 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 1.66 3.92 0.00 7.41 0.00 0.21 -4.96 105.19 113.43 2d9i n GLY 40 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 2.30 3.77 -0.02 0.00 -1.22 -4.76 105.19 105.25 2d9i n GLY 41 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.44 4.36 0.00 1.61 -0.14 -1.26 -4.88 119.74 118.98 2d9i s LYS 42 Ca 0.00 2.21 0.11 0.00 -1.36 0.00 0.00 55.97 56.93 2d9i s LYS 42 Cb 0.00 -3.08 0.66 0.00 -1.68 0.00 0.00 37.83 33.73 2d9i s LYS 42 CO 0.00 -0.20 1.10 -0.35 -0.76 0.00 0.00 175.35 175.13 2d9i n PRO 43 N 1.06 0.49 -4.25 -1.68 -0.04 -1.26 -4.75 135.00 124.56 2d9i n PRO 43 Ca 0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 2d9i n PRO 43 Cb 0.42 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.00 1.57 -0.05 0.54 -0.85 -1.26 -2.59 117.35 112.71 2d9i s TYR 44 Ca 0.17 -1.57 0.00 0.00 -0.52 0.00 0.00 57.07 55.15 2d9i s TYR 44 Cb 0.08 -0.66 0.02 0.00 0.38 0.00 0.00 41.96 41.79 2d9i s TYR 44 CO 0.13 -0.81 -0.02 -1.17 -1.52 0.00 0.00 175.55 172.15 2d9i s LEU 45 N -3.31 1.10 -0.47 -3.49 2.96 -0.93 -4.92 118.68 109.62 2d9i s LEU 45 Ca 0.40 -0.10 -0.24 0.00 -0.22 0.00 0.00 54.13 53.97 2d9i s LEU 45 Cb 0.04 -0.41 0.03 0.00 0.50 0.00 0.00 46.19 46.35 2d9i s LEU 45 CO 0.23 -0.10 0.84 -0.44 -1.32 0.00 0.00 176.35 175.56 2d9i s SER 46 N 1.23 6.41 -0.36 3.68 0.01 0.24 -3.00 113.70 121.92 2d9i s SER 46 Ca -0.06 -0.13 -0.12 0.00 1.31 0.00 0.00 55.95 56.95 2d9i s SER 46 Cb -0.14 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2d9i s SER 46 CO -0.02 -1.00 0.22 -0.69 0.41 0.00 0.00 173.24 172.16 2d9i s VAL 47 N 3.49 4.80 -0.42 3.43 1.01 -0.55 0.58 120.40 132.74 2d9i s VAL 47 Ca 0.31 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2d9i s VAL 47 Cb -0.12 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2d9i s VAL 47 CO 0.23 -0.16 0.39 -0.63 0.00 0.00 0.00 175.10 174.93 2d9i s ILE 48 N 1.61 5.14 -0.17 2.22 1.09 0.20 -1.52 121.20 129.78 2d9i s ILE 48 Ca 0.04 -0.47 -0.22 0.00 -1.10 0.00 0.00 60.65 58.90 2d9i s ILE 48 Cb -0.18 -4.01 -0.19 0.00 -1.06 0.00 0.00 42.46 37.02 2d9i s ILE 48 CO 0.08 -0.39 0.39 0.71 -0.10 0.00 0.00 174.94 175.62 2d9i h THR 49 N 5.70 1.12 -4.18 2.92 1.35 -1.87 0.33 112.91 118.29 2d9i h THR 49 Ca -0.27 -2.05 -0.37 0.00 -0.55 0.00 0.00 66.41 63.17 2d9i h THR 49 Cb 1.11 2.33 -0.09 0.00 -1.73 0.00 0.00 68.15 69.77 2d9i h THR 49 CO 0.78 0.38 -0.35 0.61 -0.25 0.00 0.00 175.52 176.69 2d9i n GLY 50 N 1.55 3.22 3.55 5.82 0.00 -1.26 -2.84 105.19 115.23 2d9i n GLY 50 Ca -0.18 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.04 1.42 1.18 1.61 3.52 -1.26 -4.42 118.95 117.97 2d9i s ARG 51 Ca 0.28 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 2d9i s ARG 51 Cb 0.01 0.54 0.00 0.00 -1.56 0.00 0.00 34.95 33.94 2d9i s ARG 51 CO 0.20 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 2d9i n GLY 52 N -0.36 -1.88 3.59 8.12 0.00 -1.26 -4.73 105.19 108.66 2d9i n GLY 52 Ca -0.10 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2d9i n GLY 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d9i s ASN 53 N -4.00 6.04 -0.11 1.61 3.84 -1.26 -4.86 114.94 116.19 2d9i s ASN 53 Ca 0.00 0.68 -0.23 0.00 0.21 0.00 0.00 52.86 53.51 2d9i s ASN 53 Cb 0.00 -2.54 -0.27 0.00 -0.55 0.00 0.00 41.25 37.89 2d9i s ASN 53 CO 0.00 -1.70 0.70 0.45 -2.79 0.00 0.00 177.10 173.75 2d9i h HIS 54 N 11.81 0.25 -0.98 0.43 3.86 -1.85 -3.13 115.15 125.54 2d9i h HIS 54 Ca -0.28 -0.18 0.28 0.00 -1.16 0.00 0.00 60.37 59.03 2d9i h HIS 54 Cb 1.12 -0.01 -0.18 0.00 1.06 0.00 0.00 27.41 29.40 2d9i h HIS 54 CO 1.00 1.26 0.08 0.77 0.86 0.00 0.00 177.93 181.90 2d9i h SER 55 N -0.68 -0.38 -3.66 2.45 0.02 -1.89 -3.31 113.55 106.09 2d9i h SER 55 Ca -0.15 0.27 -0.45 0.00 -0.84 0.00 0.00 61.79 60.63 2d9i h SER 55 Cb 1.38 0.46 -0.32 0.00 0.14 0.00 0.00 62.40 64.05 2d9i h SER 55 CO 0.03 -0.35 -0.79 -1.10 -1.14 0.00 0.00 176.83 173.48 2d9i s GLN 56 N -5.96 1.11 -1.14 3.45 -0.21 -1.26 -4.86 119.66 110.78 2d9i s GLN 56 Ca -0.13 -0.29 -0.16 0.00 0.02 0.00 0.00 55.36 54.80 2d9i s GLN 56 Cb 0.29 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.27 2d9i s GLN 56 CO 0.78 0.06 0.80 0.41 -2.12 0.00 0.00 175.29 175.22 2d9i n GLY 57 N 3.55 -0.94 0.00 3.09 0.00 -1.26 -4.69 105.19 104.93 2d9i n GLY 57 Ca -0.21 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.60 0.00 3.77 -0.02 0.00 -1.18 -4.74 105.19 101.42 2d9i n GLY 58 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2d9i n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d9i s VAL 59 N 0.00 2.90 -0.09 1.61 1.01 -1.26 -4.17 120.40 120.41 2d9i s VAL 59 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2d9i s VAL 59 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2d9i s VAL 59 CO 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 175.10 175.10 2d9i s ALA 60 N -1.26 1.49 -1.10 5.51 0.00 -1.26 -4.99 121.76 120.13 2d9i s ALA 60 Ca 0.53 -0.58 0.16 0.00 0.00 0.00 0.00 51.96 52.08 2d9i s ALA 60 Cb -0.36 -0.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 2d9i s ALA 60 CO 0.46 -0.01 0.77 0.54 0.00 0.00 0.00 175.76 177.52 2d9i n ARG 61 N 4.07 1.64 -0.04 0.00 1.74 -1.26 -4.56 116.66 118.25 2d9i n ARG 61 Ca -0.20 -0.36 -0.05 0.00 -0.77 0.00 0.00 57.85 56.47 2d9i n ARG 61 Cb 0.51 -1.28 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.81 0.60 -0.94 0.55 2.04 -1.94 -3.32 117.51 115.31 2d9i h ILE 62 Ca 0.00 -1.41 0.20 0.00 1.00 0.00 0.00 64.86 64.65 2d9i h ILE 62 Cb 0.47 1.12 -0.18 0.00 -0.74 0.00 0.00 36.82 37.49 2d9i h ILE 62 CO 0.00 0.20 -0.19 0.50 0.00 0.00 0.00 178.15 178.66 2d9i h LYS 63 N -1.00 0.01 -0.11 2.37 3.11 -1.91 -1.54 116.57 117.50 2d9i h LYS 63 Ca -0.00 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2d9i h LYS 63 Cb 0.35 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 2d9i h LYS 63 CO 0.01 0.00 -0.32 -1.35 -2.81 0.00 0.00 179.45 174.98 2d9i h PRO 64 N 0.01 -0.31 -0.11 1.90 0.11 -1.81 -2.00 132.00 129.80 2d9i h PRO 64 Ca 0.47 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.62 2d9i h PRO 64 Cb 0.77 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 2d9i h PRO 64 CO -0.95 -0.20 -0.41 0.00 -0.21 0.00 0.00 178.00 176.22 2d9i h ALA 65 N -0.73 -0.78 -0.86 -0.75 0.00 -1.39 -1.46 119.26 113.28 2d9i h ALA 65 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2d9i h ALA 65 Cb 0.39 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 2d9i h ALA 65 CO -0.27 -0.93 -0.40 0.28 0.00 0.00 0.00 179.25 177.93 2d9i n VAL 66 N -4.74 -0.50 -0.36 0.00 0.31 -0.92 0.15 118.33 112.27 2d9i n VAL 66 Ca -0.05 2.04 0.04 0.00 -0.01 0.00 0.00 64.34 66.36 2d9i n VAL 66 Cb 0.29 -2.62 0.19 0.00 -0.91 0.00 0.00 33.84 30.78 2d9i n VAL 66 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2d9i h ILE 67 N 0.00 1.02 -0.55 2.52 2.04 -0.77 0.90 117.51 122.67 2d9i h ILE 67 Ca 0.24 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2d9i h ILE 67 Cb 0.45 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2d9i h ILE 67 CO -0.84 0.20 -0.05 0.50 0.00 0.00 0.00 178.15 177.97 2d9i h LYS 68 N 1.08 0.97 -0.36 2.37 3.64 0.24 -2.56 116.57 121.96 2d9i h LYS 68 Ca 0.45 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2d9i h LYS 68 Cb 0.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2d9i h LYS 68 CO -0.21 0.98 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.73 2d9i h TYR 69 N 0.88 1.00 0.14 1.91 5.03 0.66 -3.13 116.97 123.46 2d9i h TYR 69 Ca 0.15 -0.29 0.01 0.00 2.58 0.00 0.00 58.73 61.18 2d9i h TYR 69 Cb 0.58 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2d9i h TYR 69 CO 0.04 1.08 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.71 2d9i h LEU 70 N 0.64 -0.47 -0.93 2.82 3.38 -0.75 -2.36 115.31 117.64 2d9i h LEU 70 Ca 0.06 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.30 2d9i h LEU 70 Cb 0.88 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2d9i h LEU 70 CO 0.08 -0.26 0.48 0.40 0.09 0.00 0.00 178.44 179.23 2d9i h ILE 71 N -0.36 0.55 -0.53 1.22 2.04 -1.49 0.15 117.51 119.08 2d9i h ILE 71 Ca 0.01 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.80 2d9i h ILE 71 Cb 0.36 -0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.32 2d9i h ILE 71 CO -0.07 0.09 -0.18 -1.28 0.00 0.00 0.00 178.15 176.72 2d9i h SER 72 N 0.52 -0.65 -0.45 1.72 0.87 -1.37 0.35 113.55 114.54 2d9i h SER 72 Ca 0.58 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 2d9i h SER 72 Cb 1.05 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2d9i h SER 72 CO -0.48 -0.22 0.00 1.41 -0.53 0.00 0.00 176.83 177.01 2d9i n HIS 73 N -5.40 0.92 -3.51 2.24 8.25 -0.28 -4.90 115.22 112.52 2d9i n HIS 73 Ca 0.05 -0.38 -0.26 0.00 -0.26 0.00 0.00 57.72 56.87 2d9i n HIS 73 Cb 0.31 -0.14 0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 0.75 -5.44 -4.60 0.41 7.64 0.12 -4.89 113.62 107.61 2d9i n SER 74 Ca 0.17 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 59.10 2d9i n SER 74 Cb 0.58 -4.36 -0.02 0.00 -1.01 0.00 0.00 64.21 59.40 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 -3.22 2.33 0.41 1.43 0.08 0.34 -4.95 117.98 114.40 2d9i s PHE 75 Ca 0.51 0.66 -0.26 0.00 0.12 0.00 0.00 56.93 57.96 2d9i s PHE 75 Cb -0.24 -4.30 -0.09 0.00 -0.57 0.00 0.00 43.02 37.82 2d9i s PHE 75 CO 0.63 -2.07 1.32 0.50 -0.10 0.00 0.00 175.22 175.50 2d9i s ARG 76 N 5.06 3.91 0.18 0.44 6.06 -1.26 -4.57 118.95 128.77 2d9i s ARG 76 Ca 0.62 2.19 -0.19 0.00 -2.50 0.00 0.00 55.73 55.85 2d9i s ARG 76 Cb -0.14 -2.73 0.04 0.00 0.06 0.00 0.00 34.95 32.18 2d9i s ARG 76 CO 0.32 -0.55 0.54 -0.59 -2.50 0.00 0.00 175.30 172.52 2d9i s PHE 77 N -1.26 -0.29 -0.17 5.12 -0.71 -1.26 -2.46 117.98 116.95 2d9i s PHE 77 Ca 0.58 -0.01 -0.04 0.00 -1.04 0.00 0.00 56.93 56.42 2d9i s PHE 77 Cb -0.39 0.45 0.06 0.00 -1.21 0.00 0.00 43.02 41.93 2d9i s PHE 77 CO 0.50 -0.88 0.06 0.45 -1.34 0.00 0.00 175.22 174.02 2d9i s SER 78 N -2.82 2.48 -0.58 1.98 0.15 -0.99 -5.00 113.70 108.92 2d9i s SER 78 Ca 0.05 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 55.79 2d9i s SER 78 Cb -0.01 -0.38 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 2d9i s SER 78 CO -0.08 -0.32 1.51 -0.70 1.20 0.00 0.00 173.24 174.85 2d9i s GLU 79 N 2.02 3.16 -0.11 5.44 2.12 -1.26 -3.75 118.70 126.32 2d9i s GLU 79 Ca 0.01 0.46 0.19 0.00 0.36 0.00 0.00 54.97 55.99 2d9i s GLU 79 Cb -0.16 -4.19 -0.28 0.00 0.26 0.00 0.00 34.13 29.76 2d9i s GLU 79 CO -0.08 -2.11 0.26 0.44 -0.54 0.00 0.00 175.26 173.23 2d9i n ILE 80 N 6.90 0.68 -4.15 -3.70 -5.35 -1.26 -4.99 119.36 107.49 2d9i n ILE 80 Ca 0.13 -0.65 -0.14 0.00 -0.27 0.00 0.00 62.75 61.82 2d9i n ILE 80 Cb 0.50 -0.24 -0.11 0.00 -1.74 0.00 0.00 39.64 38.05 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 -2.95 0.76 0.00 6.28 -0.14 -1.26 -5.02 119.74 117.41 2d9i s LYS 81 Ca -0.09 -1.05 0.10 0.00 -1.36 0.00 0.00 55.97 53.58 2d9i s LYS 81 Cb 0.10 -0.47 0.60 0.00 -1.68 0.00 0.00 37.83 36.37 2d9i s LYS 81 CO 0.83 0.08 1.04 -0.35 -0.76 0.00 0.00 175.35 176.19 2d9i n PRO 82 N 0.82 0.49 -1.47 -1.68 -0.04 -1.26 -2.83 135.00 129.03 2d9i n PRO 82 Ca -0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.27 2d9i n PRO 82 Cb 0.57 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.92 3.29 0.55 0.00 -1.26 -4.80 105.19 103.87 2d9i n GLY 83 Ca 0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.64 0.80 -0.46 0.00 1.43 -0.57 -4.19 118.68 115.04 2d9i s LEU 85 Ca -0.07 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 2d9i s LEU 85 Cb -0.04 -0.37 0.08 0.00 0.03 0.00 0.00 46.19 45.89 2d9i s LEU 85 CO 0.03 -0.15 0.37 -0.75 0.23 0.00 0.00 176.35 176.07 2d9i s LYS 86 N 1.61 2.85 -0.11 1.70 2.36 -1.25 -1.49 119.74 125.41 2d9i s LYS 86 Ca -0.01 -1.44 -0.06 0.00 -2.55 0.00 0.00 55.97 51.91 2d9i s LYS 86 Cb -0.13 -4.04 -0.04 0.00 -1.05 0.00 0.00 37.83 32.57 2d9i s LYS 86 CO -0.03 -1.05 0.10 0.08 1.55 0.00 0.00 175.35 176.00 2d9i s VAL 87 N 1.56 5.17 -0.49 4.02 1.01 -1.16 -2.35 120.40 128.16 2d9i s VAL 87 Ca 0.04 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2d9i s VAL 87 Cb -0.25 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 32.94 2d9i s VAL 87 CO 0.05 0.62 0.70 -0.04 0.00 0.00 0.00 175.10 176.42 2d9i s MET 88 N -0.99 3.23 0.25 2.72 -1.94 -1.03 -2.20 119.30 119.35 2d9i s MET 88 Ca 0.15 -0.54 -0.31 0.00 -1.71 0.00 0.00 55.69 53.28 2d9i s MET 88 Cb -0.12 -4.03 -0.11 0.00 2.01 0.00 0.00 34.83 32.59 2d9i s MET 88 CO 0.04 -1.18 1.59 -0.51 -0.01 0.00 0.00 175.02 174.94 2d9i s LEU 89 N 2.97 4.36 -0.13 -0.03 1.43 -1.07 -4.72 118.68 121.49 2d9i s LEU 89 Ca 0.21 2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.86 2d9i s LEU 89 Cb -0.16 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 2d9i s LEU 89 CO 0.16 -0.87 1.73 -0.54 0.23 0.00 0.00 176.35 177.06 2d9i s LYS 90 N 0.06 3.90 -0.15 1.70 1.02 -1.26 -4.88 119.74 120.12 2d9i s LYS 90 Ca 0.66 1.99 -0.17 0.00 0.02 0.00 0.00 55.97 58.47 2d9i s LYS 90 Cb -0.47 -4.07 -0.24 0.00 -0.52 0.00 0.00 37.83 32.54 2d9i s LYS 90 CO 0.42 -1.18 0.38 1.03 -0.92 0.00 0.00 175.35 175.07 2d9i h SER 91 N 10.74 0.22 -3.46 2.83 0.87 -1.96 -3.47 113.55 119.32 2d9i h SER 91 Ca -0.38 -0.74 -0.66 0.00 -1.23 0.00 0.00 61.79 58.77 2d9i h SER 91 Cb 1.18 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 62.93 2d9i h SER 91 CO 0.97 1.60 -0.69 -0.83 -0.53 0.00 0.00 176.83 177.35 2d9i s GLY 92 N -5.04 1.85 -0.70 5.77 0.00 -1.26 -5.05 107.32 102.89 2d9i s GLY 92 Ca -0.24 -1.12 -0.26 0.00 0.00 0.00 0.00 44.72 43.10 2d9i s GLY 92 CO 0.69 -1.07 1.89 2.56 0.00 0.00 0.00 173.10 177.17 2d9i s PRO 93 N -2.05 2.60 -0.04 2.90 0.04 -1.26 -4.85 135.00 132.34 2d9i s PRO 93 Ca 0.22 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 2d9i s PRO 93 Cb -0.11 -4.59 -0.09 0.00 0.04 0.00 0.00 34.50 29.74 2d9i s PRO 93 CO 0.14 -2.93 0.65 0.66 0.04 0.00 0.00 177.00 175.57 2d9i h SER 94 N 13.87 -0.43 -3.33 6.66 4.64 -1.99 -3.45 113.55 129.53 2d9i h SER 94 Ca -0.15 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.59 2d9i h SER 94 Cb 1.12 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2d9i h SER 94 CO 1.22 0.02 -0.19 -0.94 -0.87 0.00 0.00 176.83 176.07 2d9i s SER 95 N -4.99 6.59 0.00 4.97 1.04 -1.26 -5.30 113.70 114.75 2d9i s SER 95 Ca -0.08 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2d9i s SER 95 Cb 0.01 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2d9i s SER 95 CO 0.26 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.08