#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 0.61 -0.16 1.61 0.01 -1.26 -5.01 113.70 109.50 2d9i s SER 2 Ca 0.00 0.86 -0.16 0.00 1.31 0.00 0.00 55.95 57.96 2d9i s SER 2 Cb 0.00 -1.26 -0.12 0.00 0.21 0.00 0.00 66.02 64.85 2d9i s SER 2 CO 0.00 -4.34 0.14 0.77 0.41 0.00 0.00 173.24 170.22 2d9i h SER 3 N -2.72 0.00 0.00 2.44 4.64 -2.13 -3.50 113.55 112.28 2d9i h SER 3 Ca -0.48 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2d9i h SER 3 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2d9i h SER 3 CO 0.38 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 178.00 2d9i n GLY 4 N 1.56 5.17 2.94 -0.77 0.00 -1.26 -5.14 105.19 107.70 2d9i n GLY 4 Ca -0.16 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 1.00 3.54 0.04 1.61 0.01 -1.26 -5.12 113.70 113.52 2d9i s SER 5 Ca 0.00 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2d9i s SER 5 Cb 0.00 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 2d9i s SER 5 CO 0.00 -0.21 -0.05 -0.94 0.41 0.00 0.00 173.24 172.45 2d9i s SER 6 N 1.45 0.59 0.00 2.44 1.04 -1.26 -5.06 113.70 112.90 2d9i s SER 6 Ca -0.03 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2d9i s SER 6 Cb -0.18 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2d9i s SER 6 CO -0.07 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2d9i n GLY 7 N 1.28 -0.83 2.99 7.32 0.00 -1.26 -5.13 105.19 109.55 2d9i n GLY 7 Ca -0.22 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2d9i n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d9i s GLN 8 N 0.00 1.61 0.19 1.61 -0.21 -1.26 -4.96 119.66 116.64 2d9i s GLN 8 Ca 0.00 -1.50 0.07 0.00 0.02 0.00 0.00 55.36 53.95 2d9i s GLN 8 Cb 0.00 -2.89 0.05 0.00 1.00 0.00 0.00 33.01 31.17 2d9i s GLN 8 CO 0.00 -0.79 1.43 -0.91 -2.12 0.00 0.00 175.29 172.89 2d9i h ASN 9 N 7.76 0.05 -3.51 5.90 4.21 -1.99 -3.43 115.58 124.57 2d9i h ASN 9 Ca -0.11 -0.04 -0.61 0.00 1.21 0.00 0.00 56.30 56.75 2d9i h ASN 9 Cb 1.03 -0.02 -0.12 0.00 -1.12 0.00 0.00 38.32 38.10 2d9i h ASN 9 CO 0.48 0.85 0.04 0.54 -1.29 0.00 0.00 177.43 178.06 2d9i s VAL 10 N -3.15 5.05 -0.35 2.81 0.11 -1.26 -3.26 120.40 120.35 2d9i s VAL 10 Ca -0.01 0.99 -0.09 0.00 -2.93 0.00 0.00 61.98 59.94 2d9i s VAL 10 Cb 0.11 -3.87 0.02 0.00 -1.53 0.00 0.00 36.38 31.11 2d9i s VAL 10 CO 0.80 0.09 0.16 -0.22 -3.33 0.00 0.00 175.10 172.60 2d9i s LEU 11 N 2.18 4.44 -0.40 2.54 2.96 -0.80 -4.98 118.68 124.61 2d9i s LEU 11 Ca 0.24 -0.91 -0.29 0.00 -0.22 0.00 0.00 54.13 52.95 2d9i s LEU 11 Cb -0.16 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.58 2d9i s LEU 11 CO 0.09 -0.32 1.16 -0.62 -1.32 0.00 0.00 176.35 175.34 2d9i s ASP 12 N 1.53 6.71 0.03 3.68 2.15 -1.26 -2.55 116.67 126.96 2d9i s ASP 12 Ca 0.02 0.77 0.18 0.00 0.43 0.00 0.00 52.55 53.94 2d9i s ASP 12 Cb -0.19 -2.55 -0.16 0.00 -0.30 0.00 0.00 42.92 39.73 2d9i s ASP 12 CO 0.05 -1.13 0.72 0.18 -0.17 0.00 0.00 175.17 174.82 2d9i n LEU 13 N 7.59 0.68 -4.67 -1.34 4.77 0.13 -4.92 117.00 119.25 2d9i n LEU 13 Ca 0.13 0.30 -0.51 0.00 -0.03 0.00 0.00 56.01 55.90 2d9i n LEU 13 Cb 0.48 0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2d9i n LEU 13 CO 0.67 0.15 1.26 1.57 -1.33 0.00 0.00 177.39 179.70 2d9i n HIS 14 N -2.80 2.09 0.00 -1.77 -0.00 -0.96 -1.80 115.22 109.98 2d9i n HIS 14 Ca -0.11 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2d9i n HIS 14 Cb 0.83 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.18 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 3.72 1.81 3.94 1.57 0.00 -1.26 -5.03 105.19 109.94 2d9i n GLY 15 Ca 0.21 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 2.84 0.14 0.99 1.43 -0.75 -5.07 118.68 118.27 2d9i s LEU 16 Ca 0.00 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 2d9i s LEU 16 Cb 0.00 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 2d9i s LEU 16 CO 0.00 -1.85 0.54 -2.28 0.23 0.00 0.00 176.35 172.99 2d9i s HIS 17 N -3.33 3.60 0.04 0.29 5.65 -1.26 -4.80 115.29 115.48 2d9i s HIS 17 Ca 0.64 1.05 -0.07 0.00 0.25 0.00 0.00 55.06 56.93 2d9i s HIS 17 Cb -0.08 -2.36 -0.02 0.00 -1.18 0.00 0.00 32.58 28.94 2d9i s HIS 17 CO 0.46 0.43 0.90 0.28 -0.65 0.00 0.00 174.74 176.16 2d9i n VAL 18 N 0.80 -0.15 -0.32 0.89 0.31 -1.26 0.11 118.33 118.70 2d9i n VAL 18 Ca -0.05 1.37 0.20 0.00 -0.01 0.00 0.00 64.34 65.85 2d9i n VAL 18 Cb 0.52 -1.77 0.40 0.00 -0.91 0.00 0.00 33.84 32.07 2d9i n VAL 18 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2d9i h ASP 19 N 0.00 -0.02 0.14 4.52 3.32 -1.96 -0.74 116.42 121.67 2d9i h ASP 19 Ca 0.04 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2d9i h ASP 19 Cb 0.09 0.33 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2d9i h ASP 19 CO -0.21 -0.31 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.61 2d9i h GLU 20 N 0.09 -0.18 -1.06 3.56 3.07 0.43 -3.04 114.58 117.45 2d9i h GLU 20 Ca 0.68 0.01 0.38 0.00 -0.50 0.00 0.00 59.36 59.93 2d9i h GLU 20 Cb 1.56 0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 29.39 2d9i h GLU 20 CO -0.78 -0.12 0.67 0.00 -1.40 0.00 0.00 179.01 177.38 2d9i n ALA 21 N -2.18 1.06 0.20 3.43 0.00 0.87 0.10 120.51 123.99 2d9i n ALA 21 Ca -0.02 0.72 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 2d9i n ALA 21 Cb 0.07 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 2d9i n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d9i h LEU 22 N 0.00 -0.42 -0.71 0.00 3.38 -1.17 -1.70 115.31 114.69 2d9i h LEU 22 Ca 0.71 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.70 2d9i h LEU 22 Cb 2.21 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.98 2d9i h LEU 22 CO -0.42 -0.15 0.29 1.05 0.09 0.00 0.00 178.44 179.31 2d9i h GLU 23 N -0.70 0.45 -0.18 1.13 4.11 0.81 -1.54 114.58 118.66 2d9i h GLU 23 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2d9i h GLU 23 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2d9i h GLU 23 CO 0.08 0.30 0.12 0.45 0.07 0.00 0.00 179.01 180.03 2d9i h HIS 24 N 0.47 0.23 0.19 2.06 3.86 -1.31 0.21 115.15 120.85 2d9i h HIS 24 Ca 0.38 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.60 2d9i h HIS 24 Cb 0.51 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 2d9i h HIS 24 CO -0.16 0.15 -0.48 1.25 0.86 0.00 0.00 177.93 179.56 2d9i h LEU 25 N 0.25 -1.40 0.01 2.43 5.85 -0.34 0.23 115.31 122.34 2d9i h LEU 25 Ca 0.07 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2d9i h LEU 25 Cb -0.03 0.51 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2d9i h LEU 25 CO -0.01 -0.55 -0.00 0.00 -0.34 0.00 0.00 178.44 177.54 2d9i h MET 26 N -0.75 -0.01 -0.55 1.25 -0.00 -1.31 0.57 114.93 114.13 2d9i h MET 26 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 59.70 59.81 2d9i h MET 26 Cb 0.75 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.26 2d9i h MET 26 CO -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.69 2d9i h ARG 27 N -0.02 0.12 -0.01 -0.10 3.08 -0.32 -0.39 114.38 116.75 2d9i h ARG 27 Ca -0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2d9i h ARG 27 Cb 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2d9i h ARG 27 CO 0.00 0.08 -0.77 -0.39 -1.07 0.00 0.00 179.97 177.82 2d9i h VAL 28 N 0.12 1.51 -0.75 2.04 -1.51 -0.31 0.75 116.25 118.11 2d9i h VAL 28 Ca 0.28 -2.51 0.04 0.00 -1.23 0.00 0.00 66.70 63.28 2d9i h VAL 28 Cb 0.44 2.36 -0.04 0.00 -2.13 0.00 0.00 31.29 31.92 2d9i h VAL 28 CO -0.46 0.72 0.49 -0.07 -1.23 0.00 0.00 177.57 177.02 2d9i h LEU 29 N 0.05 0.76 0.04 4.19 3.38 0.18 0.67 115.31 124.57 2d9i h LEU 29 Ca -0.02 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 2d9i h LEU 29 Cb 1.35 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2d9i h LEU 29 CO 0.11 0.52 -2.21 -0.62 0.09 0.00 0.00 178.44 176.32 2d9i n GLU 30 N -4.46 0.69 0.20 1.13 1.02 -0.60 -3.42 120.64 115.19 2d9i n GLU 30 Ca 0.10 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.47 2d9i n GLU 30 Cb 0.15 -1.61 0.40 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.00 0.00 3.49 3.64 -0.70 -3.00 116.57 120.03 2d9i h LYS 31 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2d9i h LYS 31 Cb 2.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 2d9i h LYS 31 CO 0.01 0.34 -0.05 0.87 -2.27 0.00 0.00 179.45 178.35 2d9i h LYS 32 N 0.00 0.00 -1.20 1.90 1.79 0.18 -3.33 116.57 115.91 2d9i h LYS 32 Ca -0.00 0.00 0.35 0.00 -2.18 0.00 0.00 60.65 58.82 2d9i h LYS 32 Cb 0.73 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.33 2d9i h LYS 32 CO 0.04 0.00 1.13 0.00 -1.08 0.00 0.00 179.45 179.54 2d9i h THR 33 N -0.67 0.09 0.12 -0.16 1.03 -1.65 -0.98 112.91 110.70 2d9i h THR 33 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2d9i h THR 33 Cb 0.05 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.27 2d9i h THR 33 CO 0.00 0.00 -0.06 -0.08 -0.01 0.00 0.00 175.52 175.37 2d9i h GLU 34 N 0.00 -0.16 0.00 0.00 4.57 -1.63 -2.46 114.58 114.90 2d9i h GLU 34 Ca 0.57 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 2d9i h GLU 34 Cb 2.82 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 31.45 2d9i h GLU 34 CO -0.01 -0.11 0.00 0.93 -1.18 0.00 0.00 179.01 178.65 2d9i h GLU 35 N -0.17 0.00 -0.22 1.92 4.39 -1.34 -1.24 114.58 117.92 2d9i h GLU 35 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2d9i h GLU 35 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2d9i h GLU 35 CO 0.03 0.00 -0.47 0.35 -1.16 0.00 0.00 179.01 177.76 2d9i h PHE 36 N 0.00 0.69 0.12 4.33 3.57 -1.06 -1.36 116.94 123.23 2d9i h PHE 36 Ca 0.00 -0.22 -0.34 0.00 3.53 0.00 0.00 57.97 60.93 2d9i h PHE 36 Cb 0.05 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2d9i h PHE 36 CO 0.00 0.93 -1.84 0.87 -2.23 0.00 0.00 178.31 176.04 2d9i h LYS 37 N 0.45 0.25 0.54 1.11 1.57 -0.79 -2.52 116.57 117.18 2d9i h LYS 37 Ca 0.03 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 2d9i h LYS 37 Cb 1.00 0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.47 2d9i h LYS 37 CO 0.09 1.11 -0.26 1.96 -0.57 0.00 0.00 179.45 181.79 2d9i h GLN 38 N 0.07 -0.69 0.00 3.15 1.08 -1.41 -3.40 115.11 113.90 2d9i h GLN 38 Ca -0.36 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2d9i h GLN 38 Cb 2.04 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.63 2d9i h GLN 38 CO 0.11 -0.39 -0.24 -1.71 -0.95 0.00 0.00 178.83 175.65 2d9i n ASN 39 N -5.32 0.83 0.00 1.46 5.15 -0.53 -5.09 115.26 111.76 2d9i n ASN 39 Ca -0.11 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 2d9i n ASN 39 Cb 0.33 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 2d9i n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d9i n GLY 40 N 1.68 3.17 0.00 8.20 0.00 -0.96 -5.03 105.19 112.26 2d9i n GLY 40 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 4.33 3.75 -0.02 0.00 -1.17 -4.96 105.19 107.12 2d9i n GLY 41 Ca 0.00 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 0.37 4.37 0.00 1.61 1.02 -1.26 -4.89 119.74 120.97 2d9i s LYS 42 Ca 0.00 2.14 0.15 0.00 0.02 0.00 0.00 55.97 58.28 2d9i s LYS 42 Cb 0.00 -3.14 0.91 0.00 -0.52 0.00 0.00 37.83 35.08 2d9i s LYS 42 CO 0.00 -0.23 1.35 -0.35 -0.92 0.00 0.00 175.35 175.20 2d9i n PRO 43 N 1.87 0.46 -4.39 -1.68 -0.04 -1.26 -4.74 135.00 125.22 2d9i n PRO 43 Ca 0.04 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 2d9i n PRO 43 Cb 0.42 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.06 1.79 -0.05 0.54 -0.85 -1.26 0.18 117.35 115.64 2d9i s TYR 44 Ca 0.22 -0.88 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 2d9i s TYR 44 Cb 0.11 -1.08 0.02 0.00 0.38 0.00 0.00 41.96 41.39 2d9i s TYR 44 CO 0.18 0.05 -0.05 -1.17 -1.52 0.00 0.00 175.55 173.05 2d9i s LEU 45 N -3.40 1.29 0.25 -3.49 2.96 0.32 -4.90 118.68 111.71 2d9i s LEU 45 Ca 0.31 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 2d9i s LEU 45 Cb 0.06 -0.50 -0.09 0.00 0.50 0.00 0.00 46.19 46.16 2d9i s LEU 45 CO 0.12 -0.06 0.97 -0.44 -1.32 0.00 0.00 176.35 175.62 2d9i s SER 46 N 1.01 7.57 0.01 3.68 0.01 -1.20 -1.90 113.70 122.87 2d9i s SER 46 Ca -0.10 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2d9i s SER 46 Cb -0.14 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 2d9i s SER 46 CO -0.00 0.10 -0.02 -0.69 0.41 0.00 0.00 173.24 173.04 2d9i s VAL 47 N -1.18 0.12 -0.24 3.43 1.01 -0.74 -1.91 120.40 120.89 2d9i s VAL 47 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2d9i s VAL 47 Cb -0.27 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.04 2d9i s VAL 47 CO 0.34 -0.09 0.04 -0.63 0.00 0.00 0.00 175.10 174.75 2d9i s ILE 48 N -0.37 0.85 0.02 2.22 1.01 -1.06 0.12 121.20 123.99 2d9i s ILE 48 Ca -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 2d9i s ILE 48 Cb -0.03 -1.41 -0.28 0.00 0.01 0.00 0.00 42.46 40.76 2d9i s ILE 48 CO -0.00 -0.35 0.91 0.71 0.00 0.00 0.00 174.94 176.21 2d9i h THR 49 N 6.54 1.22 0.00 2.92 1.35 -1.87 0.39 112.91 123.46 2d9i h THR 49 Ca -0.16 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 62.85 2d9i h THR 49 Cb 1.07 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 2d9i h THR 49 CO 0.40 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 177.10 2d9i n GLY 50 N 1.63 1.15 3.63 5.82 0.00 -1.26 -2.88 105.19 113.28 2d9i n GLY 50 Ca -0.15 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 4.05 0.20 1.61 3.00 -1.26 -4.49 118.95 122.06 2d9i s ARG 51 Ca 0.00 0.82 0.05 0.00 -1.00 0.00 0.00 55.73 55.59 2d9i s ARG 51 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 34.95 31.21 2d9i s ARG 51 CO 0.00 -0.68 0.27 0.20 0.00 0.00 0.00 175.30 175.09 2d9i s GLY 52 N 1.53 1.47 0.28 8.12 0.00 -1.26 -5.07 107.32 112.39 2d9i s GLY 52 Ca 0.36 -1.21 0.05 0.00 0.00 0.00 0.00 44.72 43.92 2d9i s GLY 52 CO 0.11 -1.22 0.42 -1.31 0.00 0.00 0.00 173.10 171.10 2d9i s ASN 53 N -3.61 6.23 0.20 1.64 0.01 -1.25 -5.01 114.94 113.15 2d9i s ASN 53 Ca 0.33 0.07 -0.11 0.00 -0.71 0.00 0.00 52.86 52.45 2d9i s ASN 53 Cb -0.10 -1.75 0.13 0.00 0.41 0.00 0.00 41.25 39.95 2d9i s ASN 53 CO 0.27 -0.19 1.85 -0.74 -1.51 0.00 0.00 177.10 176.78 2d9i h HIS 54 N 1.04 0.88 0.23 2.20 -0.00 -2.02 -3.15 115.15 114.33 2d9i h HIS 54 Ca -0.50 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.87 2d9i h HIS 54 Cb 1.23 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 2d9i h HIS 54 CO 0.45 0.57 -0.11 1.03 -0.00 0.00 0.00 177.93 179.87 2d9i h SER 55 N 0.93 -0.27 -3.12 3.26 0.87 -2.06 -3.43 113.55 109.73 2d9i h SER 55 Ca 0.25 -0.26 -0.53 0.00 -1.23 0.00 0.00 61.79 60.01 2d9i h SER 55 Cb -0.07 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2d9i h SER 55 CO -0.05 0.21 0.62 -1.58 -0.53 0.00 0.00 176.83 175.50 2d9i s GLN 56 N -3.89 4.39 -0.39 2.24 0.74 -1.19 -4.95 119.66 116.61 2d9i s GLN 56 Ca -0.13 1.84 0.08 0.00 0.05 0.00 0.00 55.36 57.21 2d9i s GLN 56 Cb 0.01 -3.36 0.44 0.00 1.10 0.00 0.00 33.01 31.20 2d9i s GLN 56 CO 0.49 -0.33 1.10 0.41 -0.55 0.00 0.00 175.29 176.40 2d9i n GLY 57 N 3.32 5.11 3.48 2.59 0.00 -1.26 -3.87 105.19 114.55 2d9i n GLY 57 Ca 0.10 -2.42 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 2d9i n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d9i s GLY 58 N -3.49 1.52 0.43 -0.02 0.00 -1.26 -5.07 107.32 99.43 2d9i s GLY 58 Ca 0.44 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 44.36 2d9i s GLY 58 CO -0.10 0.06 0.30 -1.34 0.00 0.00 0.00 173.10 172.02 2d9i s VAL 59 N -2.70 2.38 -0.12 1.40 -7.23 -1.26 -5.12 120.40 107.74 2d9i s VAL 59 Ca 0.70 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.26 2d9i s VAL 59 Cb -0.12 -2.88 0.03 0.00 0.56 0.00 0.00 36.38 33.98 2d9i s VAL 59 CO 0.57 0.00 0.31 0.00 -0.31 0.00 0.00 175.10 175.67 2d9i s ALA 60 N -2.57 -0.76 -2.04 1.32 0.00 -1.26 -5.03 121.76 111.43 2d9i s ALA 60 Ca 0.43 0.92 0.17 0.00 0.00 0.00 0.00 51.96 53.48 2d9i s ALA 60 Cb -0.00 -0.54 0.11 0.00 0.00 0.00 0.00 23.12 22.68 2d9i s ALA 60 CO 0.25 -0.16 1.01 0.54 0.00 0.00 0.00 175.76 177.40 2d9i n ARG 61 N 3.11 1.47 -0.03 0.00 1.74 -1.26 -4.54 116.66 117.15 2d9i n ARG 61 Ca -0.15 -1.39 -0.00 0.00 -0.77 0.00 0.00 57.85 55.54 2d9i n ARG 61 Cb 0.57 -1.32 -0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 3.09 0.00 -0.98 0.55 2.04 -1.95 -3.30 117.51 116.96 2d9i h ILE 62 Ca 0.00 -0.47 0.19 0.00 1.00 0.00 0.00 64.86 65.59 2d9i h ILE 62 Cb 0.69 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.59 2d9i h ILE 62 CO 0.00 0.00 -0.25 0.50 0.00 0.00 0.00 178.15 178.40 2d9i h LYS 63 N -0.47 -0.00 -0.16 2.37 3.11 -1.90 -0.94 116.57 118.59 2d9i h LYS 63 Ca 0.00 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2d9i h LYS 63 Cb 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.23 2d9i h LYS 63 CO 0.00 -0.00 -0.44 -1.35 -2.81 0.00 0.00 179.45 174.85 2d9i h PRO 64 N -0.00 -0.42 0.35 1.90 0.11 -1.80 -1.33 132.00 130.81 2d9i h PRO 64 Ca 0.47 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.60 2d9i h PRO 64 Cb 0.71 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 2d9i h PRO 64 CO -1.01 -0.28 -0.50 0.00 -0.21 0.00 0.00 178.00 176.00 2d9i h ALA 65 N -0.48 -1.06 -0.98 -0.75 0.00 -1.28 -2.26 119.26 112.45 2d9i h ALA 65 Ca 0.03 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2d9i h ALA 65 Cb 0.53 0.78 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 2d9i h ALA 65 CO -0.38 -1.15 -0.36 0.28 0.00 0.00 0.00 179.25 177.64 2d9i n VAL 66 N -5.53 -0.50 -0.30 0.00 0.31 -0.69 0.13 118.33 111.75 2d9i n VAL 66 Ca -0.11 2.30 0.07 0.00 -0.01 0.00 0.00 64.34 66.59 2d9i n VAL 66 Cb 0.44 -3.06 0.28 0.00 -0.91 0.00 0.00 33.84 30.59 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 0.97 -0.40 2.52 2.04 -0.89 0.14 117.51 121.90 2d9i h ILE 67 Ca 0.36 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.75 2d9i h ILE 67 Cb 0.61 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2d9i h ILE 67 CO -0.98 0.17 -0.36 0.50 0.00 0.00 0.00 178.15 177.48 2d9i h LYS 68 N 0.93 0.94 -0.23 2.37 3.64 0.17 -2.23 116.57 122.15 2d9i h LYS 68 Ca 0.43 -0.47 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2d9i h LYS 68 Cb 0.39 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2d9i h LYS 68 CO -0.19 1.13 -0.39 -0.92 -2.27 0.00 0.00 179.45 176.81 2d9i h TYR 69 N 0.77 0.63 0.52 1.91 5.03 0.41 -2.28 116.97 123.97 2d9i h TYR 69 Ca 0.07 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 2d9i h TYR 69 Cb 0.94 -0.14 0.01 0.00 1.55 0.00 0.00 36.73 39.09 2d9i h TYR 69 CO 0.06 0.85 -0.25 -0.07 -1.32 0.00 0.00 178.16 177.43 2d9i h LEU 70 N 0.44 -0.59 -0.68 2.82 3.38 -0.68 -2.69 115.31 117.30 2d9i h LEU 70 Ca 0.04 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2d9i h LEU 70 Cb 0.88 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.69 2d9i h LEU 70 CO 0.08 -0.30 0.16 0.40 0.09 0.00 0.00 178.44 178.87 2d9i h ILE 71 N -0.95 0.57 -0.87 1.22 2.04 -1.48 0.26 117.51 118.29 2d9i h ILE 71 Ca -0.07 -0.09 0.14 0.00 1.00 0.00 0.00 64.86 65.83 2d9i h ILE 71 Cb 0.54 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.80 2d9i h ILE 71 CO 0.12 0.05 0.47 0.77 0.00 0.00 0.00 178.15 179.56 2d9i h SER 72 N 0.27 0.61 -0.20 1.72 4.64 -1.45 0.35 113.55 119.51 2d9i h SER 72 Ca 0.37 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2d9i h SER 72 Cb 0.60 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2d9i h SER 72 CO -0.46 0.28 0.00 1.41 -0.87 0.00 0.00 176.83 177.19 2d9i n HIS 73 N -4.81 0.25 -3.28 4.77 8.25 0.01 -4.93 115.22 115.48 2d9i n HIS 73 Ca 0.17 -0.12 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 2d9i n HIS 73 Cb 0.40 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.58 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 0.44 -3.84 -4.67 0.41 2.88 0.12 -4.99 113.62 103.97 2d9i n SER 74 Ca 0.16 -0.47 -0.38 0.00 -1.33 0.00 0.00 58.87 56.85 2d9i n SER 74 Cb 0.35 -4.21 -0.07 0.00 -0.75 0.00 0.00 64.21 59.53 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 -3.28 3.38 -0.02 0.66 0.08 0.62 -4.97 117.98 114.47 2d9i s PHE 75 Ca 0.24 0.64 -0.28 0.00 0.12 0.00 0.00 56.93 57.66 2d9i s PHE 75 Cb -0.11 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 2d9i s PHE 75 CO 0.59 -0.00 0.89 0.50 -0.10 0.00 0.00 175.22 177.10 2d9i s ARG 76 N 1.27 4.52 0.22 0.44 3.52 -1.26 -4.38 118.95 123.29 2d9i s ARG 76 Ca 0.20 1.24 -0.04 0.00 -0.13 0.00 0.00 55.73 57.00 2d9i s ARG 76 Cb -0.15 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2d9i s ARG 76 CO 0.08 0.00 0.25 -0.59 -0.81 0.00 0.00 175.30 174.23 2d9i s PHE 77 N 0.88 0.95 0.12 5.12 -0.71 -1.26 -0.52 117.98 122.57 2d9i s PHE 77 Ca 0.47 -1.20 -0.15 0.00 -1.04 0.00 0.00 56.93 55.01 2d9i s PHE 77 Cb -0.20 -0.33 0.03 0.00 -1.21 0.00 0.00 43.02 41.31 2d9i s PHE 77 CO 0.25 -0.77 0.38 -1.12 -1.34 0.00 0.00 175.22 172.62 2d9i s SER 78 N -3.13 -0.20 -0.31 1.98 0.01 0.49 -4.98 113.70 107.56 2d9i s SER 78 Ca 0.34 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 57.22 2d9i s SER 78 Cb 0.04 0.46 0.05 0.00 0.21 0.00 0.00 66.02 66.78 2d9i s SER 78 CO 0.12 -0.84 0.03 -0.70 0.41 0.00 0.00 173.24 172.26 2d9i s GLU 79 N -3.80 2.50 -0.15 12.44 2.12 -1.26 -1.63 118.70 128.92 2d9i s GLU 79 Ca 0.03 -1.23 0.11 0.00 0.36 0.00 0.00 54.97 54.24 2d9i s GLU 79 Cb 0.02 -3.27 -0.23 0.00 0.26 0.00 0.00 34.13 30.91 2d9i s GLU 79 CO -0.12 -0.63 0.24 0.44 -0.54 0.00 0.00 175.26 174.65 2d9i n ILE 80 N 4.69 1.52 -4.08 -3.70 -5.35 -1.26 -5.00 119.36 106.18 2d9i n ILE 80 Ca -0.13 -0.77 -0.08 0.00 -0.27 0.00 0.00 62.75 61.50 2d9i n ILE 80 Cb 0.44 -0.95 -0.10 0.00 -1.74 0.00 0.00 39.64 37.29 2d9i n ILE 80 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2d9i s LYS 81 N -2.54 0.57 -1.05 6.28 -2.85 -1.26 -5.07 119.74 113.82 2d9i s LYS 81 Ca -0.14 -1.10 -0.24 0.00 -1.00 0.00 0.00 55.97 53.50 2d9i s LYS 81 Cb 0.07 0.13 -0.07 0.00 -2.06 0.00 0.00 37.83 35.90 2d9i s LYS 81 CO 0.78 -0.08 1.94 -1.25 0.10 0.00 0.00 175.35 176.84 2d9i s PRO 82 N -3.34 2.52 0.00 1.78 0.04 -1.26 -2.06 135.00 132.67 2d9i s PRO 82 Ca 0.02 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.33 2d9i s PRO 82 Cb 0.04 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2d9i s PRO 82 CO -0.07 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 173.69 2d9i n GLY 83 N 6.32 -0.07 3.25 0.56 0.00 -1.26 -4.16 105.19 109.83 2d9i n GLY 83 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.96 0.44 -0.19 0.00 1.43 0.12 -4.40 118.68 114.11 2d9i s LEU 85 Ca 0.05 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 2d9i s LEU 85 Cb -0.09 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 2d9i s LEU 85 CO 0.04 -0.35 0.45 -0.75 0.23 0.00 0.00 176.35 175.97 2d9i s LYS 86 N 2.11 4.21 -0.09 1.70 2.20 -0.65 -1.78 119.74 127.44 2d9i s LYS 86 Ca 0.02 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2d9i s LYS 86 Cb -0.16 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 2d9i s LYS 86 CO -0.09 -0.03 -0.14 0.08 -0.36 0.00 0.00 175.35 174.81 2d9i s VAL 87 N 1.28 3.08 -0.27 4.02 1.01 -0.80 -0.37 120.40 128.34 2d9i s VAL 87 Ca 0.22 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 2d9i s VAL 87 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2d9i s VAL 87 CO 0.09 0.56 0.59 -0.04 0.00 0.00 0.00 175.10 176.30 2d9i s MET 88 N -0.25 4.03 -0.32 2.72 -1.94 0.33 -0.52 119.30 123.34 2d9i s MET 88 Ca 0.01 0.39 -0.29 0.00 -1.71 0.00 0.00 55.69 54.10 2d9i s MET 88 Cb -0.13 -3.67 -0.01 0.00 2.01 0.00 0.00 34.83 33.03 2d9i s MET 88 CO 0.03 -0.44 1.49 -0.51 -0.01 0.00 0.00 175.02 175.58 2d9i s LEU 89 N 2.46 3.72 0.03 -0.03 1.43 0.13 -4.45 118.68 121.97 2d9i s LEU 89 Ca 0.24 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 2d9i s LEU 89 Cb -0.15 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2d9i s LEU 89 CO 0.10 -1.34 1.18 -1.59 0.23 0.00 0.00 176.35 174.92 2d9i s LYS 90 N 4.79 4.43 0.14 1.70 -2.85 -1.26 -4.92 119.74 121.76 2d9i s LYS 90 Ca 0.65 1.71 -0.19 0.00 -1.00 0.00 0.00 55.97 57.15 2d9i s LYS 90 Cb -0.19 -3.40 -0.07 0.00 -2.06 0.00 0.00 37.83 32.11 2d9i s LYS 90 CO 0.30 -0.27 0.63 0.45 0.10 0.00 0.00 175.35 176.55 2d9i s SER 91 N 1.15 7.05 0.00 0.03 0.15 -1.26 -5.00 113.70 115.81 2d9i s SER 91 Ca 0.57 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2d9i s SER 91 Cb -0.28 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2d9i s SER 91 CO 0.28 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.49 2d9i n GLY 92 N 1.25 4.88 3.65 9.45 0.00 -1.26 -5.14 105.19 118.01 2d9i n GLY 92 Ca -0.07 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -4.97 -0.08 -0.45 1.61 0.04 -1.26 -5.01 135.00 124.89 2d9i s PRO 93 Ca 0.00 0.34 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 2d9i s PRO 93 Cb 0.00 -1.69 0.10 0.00 0.04 0.00 0.00 34.50 32.95 2d9i s PRO 93 CO 0.00 -3.03 0.31 0.45 0.04 0.00 0.00 177.00 174.77 2d9i s SER 94 N -3.56 5.69 1.08 6.66 0.15 -1.26 -5.08 113.70 117.38 2d9i s SER 94 Ca 0.67 -1.71 -0.12 0.00 0.70 0.00 0.00 55.95 55.49 2d9i s SER 94 Cb -0.16 -2.01 0.24 0.00 -1.71 0.00 0.00 66.02 62.38 2d9i s SER 94 CO 0.57 -0.62 1.07 -0.44 1.20 0.00 0.00 173.24 175.02 2d9i s SER 95 N 2.43 1.61 0.00 5.45 0.01 -1.26 -5.38 113.70 116.56 2d9i s SER 95 Ca 0.04 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.06 2d9i s SER 95 Cb -0.25 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2d9i s SER 95 CO 0.01 -3.84 0.58 0.61 0.41 0.00 0.00 173.24 171.00