#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i n SER 2 N 0.00 -0.73 -0.10 1.61 7.64 -1.26 -2.92 113.62 117.86 2d9i n SER 2 Ca 0.00 1.28 -0.17 0.00 1.01 0.00 0.00 58.87 60.99 2d9i n SER 2 Cb 0.00 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 2d9i n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d9i n SER 3 N -4.77 1.86 -3.96 6.43 2.88 -1.26 -4.95 113.62 109.85 2d9i n SER 3 Ca 0.01 0.48 -0.22 0.00 -1.33 0.00 0.00 58.87 57.81 2d9i n SER 3 Cb 0.18 -0.91 -0.16 0.00 -0.75 0.00 0.00 64.21 62.56 2d9i n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d9i s GLY 4 N -4.74 0.61 0.17 0.46 0.00 -1.15 -5.03 107.32 97.64 2d9i s GLY 4 Ca -0.26 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.10 2d9i s GLY 4 CO 0.46 0.27 1.78 1.48 0.00 0.00 0.00 173.10 177.09 2d9i h SER 5 N 7.05 0.30 -4.24 1.64 4.64 -1.93 -3.28 113.55 117.74 2d9i h SER 5 Ca -0.35 0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.53 2d9i h SER 5 Cb 1.17 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 63.09 2d9i h SER 5 CO 0.48 0.22 -0.55 -0.44 -0.87 0.00 0.00 176.83 175.67 2d9i s SER 6 N -5.46 1.96 0.00 4.97 0.01 -1.26 -4.13 113.70 109.80 2d9i s SER 6 Ca -0.13 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.54 2d9i s SER 6 Cb 0.13 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2d9i s SER 6 CO 0.72 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2d9i n GLY 7 N -0.68 1.69 3.09 3.44 0.00 -1.26 -5.09 105.19 106.38 2d9i n GLY 7 Ca -0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.20 0.44 0.40 1.61 -0.21 -1.26 -5.03 119.66 112.41 2d9i s GLN 8 Ca 0.00 -0.33 0.21 0.00 0.02 0.00 0.00 55.36 55.26 2d9i s GLN 8 Cb 0.00 0.18 1.18 0.00 1.00 0.00 0.00 33.01 35.38 2d9i s GLN 8 CO 0.00 -0.10 1.72 -0.91 -2.12 0.00 0.00 175.29 173.88 2d9i h ASN 9 N 4.50 0.40 -3.39 5.90 2.35 -2.00 -3.37 115.58 119.97 2d9i h ASN 9 Ca -0.30 0.11 -0.58 0.00 -0.55 0.00 0.00 56.30 54.97 2d9i h ASN 9 Cb 1.19 0.05 -0.08 0.00 0.05 0.00 0.00 38.32 39.53 2d9i h ASN 9 CO 0.41 -0.00 0.08 0.54 -1.65 0.00 0.00 177.43 176.80 2d9i s VAL 10 N -5.46 5.05 -0.40 2.81 0.11 -1.26 -4.15 120.40 117.10 2d9i s VAL 10 Ca -0.09 1.21 -0.13 0.00 -2.93 0.00 0.00 61.98 60.04 2d9i s VAL 10 Cb 0.27 -3.95 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 2d9i s VAL 10 CO 0.80 0.17 0.27 -0.22 -3.33 0.00 0.00 175.10 172.80 2d9i s LEU 11 N 1.50 5.03 -0.47 2.54 2.96 -0.90 -5.02 118.68 124.32 2d9i s LEU 11 Ca 0.30 -1.02 -0.28 0.00 -0.22 0.00 0.00 54.13 52.91 2d9i s LEU 11 Cb -0.16 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 2d9i s LEU 11 CO 0.12 -0.45 1.61 1.51 -1.32 0.00 0.00 176.35 177.81 2d9i s ASP 12 N 1.76 5.95 -0.06 3.68 -4.77 -1.26 -3.25 116.67 118.72 2d9i s ASP 12 Ca 0.04 0.72 0.07 0.00 -3.30 0.00 0.00 52.55 50.08 2d9i s ASP 12 Cb -0.20 -2.54 -0.24 0.00 -1.09 0.00 0.00 42.92 38.86 2d9i s ASP 12 CO 0.08 -1.77 0.60 -0.07 0.70 0.00 0.00 175.17 174.71 2d9i h LEU 13 N 13.68 0.13 -9.23 2.11 3.38 -1.03 -3.46 115.31 120.89 2d9i h LEU 13 Ca -0.29 -0.28 -0.66 0.00 0.09 0.00 0.00 57.88 56.74 2d9i h LEU 13 Cb 1.13 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.86 2d9i h LEU 13 CO 1.12 1.25 1.02 0.00 0.09 0.00 0.00 178.44 181.92 2d9i n HIS 14 N -3.18 2.23 0.00 1.13 1.44 -0.77 -1.72 115.22 114.35 2d9i n HIS 14 Ca -0.21 0.20 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2d9i n HIS 14 Cb 1.05 -2.59 0.00 0.00 0.12 0.00 0.00 29.99 28.57 2d9i n HIS 14 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2d9i n GLY 15 N 4.32 2.33 3.92 -1.39 0.00 -1.26 -5.03 105.19 108.07 2d9i n GLY 15 Ca 0.24 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 2.64 0.12 0.99 1.43 -0.70 -5.06 118.68 118.10 2d9i s LEU 16 Ca 0.00 0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 2d9i s LEU 16 Cb 0.00 -2.69 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 2d9i s LEU 16 CO 0.00 -2.37 0.50 -2.28 0.23 0.00 0.00 176.35 172.43 2d9i s HIS 17 N -3.74 3.61 0.13 0.29 5.65 -1.26 -4.81 115.29 115.15 2d9i s HIS 17 Ca 0.69 0.98 -0.19 0.00 0.25 0.00 0.00 55.06 56.79 2d9i s HIS 17 Cb -0.07 -2.31 0.02 0.00 -1.18 0.00 0.00 32.58 29.05 2d9i s HIS 17 CO 0.51 0.47 1.11 0.28 -0.65 0.00 0.00 174.74 176.46 2d9i n VAL 18 N 0.89 -0.45 -0.14 0.89 0.31 -1.26 0.11 118.33 118.67 2d9i n VAL 18 Ca -0.07 1.72 -0.04 0.00 -0.01 0.00 0.00 64.34 65.95 2d9i n VAL 18 Cb 0.52 -2.17 0.03 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.34 0.74 4.52 3.58 -1.95 -0.08 116.42 122.89 2d9i h ASP 19 Ca 0.16 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 2d9i h ASP 19 Cb 0.34 0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.64 2d9i h ASP 19 CO -0.69 -0.12 -0.36 -0.33 -2.88 0.00 0.00 179.24 174.87 2d9i h GLU 20 N 0.04 -0.96 -0.68 0.28 4.39 0.39 -1.75 114.58 116.28 2d9i h GLU 20 Ca 0.22 0.07 0.14 0.00 0.34 0.00 0.00 59.36 60.13 2d9i h GLU 20 Cb 0.34 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.08 2d9i h GLU 20 CO -0.43 -0.63 -0.13 0.00 -1.16 0.00 0.00 179.01 176.66 2d9i h ALA 21 N -0.80 0.51 0.45 3.43 0.00 -0.09 0.56 119.26 123.32 2d9i h ALA 21 Ca -0.10 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2d9i h ALA 21 Cb 0.77 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2d9i h ALA 21 CO 0.17 -0.42 -0.31 -0.07 0.00 0.00 0.00 179.25 178.62 2d9i h LEU 22 N 0.02 -0.80 -0.92 0.00 3.38 -0.91 0.21 115.31 116.30 2d9i h LEU 22 Ca 0.34 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.62 2d9i h LEU 22 Cb 0.54 0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 2d9i h LEU 22 CO -0.68 -0.45 0.38 -0.33 0.09 0.00 0.00 178.44 177.45 2d9i h GLU 23 N -0.72 0.29 0.02 1.13 5.08 -0.80 0.47 114.58 120.06 2d9i h GLU 23 Ca -0.06 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2d9i h GLU 23 Cb 0.59 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2d9i h GLU 23 CO 0.04 0.19 -0.01 0.45 -1.00 0.00 0.00 179.01 178.68 2d9i h HIS 24 N 0.30 -0.03 -0.82 4.33 3.86 -0.58 -2.28 115.15 119.94 2d9i h HIS 24 Ca 0.61 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 60.00 2d9i h HIS 24 Cb 1.27 0.01 -0.11 0.00 1.06 0.00 0.00 27.41 29.63 2d9i h HIS 24 CO -0.15 0.25 0.30 1.25 0.86 0.00 0.00 177.93 180.43 2d9i h LEU 25 N -0.30 0.20 -0.06 2.43 5.85 0.16 0.28 115.31 123.86 2d9i h LEU 25 Ca -0.00 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2d9i h LEU 25 Cb 0.29 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2d9i h LEU 25 CO 0.00 0.01 0.02 0.24 -0.34 0.00 0.00 178.44 178.37 2d9i h MET 26 N 0.36 0.10 0.74 1.25 2.86 -1.22 -0.42 114.93 118.60 2d9i h MET 26 Ca 0.48 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.06 2d9i h MET 26 Cb 0.85 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2d9i h MET 26 CO -0.50 0.29 -0.39 0.00 1.06 0.00 0.00 176.91 177.37 2d9i h ARG 27 N -0.11 -1.00 -0.13 1.72 2.47 -0.57 -2.22 114.38 114.54 2d9i h ARG 27 Ca 0.02 0.07 0.04 0.00 -1.26 0.00 0.00 59.98 58.85 2d9i h ARG 27 Cb 0.24 0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2d9i h ARG 27 CO 0.00 -0.67 0.13 -0.39 0.56 0.00 0.00 179.97 179.61 2d9i h VAL 28 N -1.04 0.57 -0.20 2.04 -1.51 -0.56 0.26 116.25 115.82 2d9i h VAL 28 Ca -0.10 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.26 2d9i h VAL 28 Cb 0.81 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 2d9i h VAL 28 CO 0.14 0.00 -0.34 -0.07 -1.23 0.00 0.00 177.57 176.07 2d9i h LEU 29 N 0.00 0.43 0.04 4.19 3.38 -0.48 0.26 115.31 123.13 2d9i h LEU 29 Ca 0.06 -0.17 -0.33 0.00 0.09 0.00 0.00 57.88 57.54 2d9i h LEU 29 Cb 0.33 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2d9i h LEU 29 CO -0.00 0.74 -1.91 -0.62 0.09 0.00 0.00 178.44 176.75 2d9i n GLU 30 N -4.07 0.68 0.01 1.13 1.02 -0.17 -3.70 120.64 115.55 2d9i n GLU 30 Ca -0.01 0.25 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 2d9i n GLU 30 Cb 0.45 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 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 -0.13 0.12 3.49 1.63 -0.56 -2.93 116.57 118.21 2d9i h LYS 31 Ca -0.37 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2d9i h LYS 31 Cb 2.04 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.67 2d9i h LYS 31 CO 0.07 0.38 -0.31 0.87 -3.45 0.00 0.00 179.45 177.00 2d9i h LYS 32 N -0.87 -0.46 -0.14 1.90 1.79 -0.68 -0.01 116.57 118.10 2d9i h LYS 32 Ca -0.01 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2d9i h LYS 32 Cb 0.56 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2d9i h LYS 32 CO 0.02 -0.31 0.42 0.00 -1.08 0.00 0.00 179.45 178.50 2d9i h THR 33 N -0.48 0.11 0.17 -0.16 1.03 -1.71 -2.48 112.91 109.39 2d9i h THR 33 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.38 2d9i h THR 33 Cb 0.46 0.61 -0.00 0.00 -1.07 0.00 0.00 68.15 68.15 2d9i h THR 33 CO -0.14 0.00 -0.11 -0.08 -0.01 0.00 0.00 175.52 175.17 2d9i h GLU 34 N 0.00 -0.26 -0.49 0.00 4.81 -0.79 -1.76 114.58 116.09 2d9i h GLU 34 Ca 0.06 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2d9i h GLU 34 Cb 0.90 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2d9i h GLU 34 CO -0.00 -0.17 0.22 0.93 -0.73 0.00 0.00 179.01 179.25 2d9i h GLU 35 N -0.27 0.68 -0.93 1.92 4.39 -1.41 0.57 114.58 119.52 2d9i h GLU 35 Ca -0.02 -0.08 0.14 0.00 0.34 0.00 0.00 59.36 59.73 2d9i h GLU 35 Cb 0.22 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.66 2d9i h GLU 35 CO 0.02 0.54 0.60 0.35 -1.16 0.00 0.00 179.01 179.36 2d9i h PHE 36 N 0.68 0.93 0.00 4.33 3.57 -1.35 0.86 116.94 125.97 2d9i h PHE 36 Ca 0.17 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 2d9i h PHE 36 Cb 0.10 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2d9i h PHE 36 CO 0.01 0.34 -0.85 0.87 -2.23 0.00 0.00 178.31 176.45 2d9i h LYS 37 N 0.78 0.00 0.26 1.11 1.57 -0.72 -2.83 116.57 116.75 2d9i h LYS 37 Ca 0.47 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.26 2d9i h LYS 37 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2d9i h LYS 37 CO -0.24 0.53 -0.38 1.96 -0.57 0.00 0.00 179.45 180.75 2d9i h GLN 38 N -1.00 -0.67 0.00 3.15 4.20 -0.83 -3.38 115.11 116.57 2d9i h GLN 38 Ca -0.17 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2d9i h GLN 38 Cb 0.90 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2d9i h GLN 38 CO -0.11 -0.45 -0.14 0.09 -0.67 0.00 0.00 178.83 177.56 2d9i n ASN 39 N -5.46 0.34 0.00 1.46 3.02 0.19 -5.05 115.26 109.75 2d9i n ASN 39 Ca -0.09 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2d9i n ASN 39 Cb 0.37 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2d9i n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d9i n GLY 40 N 1.61 3.69 0.00 7.41 0.00 0.24 -4.96 105.19 113.18 2d9i n GLY 40 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.13 -1.30 3.76 -0.02 0.00 -1.11 -4.26 105.19 101.12 2d9i n GLY 41 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.67 4.53 0.00 1.61 1.02 -1.26 -4.90 119.74 120.06 2d9i s LYS 42 Ca 0.00 1.92 0.14 0.00 0.02 0.00 0.00 55.97 58.05 2d9i s LYS 42 Cb 0.00 -3.13 0.81 0.00 -0.52 0.00 0.00 37.83 34.99 2d9i s LYS 42 CO 0.00 0.07 1.23 -0.35 -0.92 0.00 0.00 175.35 175.38 2d9i n PRO 43 N 1.02 0.49 -4.33 -1.68 -0.04 -1.26 -4.74 135.00 124.45 2d9i n PRO 43 Ca -0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.28 2d9i n PRO 43 Cb 0.44 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.56 -0.07 0.54 1.13 -1.26 -2.20 117.35 115.05 2d9i s TYR 44 Ca 0.20 -1.25 0.01 0.00 -1.41 0.00 0.00 57.07 54.62 2d9i s TYR 44 Cb 0.09 -0.88 0.02 0.00 -1.10 0.00 0.00 41.96 40.09 2d9i s TYR 44 CO 0.16 -0.40 -0.07 -1.17 -2.51 0.00 0.00 175.55 171.55 2d9i s LEU 45 N -3.34 1.32 -0.24 -3.49 2.96 -0.44 -4.86 118.68 110.59 2d9i s LEU 45 Ca 0.37 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 2d9i s LEU 45 Cb 0.07 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 46.14 2d9i s LEU 45 CO 0.15 -0.05 1.03 -0.44 -1.32 0.00 0.00 176.35 175.71 2d9i s SER 46 N 1.10 7.05 -0.17 3.68 0.01 -1.26 -2.94 113.70 121.17 2d9i s SER 46 Ca -0.08 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2d9i s SER 46 Cb -0.14 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2d9i s SER 46 CO -0.01 -0.68 -0.17 -0.69 0.41 0.00 0.00 173.24 172.10 2d9i s VAL 47 N 3.23 2.44 -0.33 3.43 1.01 -0.18 -2.11 120.40 127.89 2d9i s VAL 47 Ca 0.43 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2d9i s VAL 47 Cb -0.15 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.25 2d9i s VAL 47 CO 0.07 0.52 0.07 -0.63 0.00 0.00 0.00 175.10 175.13 2d9i s ILE 48 N 1.07 3.37 -0.15 2.22 1.01 -1.20 -0.24 121.20 127.28 2d9i s ILE 48 Ca -0.01 -1.34 0.09 0.00 0.00 0.00 0.00 60.65 59.39 2d9i s ILE 48 Cb -0.14 -2.97 -0.23 0.00 0.01 0.00 0.00 42.46 39.13 2d9i s ILE 48 CO -0.05 -0.20 0.24 0.35 0.00 0.00 0.00 174.94 175.28 2d9i n THR 49 N 4.70 1.54 0.00 2.92 -2.24 -1.26 -0.36 114.28 119.58 2d9i n THR 49 Ca -0.12 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2d9i n THR 49 Cb 0.44 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 1.83 2.60 3.99 3.38 0.00 -1.25 -3.24 105.19 112.49 2d9i n GLY 50 Ca -0.30 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.43 2d9i n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d9i s ARG 51 N -1.95 2.31 -0.16 1.61 0.52 -1.26 -4.51 118.95 115.51 2d9i s ARG 51 Ca 0.00 -1.03 -0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2d9i s ARG 51 Cb 0.00 -2.49 0.04 0.00 0.52 0.00 0.00 34.95 33.01 2d9i s ARG 51 CO 0.00 -0.88 -0.06 0.20 0.02 0.00 0.00 175.30 174.58 2d9i s GLY 52 N -4.53 0.94 -0.16 -3.53 0.00 -1.26 -4.80 107.32 93.98 2d9i s GLY 52 Ca 0.60 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.55 2d9i s GLY 52 CO 0.39 0.90 -0.19 0.54 0.00 0.00 0.00 173.10 174.75 2d9i s ASN 53 N 1.64 3.29 0.38 1.64 2.20 -1.26 -4.99 114.94 117.84 2d9i s ASN 53 Ca 0.02 -0.58 0.21 0.00 -0.94 0.00 0.00 52.86 51.56 2d9i s ASN 53 Cb -0.15 -1.49 0.53 0.00 -2.00 0.00 0.00 41.25 38.14 2d9i s ASN 53 CO -0.08 0.05 1.66 1.12 -2.94 0.00 0.00 177.10 176.91 2d9i h HIS 54 N 7.54 0.00 -0.37 1.54 2.07 -1.91 -3.10 115.15 120.92 2d9i h HIS 54 Ca -0.37 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.17 2d9i h HIS 54 Cb 1.17 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.13 2d9i h HIS 54 CO 0.48 0.29 0.21 0.66 -3.07 0.00 0.00 177.93 176.51 2d9i h SER 55 N 0.00 0.34 -0.19 3.10 4.64 -1.98 -2.80 113.55 116.66 2d9i h SER 55 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2d9i h SER 55 Cb 1.01 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2d9i h SER 55 CO 0.04 0.25 -0.67 -0.61 -0.87 0.00 0.00 176.83 174.97 2d9i h GLN 56 N 0.43 0.81 0.00 4.77 -0.00 -2.00 -3.48 115.11 115.64 2d9i h GLN 56 Ca 0.15 -0.59 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2d9i h GLN 56 Cb 0.01 0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.59 2d9i h GLN 56 CO -0.07 1.21 0.00 0.41 0.00 0.00 0.00 178.83 180.38 2d9i n GLY 57 N 0.53 2.88 3.47 2.39 0.00 -1.06 -5.03 105.19 108.37 2d9i n GLY 57 Ca -0.06 -0.77 -0.50 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 0.59 3.96 -0.02 0.00 -1.26 -4.88 105.19 103.57 2d9i n GLY 58 Ca 0.00 0.92 -0.27 0.00 0.00 0.00 0.00 46.02 46.67 2d9i n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d9i s VAL 59 N 7.16 2.06 -0.18 1.61 -7.23 -1.26 -4.62 120.40 117.94 2d9i s VAL 59 Ca 1.08 -0.28 -0.06 0.00 -1.81 0.00 0.00 61.98 60.91 2d9i s VAL 59 Cb -0.81 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 2d9i s VAL 59 CO 0.48 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.29 2d9i s ALA 60 N -3.54 3.18 -0.54 1.32 0.00 -1.26 -4.96 121.76 115.95 2d9i s ALA 60 Ca 0.70 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2d9i s ALA 60 Cb -0.04 -1.78 0.08 0.00 0.00 0.00 0.00 23.12 21.37 2d9i s ALA 60 CO 0.49 0.08 0.84 0.54 0.00 0.00 0.00 175.76 177.71 2d9i n ARG 61 N 3.76 1.00 -0.01 0.00 1.74 -1.26 -4.62 116.66 117.27 2d9i n ARG 61 Ca -0.17 -1.18 -0.00 0.00 -0.77 0.00 0.00 57.85 55.73 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 0.95 0.00 -0.71 0.55 2.04 -1.93 -3.28 117.51 115.14 2d9i h ILE 62 Ca 0.00 -0.20 0.14 0.00 1.00 0.00 0.00 64.86 65.80 2d9i h ILE 62 Cb 0.37 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.31 2d9i h ILE 62 CO 0.00 0.00 -0.16 0.50 0.00 0.00 0.00 178.15 178.49 2d9i h LYS 63 N -0.20 0.01 -0.18 2.37 3.64 -1.88 -1.59 116.57 118.74 2d9i h LYS 63 Ca 0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2d9i h LYS 63 Cb 0.04 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 2d9i h LYS 63 CO 0.00 0.01 -0.51 -1.35 -2.27 0.00 0.00 179.45 175.33 2d9i h PRO 64 N 0.01 -0.49 -0.60 1.90 0.11 -1.82 -0.79 132.00 130.32 2d9i h PRO 64 Ca 0.35 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.58 2d9i h PRO 64 Cb 0.54 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 2d9i h PRO 64 CO -0.72 -0.32 0.23 0.00 -0.21 0.00 0.00 178.00 176.97 2d9i h ALA 65 N -0.33 0.77 -0.72 -0.75 0.00 -1.45 -1.59 119.26 115.20 2d9i h ALA 65 Ca 0.04 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2d9i h ALA 65 Cb 0.61 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 2d9i h ALA 65 CO -0.44 -0.19 0.33 0.28 0.00 0.00 0.00 179.25 179.23 2d9i h VAL 66 N 0.41 0.77 -0.62 0.00 2.07 -0.51 -1.25 116.25 117.12 2d9i h VAL 66 Ca 0.30 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2d9i h VAL 66 Cb 0.36 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2d9i h VAL 66 CO -0.30 0.10 0.30 0.40 0.02 0.00 0.00 177.57 178.09 2d9i h ILE 67 N 0.53 0.88 -0.60 4.57 2.04 -0.15 0.22 117.51 124.99 2d9i h ILE 67 Ca 0.37 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 66.01 2d9i h ILE 67 Cb 0.47 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2d9i h ILE 67 CO -0.32 0.10 0.22 0.50 0.00 0.00 0.00 178.15 178.65 2d9i h LYS 68 N 0.54 0.89 -0.23 2.37 3.64 -1.05 -1.95 116.57 120.78 2d9i h LYS 68 Ca 0.29 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 2d9i h LYS 68 Cb 0.26 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2d9i h LYS 68 CO -0.23 0.74 -0.57 -0.92 -2.27 0.00 0.00 179.45 176.20 2d9i h TYR 69 N 0.87 1.02 0.87 1.91 5.03 -0.48 -2.92 116.97 123.26 2d9i h TYR 69 Ca 0.20 -0.39 -0.04 0.00 2.58 0.00 0.00 58.73 61.08 2d9i h TYR 69 Cb 0.20 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.31 2d9i h TYR 69 CO 0.01 1.21 -0.42 -0.07 -1.32 0.00 0.00 178.16 177.57 2d9i h LEU 70 N 0.54 -1.01 -0.83 2.82 3.38 -0.34 -2.85 115.31 117.02 2d9i h LEU 70 Ca -0.01 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.20 2d9i h LEU 70 Cb 1.18 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 42.07 2d9i h LEU 70 CO 0.12 -0.71 0.23 0.40 0.09 0.00 0.00 178.44 178.57 2d9i h ILE 71 N -1.17 0.42 -0.28 1.22 2.04 -1.47 0.16 117.51 118.42 2d9i h ILE 71 Ca -0.12 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.71 2d9i h ILE 71 Cb 0.90 0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 2d9i h ILE 71 CO 0.19 0.05 -0.39 0.28 0.00 0.00 0.00 178.15 178.28 2d9i h SER 72 N 0.26 -1.26 -0.02 1.72 0.02 -1.35 0.45 113.55 113.37 2d9i h SER 72 Ca 0.50 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 2d9i h SER 72 Cb 0.93 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2d9i h SER 72 CO -0.58 -0.37 0.00 1.41 -1.14 0.00 0.00 176.83 176.15 2d9i n HIS 73 N -5.42 0.03 -3.48 3.45 8.25 -0.44 -4.87 115.22 112.74 2d9i n HIS 73 Ca -0.02 -0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2d9i n HIS 73 Cb 0.35 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.53 -5.21 -4.62 0.41 7.64 0.16 -4.94 113.62 106.52 2d9i n SER 74 Ca 0.06 -0.52 -0.43 0.00 1.01 0.00 0.00 58.87 59.00 2d9i n SER 74 Cb 0.05 -4.73 -0.03 0.00 -1.01 0.00 0.00 64.21 58.48 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 -3.31 3.15 0.42 1.43 0.08 0.39 -4.96 117.98 115.18 2d9i s PHE 75 Ca 0.43 0.96 -0.24 0.00 0.12 0.00 0.00 56.93 58.20 2d9i s PHE 75 Cb -0.19 -3.53 -0.08 0.00 -0.57 0.00 0.00 43.02 38.64 2d9i s PHE 75 CO 0.68 -0.72 1.11 0.50 -0.10 0.00 0.00 175.22 176.69 2d9i s ARG 76 N 3.39 4.01 -0.01 0.44 6.06 -1.26 -4.46 118.95 127.12 2d9i s ARG 76 Ca 0.39 1.67 -0.29 0.00 -2.50 0.00 0.00 55.73 55.01 2d9i s ARG 76 Cb -0.13 -2.54 0.10 0.00 0.06 0.00 0.00 34.95 32.45 2d9i s ARG 76 CO 0.15 -0.31 0.89 -0.59 -2.50 0.00 0.00 175.30 172.94 2d9i s PHE 77 N -1.56 -0.35 -0.06 5.12 -0.71 -1.26 -1.73 117.98 117.43 2d9i s PHE 77 Ca 0.59 0.21 -0.03 0.00 -1.04 0.00 0.00 56.93 56.67 2d9i s PHE 77 Cb -0.26 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.13 2d9i s PHE 77 CO 0.32 -0.54 0.14 -1.12 -1.34 0.00 0.00 175.22 172.68 2d9i s SER 78 N -2.47 0.11 -0.56 1.98 0.01 -0.81 -5.01 113.70 106.96 2d9i s SER 78 Ca 0.05 0.28 -0.28 0.00 1.31 0.00 0.00 55.95 57.31 2d9i s SER 78 Cb -0.01 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.41 2d9i s SER 78 CO -0.09 -0.17 1.34 -0.70 0.41 0.00 0.00 173.24 174.03 2d9i s GLU 79 N 1.42 3.39 -0.09 12.44 2.12 -1.26 -3.53 118.70 133.19 2d9i s GLU 79 Ca -0.06 0.41 0.17 0.00 0.36 0.00 0.00 54.97 55.84 2d9i s GLU 79 Cb -0.12 -4.08 -0.23 0.00 0.26 0.00 0.00 34.13 29.96 2d9i s GLU 79 CO -0.06 -1.82 0.41 0.44 -0.54 0.00 0.00 175.26 173.69 2d9i n ILE 80 N 6.81 1.30 -4.15 -3.70 -5.35 -1.26 -4.97 119.36 108.04 2d9i n ILE 80 Ca 0.11 -0.78 -0.15 0.00 -0.27 0.00 0.00 62.75 61.66 2d9i n ILE 80 Cb 0.49 -0.64 -0.11 0.00 -1.74 0.00 0.00 39.64 37.64 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 -2.69 0.77 0.00 6.28 1.02 -1.26 -5.02 119.74 118.85 2d9i s LYS 81 Ca -0.07 -1.02 0.11 0.00 0.02 0.00 0.00 55.97 55.01 2d9i s LYS 81 Cb 0.08 -0.56 0.64 0.00 -0.52 0.00 0.00 37.83 37.47 2d9i s LYS 81 CO 0.83 0.10 1.08 -0.35 -0.92 0.00 0.00 175.35 176.09 2d9i n PRO 82 N 0.94 0.49 -0.45 -1.68 -0.04 -1.26 -2.60 135.00 130.39 2d9i n PRO 82 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2d9i n PRO 82 Cb 0.56 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.39 3.07 0.55 0.00 -1.26 -4.48 105.19 103.43 2d9i n GLY 83 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.22 1.58 -0.24 0.00 1.43 0.66 -4.14 118.68 115.76 2d9i s LEU 85 Ca -0.04 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2d9i s LEU 85 Cb -0.01 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.06 2d9i s LEU 85 CO -0.06 -0.03 -0.05 -0.75 0.23 0.00 0.00 176.35 175.69 2d9i s LYS 86 N 0.48 2.99 -0.11 1.70 2.20 -1.23 -1.01 119.74 124.76 2d9i s LYS 86 Ca -0.05 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 2d9i s LYS 86 Cb -0.07 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2d9i s LYS 86 CO -0.01 -0.35 -0.20 0.08 -0.36 0.00 0.00 175.35 174.51 2d9i s VAL 87 N 1.38 2.41 -0.17 4.02 1.01 -1.15 -1.92 120.40 125.98 2d9i s VAL 87 Ca 0.02 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 2d9i s VAL 87 Cb -0.16 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2d9i s VAL 87 CO -0.04 0.55 0.96 -0.04 0.00 0.00 0.00 175.10 176.53 2d9i s MET 88 N 0.34 4.33 -0.11 2.72 -1.94 -0.71 -1.33 119.30 122.60 2d9i s MET 88 Ca -0.16 1.27 -0.29 0.00 -1.71 0.00 0.00 55.69 54.79 2d9i s MET 88 Cb -0.17 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 2d9i s MET 88 CO 0.08 -0.43 1.44 -0.51 -0.01 0.00 0.00 175.02 175.59 2d9i s LEU 89 N 2.47 4.25 0.10 -0.03 1.43 -0.94 -4.57 118.68 121.39 2d9i s LEU 89 Ca 0.44 1.95 -0.35 0.00 -1.03 0.00 0.00 54.13 55.14 2d9i s LEU 89 Cb -0.17 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.37 2d9i s LEU 89 CO 0.12 -0.83 1.57 0.29 0.23 0.00 0.00 176.35 177.73 2d9i n LYS 90 N 6.79 1.92 -0.02 1.70 5.02 -1.26 -4.90 118.16 127.40 2d9i n LYS 90 Ca 0.15 0.69 -0.13 0.00 -2.02 0.00 0.00 58.31 57.00 2d9i n LYS 90 Cb 0.44 -2.44 -0.10 0.00 -0.02 0.00 0.00 35.03 32.91 2d9i n LYS 90 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2d9i h SER 91 N 6.10 0.05 -3.93 4.39 4.64 -1.97 -3.44 113.55 119.38 2d9i h SER 91 Ca -0.46 -0.54 -0.50 0.00 -0.47 0.00 0.00 61.79 59.83 2d9i h SER 91 Cb 1.27 -0.02 0.03 0.00 -0.31 0.00 0.00 62.40 63.38 2d9i h SER 91 CO 0.88 0.58 0.46 -0.83 -0.87 0.00 0.00 176.83 177.05 2d9i s GLY 92 N -3.31 2.84 0.00 -0.77 0.00 -1.26 -4.92 107.32 99.90 2d9i s GLY 92 Ca -0.16 0.85 0.14 0.00 0.00 0.00 0.00 44.72 45.56 2d9i s GLY 92 CO 0.69 1.34 1.45 -1.55 0.00 0.00 0.00 173.10 175.04 2d9i n PRO 93 N 0.14 0.00 -1.61 2.90 -0.04 -1.26 -4.79 135.00 130.34 2d9i n PRO 93 Ca 0.04 0.25 -0.50 0.00 -0.04 0.00 0.00 63.50 63.25 2d9i n PRO 93 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2d9i n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d9i n SER 94 N -1.50 2.84 -4.17 3.54 2.88 -1.26 -4.95 113.62 111.00 2d9i n SER 94 Ca 0.03 0.77 -0.14 0.00 -1.33 0.00 0.00 58.87 58.20 2d9i n SER 94 Cb 0.17 -1.31 -0.11 0.00 -0.75 0.00 0.00 64.21 62.21 2d9i n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d9i s SER 95 N 5.29 1.42 0.00 -3.46 0.01 -1.26 -5.09 113.70 110.61 2d9i s SER 95 Ca 1.00 -0.79 0.23 0.00 1.31 0.00 0.00 55.95 57.69 2d9i s SER 95 Cb -0.79 0.01 1.38 0.00 0.21 0.00 0.00 66.02 66.83 2d9i s SER 95 CO 0.53 -0.26 1.75 0.61 0.41 0.00 0.00 173.24 176.28