#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 6.79 0.10 1.61 0.15 -1.26 -4.95 113.70 116.13 2d9i s SER 2 Ca 0.00 0.82 -0.19 0.00 0.70 0.00 0.00 55.95 57.27 2d9i s SER 2 Cb 0.00 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2d9i s SER 2 CO 0.00 -0.79 1.24 -1.20 1.20 0.00 0.00 173.24 173.70 2d9i n SER 3 N 6.62 -0.66 0.00 5.45 7.64 -1.26 -3.11 113.62 128.31 2d9i n SER 3 Ca 0.08 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.35 2d9i n SER 3 Cb 0.48 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2d9i n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d9i n GLY 4 N -1.16 0.00 3.33 0.23 0.00 -1.26 -4.78 105.19 101.56 2d9i n GLY 4 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 2.58 0.18 1.61 0.01 -1.18 -5.16 113.70 109.38 2d9i s SER 5 Ca 0.00 -0.94 -0.19 0.00 1.31 0.00 0.00 55.95 56.13 2d9i s SER 5 Cb 0.00 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.13 2d9i s SER 5 CO 0.00 -0.11 0.53 -0.94 0.41 0.00 0.00 173.24 173.13 2d9i s SER 6 N -3.00 -0.33 0.00 2.44 1.04 -1.26 -4.39 113.70 108.20 2d9i s SER 6 Ca 0.19 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2d9i s SER 6 Cb -0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2d9i s SER 6 CO 0.07 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2d9i n GLY 7 N -0.34 -0.12 3.70 7.32 0.00 -1.26 -5.11 105.19 109.38 2d9i n GLY 7 Ca -0.12 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 2d9i n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2d9i s GLN 8 N -1.85 4.24 -0.62 1.61 -2.07 -1.26 -5.04 119.66 114.68 2d9i s GLN 8 Ca 0.00 0.26 -0.23 0.00 -1.82 0.00 0.00 55.36 53.58 2d9i s GLN 8 Cb 0.00 -3.49 0.06 0.00 -1.09 0.00 0.00 33.01 28.50 2d9i s GLN 8 CO 0.00 0.07 0.92 -0.80 -1.32 0.00 0.00 175.29 174.16 2d9i s ASN 9 N 0.81 6.22 -0.11 12.60 -0.87 -1.26 -4.99 114.94 127.34 2d9i s ASN 9 Ca 0.21 -0.82 -0.13 0.00 -1.57 0.00 0.00 52.86 50.55 2d9i s ASN 9 Cb -0.14 -2.41 0.03 0.00 -0.02 0.00 0.00 41.25 38.71 2d9i s ASN 9 CO 0.08 -1.33 0.35 0.54 -2.57 0.00 0.00 177.10 174.17 2d9i s VAL 10 N 3.89 0.01 -0.29 1.60 0.11 -1.26 -3.46 120.40 121.00 2d9i s VAL 10 Ca 0.24 -0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2d9i s VAL 10 Cb -0.16 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2d9i s VAL 10 CO 0.13 -0.06 0.07 -0.22 -3.33 0.00 0.00 175.10 171.70 2d9i s LEU 11 N -0.15 3.78 -0.53 2.54 2.96 0.51 -4.99 118.68 122.80 2d9i s LEU 11 Ca -0.03 -0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 53.01 2d9i s LEU 11 Cb -0.03 -1.88 0.06 0.00 0.50 0.00 0.00 46.19 44.84 2d9i s LEU 11 CO 0.01 -0.18 0.72 -0.62 -1.32 0.00 0.00 176.35 174.97 2d9i s ASP 12 N 1.50 6.24 -0.08 3.68 -1.08 -1.26 -0.31 116.67 125.36 2d9i s ASP 12 Ca 0.03 -0.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.35 2d9i s ASP 12 Cb -0.17 -2.33 0.57 0.00 -1.46 0.00 0.00 42.92 39.53 2d9i s ASP 12 CO 0.02 -1.02 1.44 0.18 0.52 0.00 0.00 175.17 176.31 2d9i n LEU 13 N 6.56 3.80 -4.71 -1.34 4.77 -0.24 -4.93 117.00 120.91 2d9i n LEU 13 Ca -0.05 -1.92 -0.42 0.00 -0.03 0.00 0.00 56.01 53.59 2d9i n LEU 13 Cb 0.45 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2d9i n LEU 13 CO 0.57 0.66 0.98 -2.28 -1.33 0.00 0.00 177.39 176.00 2d9i s HIS 14 N -1.75 3.32 0.00 -1.77 2.46 -1.26 -3.03 115.29 113.26 2d9i s HIS 14 Ca 0.40 1.11 0.00 0.00 0.47 0.00 0.00 55.06 57.04 2d9i s HIS 14 Cb 0.26 -3.56 0.00 0.00 -0.13 0.00 0.00 32.58 29.14 2d9i s HIS 14 CO 0.20 -1.88 0.00 0.41 -2.47 0.00 0.00 174.74 171.00 2d9i n GLY 15 N 3.37 2.85 3.53 1.59 0.00 -1.26 -5.04 105.19 110.24 2d9i n GLY 15 Ca 0.10 -0.48 -0.29 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 0.63 -0.04 0.99 1.43 -1.17 -5.02 118.68 115.51 2d9i s LEU 16 Ca 0.00 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 2d9i s LEU 16 Cb 0.00 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 2d9i s LEU 16 CO 0.00 -4.10 0.30 -2.28 0.23 0.00 0.00 176.35 170.50 2d9i s HIS 17 N -2.71 3.66 0.23 0.29 5.65 -1.26 -4.87 115.29 116.27 2d9i s HIS 17 Ca 0.68 0.78 0.05 0.00 0.25 0.00 0.00 55.06 56.83 2d9i s HIS 17 Cb -0.17 -2.13 0.66 0.00 -1.18 0.00 0.00 32.58 29.76 2d9i s HIS 17 CO 0.59 0.67 1.10 0.28 -0.65 0.00 0.00 174.74 176.73 2d9i n VAL 18 N 1.75 -0.30 0.17 0.89 0.31 -1.26 0.12 118.33 120.02 2d9i n VAL 18 Ca -0.15 1.51 -0.14 0.00 -0.01 0.00 0.00 64.34 65.54 2d9i n VAL 18 Cb 0.53 -2.28 -0.08 0.00 -0.91 0.00 0.00 33.84 31.11 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 -0.34 0.41 4.52 3.32 -1.97 -2.46 116.42 119.91 2d9i h ASP 19 Ca 0.48 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 2d9i h ASP 19 Cb 1.09 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2d9i h ASP 19 CO -0.62 -0.10 -0.47 -0.33 -1.72 0.00 0.00 179.24 176.00 2d9i h GLU 20 N -0.57 -0.87 -0.91 3.56 4.39 0.58 -2.08 114.58 118.68 2d9i h GLU 20 Ca -0.04 0.06 0.25 0.00 0.34 0.00 0.00 59.36 59.97 2d9i h GLU 20 Cb 0.42 0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 29.12 2d9i h GLU 20 CO 0.07 -0.58 0.27 0.00 -1.16 0.00 0.00 179.01 177.60 2d9i h ALA 21 N -0.65 1.38 0.84 3.43 0.00 -1.11 -0.58 119.26 122.57 2d9i h ALA 21 Ca -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2d9i h ALA 21 Cb 0.81 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2d9i h ALA 21 CO -0.10 -0.51 -0.49 -0.07 0.00 0.00 0.00 179.25 178.09 2d9i h LEU 22 N 0.20 -1.22 -0.84 0.00 3.38 -0.91 0.34 115.31 116.27 2d9i h LEU 22 Ca 0.59 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.80 2d9i h LEU 22 Cb 1.23 0.35 -0.11 0.00 0.09 0.00 0.00 40.66 42.21 2d9i h LEU 22 CO -0.68 -0.77 0.35 -0.33 0.09 0.00 0.00 178.44 177.11 2d9i h GLU 23 N -1.23 0.42 -0.37 1.13 5.08 -0.55 0.01 114.58 119.07 2d9i h GLU 23 Ca -0.11 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2d9i h GLU 23 Cb 0.98 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2d9i h GLU 23 CO 0.13 0.28 -0.08 0.45 -1.00 0.00 0.00 179.01 178.79 2d9i h HIS 24 N 0.43 0.80 -0.50 4.33 3.86 -0.89 -1.75 115.15 121.43 2d9i h HIS 24 Ca 0.49 -0.17 0.11 0.00 -1.16 0.00 0.00 60.37 59.64 2d9i h HIS 24 Cb 0.85 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2d9i h HIS 24 CO -0.15 0.85 0.34 1.25 0.86 0.00 0.00 177.93 181.09 2d9i h LEU 25 N 0.51 0.19 0.01 2.43 5.85 0.16 0.25 115.31 124.71 2d9i h LEU 25 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2d9i h LEU 25 Cb 0.59 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2d9i h LEU 25 CO 0.04 0.11 -0.01 0.24 -0.34 0.00 0.00 178.44 178.48 2d9i h MET 26 N 0.21 -0.02 -0.78 1.25 2.86 -1.06 -2.20 114.93 115.19 2d9i h MET 26 Ca 0.23 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 2d9i h MET 26 Cb 0.64 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 2d9i h MET 26 CO -0.04 0.64 0.47 0.00 1.06 0.00 0.00 176.91 179.04 2d9i h ARG 27 N -0.98 0.84 -0.09 1.72 2.47 -0.96 -1.58 114.38 115.79 2d9i h ARG 27 Ca -0.00 -0.05 -0.14 0.00 -1.26 0.00 0.00 59.98 58.53 2d9i h ARG 27 Cb 0.67 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 2d9i h ARG 27 CO 0.00 0.55 -0.54 -0.39 0.56 0.00 0.00 179.97 180.15 2d9i h VAL 28 N 0.86 1.36 -0.48 2.04 -1.51 -0.64 0.96 116.25 118.84 2d9i h VAL 28 Ca 0.35 -1.84 -0.00 0.00 -1.23 0.00 0.00 66.70 63.98 2d9i h VAL 28 Cb 0.18 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 2d9i h VAL 28 CO -0.18 0.55 0.29 -0.07 -1.23 0.00 0.00 177.57 176.93 2d9i h LEU 29 N 0.21 0.57 0.02 4.19 3.38 -0.63 0.23 115.31 123.28 2d9i h LEU 29 Ca 0.00 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 2d9i h LEU 29 Cb 1.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2d9i h LEU 29 CO 0.09 0.45 -1.55 -1.84 0.09 0.00 0.00 178.44 175.67 2d9i n GLU 30 N -4.43 0.61 0.26 1.13 0.28 -0.95 -3.85 120.64 113.69 2d9i n GLU 30 Ca 0.04 0.48 -0.16 0.00 -0.16 0.00 0.00 57.16 57.36 2d9i n GLU 30 Cb 0.08 -1.71 -0.08 0.00 1.43 0.00 0.00 31.44 31.16 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2d9i h LYS 31 N -0.78 -0.65 -0.49 3.44 1.63 -0.78 0.10 116.57 119.05 2d9i h LYS 31 Ca -0.40 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.53 2d9i h LYS 31 Cb 1.49 0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 33.16 2d9i h LYS 31 CO -0.17 -0.43 -0.32 0.87 -3.45 0.00 0.00 179.45 175.94 2d9i h LYS 32 N -0.67 -0.20 0.00 1.90 1.79 -0.75 0.35 116.57 118.99 2d9i h LYS 32 Ca -0.05 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2d9i h LYS 32 Cb 0.55 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2d9i h LYS 32 CO 0.06 -0.13 -0.17 0.00 -1.08 0.00 0.00 179.45 178.13 2d9i h THR 33 N -0.20 0.73 -0.82 -0.16 1.03 -1.63 -2.82 112.91 109.02 2d9i h THR 33 Ca 0.20 -0.68 0.14 0.00 -0.01 0.00 0.00 66.41 66.07 2d9i h THR 33 Cb 0.54 1.41 -0.09 0.00 -1.07 0.00 0.00 68.15 68.94 2d9i h THR 33 CO -0.60 0.16 0.41 -0.08 -0.01 0.00 0.00 175.52 175.41 2d9i h GLU 34 N 0.00 0.59 0.04 0.00 4.22 0.24 0.48 114.58 120.14 2d9i h GLU 34 Ca -0.00 -0.04 -0.22 0.00 0.08 0.00 0.00 59.36 59.18 2d9i h GLU 34 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2d9i h GLU 34 CO 0.02 0.39 -1.02 0.93 -2.18 0.00 0.00 179.01 177.15 2d9i h GLU 35 N 0.61 0.12 0.00 1.92 5.08 -1.36 -2.56 114.58 118.38 2d9i h GLU 35 Ca 0.44 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2d9i h GLU 35 Cb 0.61 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2d9i h GLU 35 CO -0.35 1.03 -0.25 0.35 -1.00 0.00 0.00 179.01 178.79 2d9i h PHE 36 N 0.05 0.00 0.17 4.33 3.57 -1.06 1.46 116.94 125.46 2d9i h PHE 36 Ca -0.05 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.10 2d9i h PHE 36 Cb 1.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.47 2d9i h PHE 36 CO 0.02 0.25 -1.75 0.87 -2.23 0.00 0.00 178.31 175.47 2d9i h LYS 37 N 0.00 0.35 0.00 1.11 1.57 -0.98 -3.15 116.57 115.47 2d9i h LYS 37 Ca -0.00 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.15 2d9i h LYS 37 Cb 0.46 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2d9i h LYS 37 CO 0.03 1.26 -0.25 0.37 -0.57 0.00 0.00 179.45 180.29 2d9i h GLN 38 N 0.10 0.00 0.00 3.15 4.15 -1.28 -3.44 115.11 117.79 2d9i h GLN 38 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2d9i h GLN 38 Cb 2.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.77 2d9i h GLN 38 CO 0.16 0.29 -0.09 -0.91 -1.93 0.00 0.00 178.83 176.35 2d9i h ASN 39 N -1.00 0.00 -1.52 -0.69 4.21 0.14 -3.51 115.58 113.22 2d9i h ASN 39 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 2d9i h ASN 39 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2d9i h ASN 39 CO -0.02 0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 2d9i n GLY 40 N 1.78 4.57 0.00 2.83 0.00 0.22 -4.94 105.19 109.65 2d9i n GLY 40 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.74 1.28 3.83 -0.02 0.00 -1.25 -4.48 105.19 102.82 2d9i n GLY 41 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2d9i n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9i s LYS 42 N 1.16 4.08 0.00 1.61 0.00 -1.26 -4.95 119.74 120.38 2d9i s LYS 42 Ca 0.00 0.62 0.11 0.00 0.00 0.00 0.00 55.97 56.71 2d9i s LYS 42 Cb 0.00 -2.97 0.68 0.00 0.00 0.00 0.00 37.83 35.54 2d9i s LYS 42 CO 0.00 0.49 1.12 -0.35 0.00 0.00 0.00 175.35 176.60 2d9i n PRO 43 N 0.94 0.49 -4.66 1.78 -0.04 -1.26 -4.74 135.00 127.51 2d9i n PRO 43 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 2d9i n PRO 43 Cb 0.51 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.82 -0.10 0.54 1.13 -1.26 0.13 117.35 117.61 2d9i s TYR 44 Ca 0.17 -1.11 -0.08 0.00 -1.41 0.00 0.00 57.07 54.64 2d9i s TYR 44 Cb 0.08 -1.41 0.03 0.00 -1.10 0.00 0.00 41.96 39.55 2d9i s TYR 44 CO 0.13 -0.01 0.25 -1.17 -2.51 0.00 0.00 175.55 172.25 2d9i s LEU 45 N -3.77 0.97 -0.22 -3.49 2.96 -0.82 -4.72 118.68 109.59 2d9i s LEU 45 Ca 0.13 0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 2d9i s LEU 45 Cb 0.02 0.86 -0.04 0.00 0.50 0.00 0.00 46.19 47.53 2d9i s LEU 45 CO 0.08 -0.10 0.39 -0.44 -1.32 0.00 0.00 176.35 174.96 2d9i s SER 46 N 0.24 6.38 -0.21 3.68 0.01 -1.22 -1.91 113.70 120.67 2d9i s SER 46 Ca -0.01 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 2d9i s SER 46 Cb -0.03 -2.22 0.06 0.00 0.21 0.00 0.00 66.02 64.04 2d9i s SER 46 CO -0.01 -0.11 -0.01 -0.69 0.41 0.00 0.00 173.24 172.83 2d9i s VAL 47 N 1.54 1.01 -0.07 3.43 1.01 0.21 -0.36 120.40 127.16 2d9i s VAL 47 Ca 0.18 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2d9i s VAL 47 Cb -0.15 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2d9i s VAL 47 CO 0.08 -0.13 0.36 -0.63 0.00 0.00 0.00 175.10 174.78 2d9i s ILE 48 N 1.64 5.18 -0.09 2.22 1.01 0.58 -0.79 121.20 130.94 2d9i s ILE 48 Ca -0.03 0.71 0.07 0.00 0.00 0.00 0.00 60.65 61.40 2d9i s ILE 48 Cb -0.18 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 2d9i s ILE 48 CO -0.07 0.49 0.01 0.35 0.00 0.00 0.00 174.94 175.72 2d9i n THR 49 N 2.59 0.62 0.00 2.92 -2.24 -1.26 -1.08 114.28 115.83 2d9i n THR 49 Ca -0.13 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2d9i n THR 49 Cb 0.52 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 2.54 3.54 3.92 3.38 0.00 -1.26 -4.15 105.19 113.16 2d9i n GLY 50 Ca -0.16 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -5.06 3.56 -0.31 1.61 3.52 -1.26 -4.89 118.95 116.12 2d9i s ARG 51 Ca 0.00 -0.13 0.17 0.00 -0.13 0.00 0.00 55.73 55.64 2d9i s ARG 51 Cb 0.00 -2.64 0.45 0.00 -1.56 0.00 0.00 34.95 31.20 2d9i s ARG 51 CO 0.00 0.16 1.35 0.41 -0.81 0.00 0.00 175.30 176.42 2d9i n GLY 52 N -1.36 1.92 0.07 8.12 0.00 -1.26 -4.90 105.19 107.78 2d9i n GLY 52 Ca -0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 2d9i n GLY 52 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2d9i h ASN 53 N 1.72 -0.04 -0.35 1.61 -0.00 -1.95 -3.36 115.58 113.21 2d9i h ASN 53 Ca -0.31 -0.42 0.06 0.00 -0.00 0.00 0.00 56.30 55.63 2d9i h ASN 53 Cb 1.29 0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 39.56 2d9i h ASN 53 CO -0.02 0.65 0.02 1.12 -0.00 0.00 0.00 177.43 179.20 2d9i h HIS 54 N -0.99 0.03 -3.45 0.67 2.07 -2.02 -3.40 115.15 108.06 2d9i h HIS 54 Ca -0.00 0.02 -0.54 0.00 -2.85 0.00 0.00 60.37 57.00 2d9i h HIS 54 Cb 0.45 0.04 -0.04 0.00 2.57 0.00 0.00 27.41 30.44 2d9i h HIS 54 CO 0.12 -0.04 0.16 -1.54 -3.07 0.00 0.00 177.93 173.55 2d9i s SER 55 N -5.27 7.27 -0.05 3.10 1.04 -1.26 -4.98 113.70 113.54 2d9i s SER 55 Ca -0.13 1.51 -0.16 0.00 0.48 0.00 0.00 55.95 57.64 2d9i s SER 55 Cb 0.13 -2.47 -0.31 0.00 0.10 0.00 0.00 66.02 63.47 2d9i s SER 55 CO 0.71 0.10 0.74 1.56 0.98 0.00 0.00 173.24 177.32 2d9i h GLN 56 N 5.13 0.34 -4.72 4.02 1.08 -1.81 -3.46 115.11 115.69 2d9i h GLN 56 Ca -0.45 -0.59 -0.54 0.00 -1.45 0.00 0.00 58.65 55.62 2d9i h GLN 56 Cb 1.21 0.22 0.08 0.00 -0.05 0.00 0.00 27.48 28.94 2d9i h GLN 56 CO 0.69 1.28 -0.38 0.41 -0.95 0.00 0.00 178.83 179.88 2d9i n GLY 57 N 1.75 -1.28 3.36 3.46 0.00 -1.26 -4.65 105.19 106.57 2d9i n GLY 57 Ca -0.21 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 1.54 1.73 3.91 -0.02 0.00 -1.26 -4.88 105.19 106.20 2d9i n GLY 58 Ca 0.14 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 8.15 1.87 -1.14 1.61 -7.23 -1.26 -4.74 120.40 117.66 2d9i s VAL 59 Ca 0.63 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2d9i s VAL 59 Cb 0.07 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2d9i s VAL 59 CO 0.13 0.00 0.96 0.00 -0.31 0.00 0.00 175.10 175.88 2d9i n ALA 60 N -1.77 -1.73 0.98 1.32 0.00 -1.26 -4.87 120.51 113.17 2d9i n ALA 60 Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2d9i n ALA 60 Cb 0.64 -2.86 0.04 0.00 0.00 0.00 0.00 19.45 17.27 2d9i n ALA 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2d9i n ARG 61 N -4.05 1.38 -0.07 0.00 0.63 -1.26 -3.89 116.66 109.40 2d9i n ARG 61 Ca -0.21 -0.34 -0.11 0.00 -0.92 0.00 0.00 57.85 56.27 2d9i n ARG 61 Cb 0.64 -1.48 -0.08 0.00 0.45 0.00 0.00 32.46 31.98 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2d9i h ILE 62 N 0.45 0.98 -0.81 5.15 2.04 -1.89 -3.34 117.51 120.08 2d9i h ILE 62 Ca 0.00 -1.82 0.18 0.00 1.00 0.00 0.00 64.86 64.22 2d9i h ILE 62 Cb 0.55 1.94 -0.15 0.00 -0.74 0.00 0.00 36.82 38.42 2d9i h ILE 62 CO 0.04 0.33 -0.08 0.50 0.00 0.00 0.00 178.15 178.95 2d9i h LYS 63 N -1.00 0.05 -0.28 2.37 3.64 -1.86 -1.32 116.57 118.16 2d9i h LYS 63 Ca -0.06 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2d9i h LYS 63 Cb 0.73 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 2d9i h LYS 63 CO -0.04 0.03 -0.47 -1.35 -2.27 0.00 0.00 179.45 175.36 2d9i h PRO 64 N 0.05 -0.42 0.38 1.90 0.11 -1.81 -1.39 132.00 130.82 2d9i h PRO 64 Ca 0.43 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 2d9i h PRO 64 Cb 0.75 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2d9i h PRO 64 CO -0.77 -0.28 -0.39 0.00 -0.21 0.00 0.00 178.00 176.35 2d9i h ALA 65 N 0.14 -0.84 -0.85 -0.75 0.00 -1.39 -2.69 119.26 112.88 2d9i h ALA 65 Ca 0.09 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2d9i h ALA 65 Cb 0.62 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2d9i h ALA 65 CO -0.50 -1.01 -0.38 0.28 0.00 0.00 0.00 179.25 177.64 2d9i h VAL 66 N -0.79 0.06 -0.72 0.00 2.07 -1.06 0.37 116.25 116.17 2d9i h VAL 66 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 2d9i h VAL 66 Cb 0.71 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.44 2d9i h VAL 66 CO -0.07 0.00 0.21 0.40 0.02 0.00 0.00 177.57 178.13 2d9i h ILE 67 N -0.06 0.58 -0.39 4.57 2.04 -1.02 0.12 117.51 123.35 2d9i h ILE 67 Ca 0.30 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 2d9i h ILE 67 Cb 0.58 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2d9i h ILE 67 CO -0.88 0.06 0.23 0.50 0.00 0.00 0.00 178.15 178.06 2d9i h LYS 68 N 0.32 0.53 -0.61 2.37 3.64 -0.02 -1.45 116.57 121.35 2d9i h LYS 68 Ca 0.40 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2d9i h LYS 68 Cb 0.65 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2d9i h LYS 68 CO -0.46 0.41 0.31 -0.92 -2.27 0.00 0.00 179.45 176.52 2d9i h TYR 69 N 0.51 0.85 0.96 1.91 5.03 0.30 -2.32 116.97 124.20 2d9i h TYR 69 Ca 0.14 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 2d9i h TYR 69 Cb 0.02 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.04 2d9i h TYR 69 CO -0.03 0.63 -0.47 -0.07 -1.32 0.00 0.00 178.16 176.90 2d9i h LEU 70 N 0.83 -1.13 -0.74 2.82 3.38 -0.56 0.23 115.31 120.13 2d9i h LEU 70 Ca 0.21 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.39 2d9i h LEU 70 Cb 0.08 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 2d9i h LEU 70 CO -0.03 -0.79 -0.03 0.40 0.09 0.00 0.00 178.44 178.08 2d9i h ILE 71 N -1.30 0.33 -0.37 1.22 2.04 -1.25 0.58 117.51 118.76 2d9i h ILE 71 Ca -0.13 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 2d9i h ILE 71 Cb 1.00 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2d9i h ILE 71 CO 0.21 0.02 0.06 0.77 0.00 0.00 0.00 178.15 179.21 2d9i h SER 72 N 0.08 0.59 0.00 1.72 4.64 -1.28 -2.10 113.55 117.20 2d9i h SER 72 Ca 0.40 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2d9i h SER 72 Cb 0.69 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2d9i h SER 72 CO -0.67 0.69 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 2d9i n HIS 73 N -4.56 0.00 -3.61 4.77 8.25 0.78 -4.87 115.22 115.99 2d9i n HIS 73 Ca -0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 2d9i n HIS 73 Cb 0.22 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.81 -4.62 -4.67 0.41 2.88 0.17 -4.96 113.62 102.02 2d9i n SER 74 Ca 0.13 -0.62 -0.38 0.00 -1.33 0.00 0.00 58.87 56.67 2d9i n SER 74 Cb 0.06 -4.81 -0.08 0.00 -0.75 0.00 0.00 64.21 58.63 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 -3.36 3.37 0.17 0.66 0.08 0.44 -4.99 117.98 114.35 2d9i s PHE 75 Ca 0.40 0.58 -0.29 0.00 0.12 0.00 0.00 56.93 57.75 2d9i s PHE 75 Cb -0.18 -2.50 -0.08 0.00 -0.57 0.00 0.00 43.02 39.69 2d9i s PHE 75 CO 0.75 0.01 0.90 0.50 -0.10 0.00 0.00 175.22 177.28 2d9i s ARG 76 N 1.25 4.73 0.15 0.44 3.52 -1.26 -4.48 118.95 123.29 2d9i s ARG 76 Ca 0.18 1.38 -0.24 0.00 -0.13 0.00 0.00 55.73 56.92 2d9i s ARG 76 Cb -0.15 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 30.00 2d9i s ARG 76 CO 0.08 0.42 0.65 -0.59 -0.81 0.00 0.00 175.30 175.05 2d9i s PHE 77 N -0.73 -0.48 -0.11 5.12 -0.71 -1.26 -2.08 117.98 117.73 2d9i s PHE 77 Ca 0.41 0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 56.52 2d9i s PHE 77 Cb -0.24 0.57 0.05 0.00 -1.21 0.00 0.00 43.02 42.19 2d9i s PHE 77 CO 0.29 -0.84 0.23 -1.12 -1.34 0.00 0.00 175.22 172.44 2d9i s SER 78 N -2.73 0.10 -0.37 1.98 0.01 -0.63 -5.00 113.70 107.05 2d9i s SER 78 Ca 0.03 0.50 -0.28 0.00 1.31 0.00 0.00 55.95 57.50 2d9i s SER 78 Cb -0.01 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 2d9i s SER 78 CO -0.11 -0.20 1.65 -0.70 0.41 0.00 0.00 173.24 174.29 2d9i s GLU 79 N 1.79 3.41 -0.14 12.44 2.56 -1.26 -3.55 118.70 133.94 2d9i s GLU 79 Ca -0.04 1.20 0.18 0.00 0.00 0.00 0.00 54.97 56.30 2d9i s GLU 79 Cb -0.11 -4.14 -0.25 0.00 2.00 0.00 0.00 34.13 31.63 2d9i s GLU 79 CO -0.08 -1.77 0.24 0.44 -0.56 0.00 0.00 175.26 173.53 2d9i n ILE 80 N 7.27 1.22 -4.14 -3.70 -5.35 -1.26 -4.98 119.36 108.41 2d9i n ILE 80 Ca 0.20 -0.79 -0.14 0.00 -0.27 0.00 0.00 62.75 61.74 2d9i n ILE 80 Cb 0.47 -0.49 -0.11 0.00 -1.74 0.00 0.00 39.64 37.78 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 -2.67 0.76 0.00 6.28 -0.14 -1.26 -5.02 119.74 117.69 2d9i s LYS 81 Ca -0.09 -1.04 0.09 0.00 -1.36 0.00 0.00 55.97 53.58 2d9i s LYS 81 Cb 0.07 -0.48 0.56 0.00 -1.68 0.00 0.00 37.83 36.30 2d9i s LYS 81 CO 0.84 0.08 1.00 -0.35 -0.76 0.00 0.00 175.35 176.16 2d9i n PRO 82 N 0.85 0.49 -1.09 -1.68 -0.04 -1.26 -2.72 135.00 129.55 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 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.76 3.30 0.55 0.00 -1.26 -4.68 105.19 103.85 2d9i n GLY 83 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.70 1.97 -0.19 0.00 1.43 0.03 -4.15 118.68 115.07 2d9i s LEU 85 Ca 0.02 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2d9i s LEU 85 Cb 0.02 -0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.05 2d9i s LEU 85 CO -0.11 0.04 -0.15 -0.75 0.23 0.00 0.00 176.35 175.61 2d9i s LYS 86 N -0.04 3.13 -0.29 1.70 2.20 -1.23 -0.62 119.74 124.59 2d9i s LYS 86 Ca 0.01 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2d9i s LYS 86 Cb -0.02 -2.70 0.06 0.00 -1.51 0.00 0.00 37.83 33.66 2d9i s LYS 86 CO -0.00 -0.17 -0.04 0.08 -0.36 0.00 0.00 175.35 174.86 2d9i s VAL 87 N 1.26 2.60 -0.14 4.02 1.01 -0.81 -1.60 120.40 126.74 2d9i s VAL 87 Ca 0.03 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 2d9i s VAL 87 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2d9i s VAL 87 CO -0.08 -0.12 1.84 -0.04 0.00 0.00 0.00 175.10 176.69 2d9i s MET 88 N 1.16 3.77 0.58 2.72 1.00 -0.89 -1.94 119.30 125.70 2d9i s MET 88 Ca -0.05 2.02 -0.19 0.00 0.00 0.00 0.00 55.69 57.47 2d9i s MET 88 Cb -0.20 -4.14 -0.04 0.00 0.00 0.00 0.00 34.83 30.45 2d9i s MET 88 CO -0.03 -1.35 1.16 -0.51 0.00 0.00 0.00 175.02 174.28 2d9i s LEU 89 N 5.60 3.67 -0.00 -0.03 1.43 0.34 -4.61 118.68 125.08 2d9i s LEU 89 Ca 0.82 2.25 0.02 0.00 -1.03 0.00 0.00 54.13 56.18 2d9i s LEU 89 Cb -0.32 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.31 2d9i s LEU 89 CO 0.34 -1.43 -0.05 -1.59 0.23 0.00 0.00 176.35 173.84 2d9i s LYS 90 N -3.40 0.41 0.12 1.70 0.00 -1.26 -4.83 119.74 112.48 2d9i s LYS 90 Ca 0.74 -0.20 -0.21 0.00 0.00 0.00 0.00 55.97 56.29 2d9i s LYS 90 Cb -0.26 -0.38 -0.06 0.00 0.00 0.00 0.00 37.83 37.13 2d9i s LYS 90 CO 0.31 0.10 1.70 1.03 0.00 0.00 0.00 175.35 178.50 2d9i h SER 91 N 5.95 -0.21 0.00 0.03 0.87 -2.00 -3.48 113.55 114.72 2d9i h SER 91 Ca -0.28 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2d9i h SER 91 Cb 1.19 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2d9i h SER 91 CO 0.50 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 2d9i n GLY 92 N -1.20 2.58 3.64 5.77 0.00 -1.26 -5.10 105.19 109.62 2d9i n GLY 92 Ca -0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.25 -1.47 1.61 0.04 -1.26 -4.05 135.00 129.63 2d9i s PRO 93 Ca 0.00 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.21 2d9i s PRO 93 Cb 0.00 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.92 2d9i s PRO 93 CO 0.00 -3.13 0.97 0.43 0.04 0.00 0.00 177.00 175.30 2d9i n SER 94 N -4.42 -4.39 -3.91 6.66 7.64 -1.26 -4.97 113.62 108.98 2d9i n SER 94 Ca 0.08 -0.75 -0.29 0.00 1.01 0.00 0.00 58.87 58.92 2d9i n SER 94 Cb 0.58 -4.09 -0.16 0.00 -1.01 0.00 0.00 64.21 59.53 2d9i n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9i s SER 95 N -3.50 3.22 0.00 6.43 0.15 -1.26 -5.16 113.70 113.58 2d9i s SER 95 Ca 0.54 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2d9i s SER 95 Cb -0.26 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2d9i s SER 95 CO 0.81 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.66