#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i h SER 2 N 0.00 0.59 -0.00 1.61 4.64 -2.09 -3.35 113.55 114.95 2d9i h SER 2 Ca 0.00 -0.80 -0.16 0.00 -0.47 0.00 0.00 61.79 60.36 2d9i h SER 2 Cb 0.00 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2d9i h SER 2 CO 0.00 1.32 -0.63 0.28 -0.87 0.00 0.00 176.83 176.93 2d9i h SER 3 N -0.06 0.56 -2.30 4.97 0.02 -2.13 -3.47 113.55 111.13 2d9i h SER 3 Ca -0.10 -0.76 0.16 0.00 -0.84 0.00 0.00 61.79 60.25 2d9i h SER 3 Cb 1.47 -0.17 -0.31 0.00 0.14 0.00 0.00 62.40 63.53 2d9i h SER 3 CO 0.15 1.24 0.62 -0.83 -1.14 0.00 0.00 176.83 176.87 2d9i s GLY 4 N -4.10 0.34 0.29 -3.77 0.00 -1.26 -5.18 107.32 93.65 2d9i s GLY 4 Ca -0.13 3.50 0.10 0.00 0.00 0.00 0.00 44.72 48.20 2d9i s GLY 4 CO 0.83 2.56 -0.09 -0.45 0.00 0.00 0.00 173.10 175.94 2d9i s SER 5 N 0.97 3.99 -0.24 1.64 0.15 -1.26 -4.77 113.70 114.18 2d9i s SER 5 Ca -0.06 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.67 2d9i s SER 5 Cb -0.03 -0.50 0.06 0.00 -1.71 0.00 0.00 66.02 63.84 2d9i s SER 5 CO -0.12 -0.05 -0.05 -0.44 1.20 0.00 0.00 173.24 173.78 2d9i s SER 6 N -3.61 3.94 -0.28 5.45 0.01 -1.26 -5.09 113.70 112.85 2d9i s SER 6 Ca 0.32 -1.24 -0.22 0.00 1.31 0.00 0.00 55.95 56.12 2d9i s SER 6 Cb -0.04 -1.22 0.12 0.00 0.21 0.00 0.00 66.02 65.10 2d9i s SER 6 CO 0.17 -0.24 0.97 -0.83 0.41 0.00 0.00 173.24 173.73 2d9i s GLY 7 N 1.36 -0.18 -0.22 3.44 0.00 -1.26 -5.15 107.32 105.32 2d9i s GLY 7 Ca -0.05 2.72 -0.04 0.00 0.00 0.00 0.00 44.72 47.35 2d9i s GLY 7 CO -0.07 2.04 -0.03 1.20 0.00 0.00 0.00 173.10 176.25 2d9i s GLN 8 N 0.59 3.42 0.56 2.90 1.11 -1.26 -4.97 119.66 122.00 2d9i s GLN 8 Ca -0.01 -0.61 0.31 0.00 0.01 0.00 0.00 55.36 55.07 2d9i s GLN 8 Cb -0.05 -3.04 1.64 0.00 -1.01 0.00 0.00 33.01 30.56 2d9i s GLN 8 CO -0.09 -0.18 2.13 -0.91 0.01 0.00 0.00 175.29 176.25 2d9i h ASN 9 N 8.07 0.00 -3.43 5.90 4.21 -2.00 -3.41 115.58 124.93 2d9i h ASN 9 Ca -0.41 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.51 2d9i h ASN 9 Cb 1.16 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.26 2d9i h ASN 9 CO 0.60 0.07 -0.14 0.54 -1.29 0.00 0.00 177.43 177.21 2d9i s VAL 10 N -4.16 5.17 -0.28 2.81 0.11 -1.26 -4.10 120.40 118.70 2d9i s VAL 10 Ca -0.03 0.83 -0.08 0.00 -2.93 0.00 0.00 61.98 59.78 2d9i s VAL 10 Cb 0.13 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 2d9i s VAL 10 CO 0.55 0.25 0.10 -0.22 -3.33 0.00 0.00 175.10 172.44 2d9i s LEU 11 N 1.22 3.71 -0.47 2.54 2.96 -0.55 -5.01 118.68 123.08 2d9i s LEU 11 Ca 0.22 -0.39 -0.27 0.00 -0.22 0.00 0.00 54.13 53.47 2d9i s LEU 11 Cb -0.15 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.63 2d9i s LEU 11 CO 0.09 -0.11 1.04 1.51 -1.32 0.00 0.00 176.35 177.56 2d9i s ASP 12 N 1.59 6.58 -0.02 3.68 1.47 -1.26 -3.02 116.67 125.69 2d9i s ASP 12 Ca 0.05 0.32 0.11 0.00 1.18 0.00 0.00 52.55 54.21 2d9i s ASP 12 Cb -0.16 -2.51 -0.23 0.00 -0.34 0.00 0.00 42.92 39.69 2d9i s ASP 12 CO 0.04 -1.16 0.77 -0.07 0.68 0.00 0.00 175.17 175.43 2d9i h LEU 13 N 10.92 0.02 -9.34 2.11 3.38 -0.95 -3.47 115.31 117.98 2d9i h LEU 13 Ca -0.23 -0.04 -0.61 0.00 0.09 0.00 0.00 57.88 57.09 2d9i h LEU 13 Cb 1.07 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.84 2d9i h LEU 13 CO 1.08 1.03 1.00 0.00 0.09 0.00 0.00 178.44 181.64 2d9i n HIS 14 N -3.12 2.29 0.00 1.13 1.44 -0.70 -2.10 115.22 114.16 2d9i n HIS 14 Ca -0.14 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2d9i n HIS 14 Cb 1.03 -2.62 0.00 0.00 0.12 0.00 0.00 29.99 28.52 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 4.09 2.75 3.94 -1.39 0.00 -1.26 -5.03 105.19 108.29 2d9i n GLY 15 Ca 0.21 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 2.80 0.08 0.99 1.43 -0.89 -5.06 118.68 118.03 2d9i s LEU 16 Ca 0.00 0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 2d9i s LEU 16 Cb 0.00 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 2d9i s LEU 16 CO 0.00 -1.94 0.63 -2.28 0.23 0.00 0.00 176.35 172.99 2d9i s HIS 17 N -3.40 3.81 0.17 0.29 5.65 -1.26 -4.79 115.29 115.76 2d9i s HIS 17 Ca 0.65 1.36 -0.11 0.00 0.25 0.00 0.00 55.06 57.21 2d9i s HIS 17 Cb -0.08 -2.59 0.20 0.00 -1.18 0.00 0.00 32.58 28.93 2d9i s HIS 17 CO 0.47 0.53 1.10 0.28 -0.65 0.00 0.00 174.74 176.46 2d9i n VAL 18 N 1.87 -0.36 -0.21 0.89 0.31 -1.26 0.20 118.33 119.78 2d9i n VAL 18 Ca -0.08 1.65 -0.00 0.00 -0.01 0.00 0.00 64.34 65.89 2d9i n VAL 18 Cb 0.50 -2.19 0.11 0.00 -0.91 0.00 0.00 33.84 31.35 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 0.52 4.52 1.82 -1.96 -1.24 116.42 120.41 2d9i h ASP 19 Ca 0.26 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.94 2d9i h ASP 19 Cb 0.44 0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2d9i h ASP 19 CO -0.71 0.19 -0.25 -0.33 -1.61 0.00 0.00 179.24 176.54 2d9i h GLU 20 N 0.49 -0.67 -0.90 0.28 3.07 0.20 -3.03 114.58 114.02 2d9i h GLU 20 Ca 0.31 0.05 0.21 0.00 -0.50 0.00 0.00 59.36 59.43 2d9i h GLU 20 Cb 0.34 0.15 -0.17 0.00 -0.84 0.00 0.00 28.75 28.23 2d9i h GLU 20 CO -0.27 -0.39 -0.07 0.00 -1.40 0.00 0.00 179.01 176.88 2d9i h ALA 21 N -0.96 0.86 0.18 3.43 0.00 -0.33 -1.38 119.26 121.07 2d9i h ALA 21 Ca -0.07 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2d9i h ALA 21 Cb 0.59 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2d9i h ALA 21 CO 0.12 -0.46 -0.25 -0.07 0.00 0.00 0.00 179.25 178.58 2d9i h LEU 22 N 0.03 -0.71 -0.99 0.00 3.38 -1.25 0.30 115.31 116.07 2d9i h LEU 22 Ca 0.49 0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.88 2d9i h LEU 22 Cb 0.89 0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 2d9i h LEU 22 CO -0.86 -0.31 0.47 -0.33 0.09 0.00 0.00 178.44 177.50 2d9i h GLU 23 N -0.45 0.12 -0.30 1.13 4.39 -1.15 1.34 114.58 119.66 2d9i h GLU 23 Ca -0.02 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2d9i h GLU 23 Cb 0.41 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2d9i h GLU 23 CO -0.07 0.08 -0.30 0.45 -1.16 0.00 0.00 179.01 178.02 2d9i h HIS 24 N 0.13 0.72 -0.40 4.33 3.86 -0.66 -1.58 115.15 121.54 2d9i h HIS 24 Ca 0.76 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.73 2d9i h HIS 24 Cb 1.85 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 30.13 2d9i h HIS 24 CO -0.08 0.85 0.00 1.25 0.86 0.00 0.00 177.93 180.81 2d9i h LEU 25 N 0.54 0.60 0.00 2.43 5.85 0.38 0.74 115.31 125.85 2d9i h LEU 25 Ca 0.07 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 2d9i h LEU 25 Cb 0.78 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.66 2d9i h LEU 25 CO 0.06 0.67 -0.59 0.24 -0.34 0.00 0.00 178.44 178.49 2d9i h MET 26 N 0.60 0.39 -0.65 1.25 2.86 -1.07 -1.36 114.93 116.96 2d9i h MET 26 Ca 0.12 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 2d9i h MET 26 Cb 0.38 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2d9i h MET 26 CO 0.01 1.10 0.16 0.00 1.06 0.00 0.00 176.91 179.24 2d9i h ARG 27 N -0.13 1.04 0.00 1.72 3.08 -1.16 -2.68 114.38 116.25 2d9i h ARG 27 Ca -0.07 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 59.58 2d9i h ARG 27 Cb 1.30 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2d9i h ARG 27 CO 0.12 0.94 -0.70 -0.39 -1.07 0.00 0.00 179.97 178.87 2d9i h VAL 28 N 0.96 1.48 -0.23 2.04 -1.51 -0.93 0.15 116.25 118.21 2d9i h VAL 28 Ca 0.20 -2.40 -0.05 0.00 -1.23 0.00 0.00 66.70 63.22 2d9i h VAL 28 Cb 0.36 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 2d9i h VAL 28 CO 0.00 0.68 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.86 2d9i h LEU 29 N 0.00 0.35 0.03 4.19 3.38 -0.94 0.45 115.31 122.76 2d9i h LEU 29 Ca -0.01 -0.07 -0.36 0.00 0.09 0.00 0.00 57.88 57.53 2d9i h LEU 29 Cb 1.24 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 2d9i h LEU 29 CO 0.09 0.49 -2.19 -0.62 0.09 0.00 0.00 178.44 176.30 2d9i n GLU 30 N -4.26 0.68 -0.05 1.13 1.02 -1.04 -3.56 120.64 114.57 2d9i n GLU 30 Ca 0.00 0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 57.13 2d9i n GLU 30 Cb 0.28 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.01 0.79 0.45 3.49 3.64 -0.65 -2.89 116.57 121.42 2d9i h LYS 31 Ca -0.48 -0.58 -0.02 0.00 -1.27 0.00 0.00 60.65 58.30 2d9i h LYS 31 Cb 2.06 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 2d9i h LYS 31 CO 0.02 1.20 -0.22 0.87 -2.27 0.00 0.00 179.45 179.05 2d9i h LYS 32 N 0.54 -0.58 -0.88 1.90 1.79 -0.30 -3.04 116.57 115.99 2d9i h LYS 32 Ca -0.02 0.04 0.26 0.00 -2.18 0.00 0.00 60.65 58.74 2d9i h LYS 32 Cb 1.26 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 32.01 2d9i h LYS 32 CO 0.14 -0.28 0.67 0.00 -1.08 0.00 0.00 179.45 178.90 2d9i h THR 33 N -0.99 0.47 0.59 -0.16 1.03 -1.67 -0.75 112.91 111.43 2d9i h THR 33 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.31 2d9i h THR 33 Cb 0.57 0.52 0.01 0.00 -1.07 0.00 0.00 68.15 68.18 2d9i h THR 33 CO 0.10 0.00 -0.29 -0.08 -0.01 0.00 0.00 175.52 175.25 2d9i h GLU 34 N 0.00 -0.77 0.00 0.00 4.57 -1.39 -2.45 114.58 114.55 2d9i h GLU 34 Ca 0.42 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.62 2d9i h GLU 34 Cb 1.76 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 30.52 2d9i h GLU 34 CO -0.00 -0.50 -0.16 1.05 -1.18 0.00 0.00 179.01 178.21 2d9i h GLU 35 N -0.84 0.00 -0.38 1.92 4.11 -1.21 -1.24 114.58 116.95 2d9i h GLU 35 Ca -0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 2d9i h GLU 35 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2d9i h GLU 35 CO 0.13 0.16 -0.02 0.35 0.07 0.00 0.00 179.01 179.71 2d9i h PHE 36 N 0.00 0.63 0.04 2.06 3.57 -0.87 0.35 116.94 122.73 2d9i h PHE 36 Ca -0.00 -0.07 -0.34 0.00 3.53 0.00 0.00 57.97 61.09 2d9i h PHE 36 Cb 0.61 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2d9i h PHE 36 CO 0.00 0.62 -1.96 1.63 -2.23 0.00 0.00 178.31 176.36 2d9i n LYS 37 N -4.25 0.69 0.10 1.11 5.02 -0.95 -2.96 118.16 116.92 2d9i n LYS 37 Ca 0.02 0.23 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 2d9i n LYS 37 Cb 0.27 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 0.03 -0.32 0.00 1.97 4.20 -1.16 -3.42 115.11 116.40 2d9i h GLN 38 Ca -0.39 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2d9i h GLN 38 Cb 2.04 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.89 2d9i h GLN 38 CO 0.06 -0.01 -0.09 -0.97 -0.67 0.00 0.00 178.83 177.15 2d9i h ASN 39 N -0.98 0.00 0.00 1.46 -0.00 -0.57 -3.51 115.58 111.99 2d9i h ASN 39 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2d9i h ASN 39 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 2d9i h ASN 39 CO 0.06 0.17 0.00 0.61 -0.00 0.00 0.00 177.43 178.27 2d9i n GLY 40 N 1.78 2.98 0.00 1.57 0.00 -0.63 -5.01 105.19 105.88 2d9i n GLY 40 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 3.94 3.76 -0.02 0.00 -1.21 -4.95 105.19 106.70 2d9i n GLY 41 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.42 4.21 0.00 1.61 -2.85 -1.26 -4.87 119.74 116.15 2d9i s LYS 42 Ca 0.00 2.43 0.15 0.00 -1.00 0.00 0.00 55.97 57.55 2d9i s LYS 42 Cb 0.00 -3.03 0.85 0.00 -2.06 0.00 0.00 37.83 33.59 2d9i s LYS 42 CO 0.00 -0.44 1.38 -0.35 0.10 0.00 0.00 175.35 176.04 2d9i n PRO 43 N 1.21 0.36 -4.70 1.78 -0.04 -1.26 -4.75 135.00 127.60 2d9i n PRO 43 Ca 0.03 0.07 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 2d9i n PRO 43 Cb 0.40 -1.50 -0.08 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 -2.27 1.87 -0.03 0.54 1.13 -1.26 0.66 117.35 117.99 2d9i s TYR 44 Ca 0.19 -1.02 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 2d9i s TYR 44 Cb 0.10 -1.52 0.03 0.00 -1.10 0.00 0.00 41.96 39.47 2d9i s TYR 44 CO 0.20 0.12 -0.00 -1.17 -2.51 0.00 0.00 175.55 172.19 2d9i s LEU 45 N -3.81 1.12 -0.28 -3.49 2.96 0.75 -4.73 118.68 111.20 2d9i s LEU 45 Ca 0.11 -0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.72 2d9i s LEU 45 Cb 0.02 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.45 2d9i s LEU 45 CO 0.06 -0.10 0.91 -0.44 -1.32 0.00 0.00 176.35 175.46 2d9i s SER 46 N 1.11 6.84 -0.28 3.68 0.01 -1.26 -2.47 113.70 121.33 2d9i s SER 46 Ca -0.09 0.96 0.02 0.00 1.31 0.00 0.00 55.95 58.16 2d9i s SER 46 Cb -0.14 -2.47 0.08 0.00 0.21 0.00 0.00 66.02 63.70 2d9i s SER 46 CO -0.02 -0.67 -0.03 -0.69 0.41 0.00 0.00 173.24 172.25 2d9i s VAL 47 N 3.15 1.89 -0.40 3.43 1.01 -0.72 -1.48 120.40 127.27 2d9i s VAL 47 Ca 0.38 -1.70 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2d9i s VAL 47 Cb -0.14 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.06 2d9i s VAL 47 CO 0.11 -0.27 0.37 -0.63 0.00 0.00 0.00 175.10 174.67 2d9i s ILE 48 N 1.18 5.17 -0.17 2.22 1.01 -1.17 -1.72 121.20 127.73 2d9i s ILE 48 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2d9i s ILE 48 Cb -0.19 -3.95 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 2d9i s ILE 48 CO -0.08 -0.32 0.14 0.35 0.00 0.00 0.00 174.94 175.03 2d9i n THR 49 N 5.29 1.67 -3.86 2.92 -2.24 -1.26 -0.27 114.28 116.53 2d9i n THR 49 Ca -0.09 -0.62 -0.28 0.00 -2.27 0.00 0.00 64.05 60.79 2d9i n THR 49 Cb 0.48 -1.61 -0.17 0.00 -2.10 0.00 0.00 70.33 66.93 2d9i n THR 49 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2d9i s GLY 50 N -5.94 0.89 0.03 3.38 0.00 -1.26 -3.32 107.32 101.10 2d9i s GLY 50 Ca -0.27 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.71 2d9i s GLY 50 CO 0.71 1.01 -0.07 -1.60 0.00 0.00 0.00 173.10 173.15 2d9i s ARG 51 N 1.68 0.50 0.00 2.90 6.06 -1.26 -4.40 118.95 124.43 2d9i s ARG 51 Ca 0.01 -0.62 0.00 0.00 -2.50 0.00 0.00 55.73 52.62 2d9i s ARG 51 Cb -0.15 -0.32 0.00 0.00 0.06 0.00 0.00 34.95 34.54 2d9i s ARG 51 CO -0.07 0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.20 2d9i n GLY 52 N 1.82 3.73 0.36 8.12 0.00 -1.26 -5.04 105.19 112.91 2d9i n GLY 52 Ca -0.20 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -0.81 -1.87 1.61 -0.73 -2.05 -3.40 115.58 108.33 2d9i h ASN 53 Ca 0.00 0.05 -0.60 0.00 1.87 0.00 0.00 56.30 57.62 2d9i h ASN 53 Cb 0.00 0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 2d9i h ASN 53 CO 0.00 -0.50 1.49 1.57 -0.37 0.00 0.00 177.43 179.62 2d9i n HIS 54 N -5.45 1.92 -1.68 0.67 -0.00 -1.26 -4.87 115.22 104.55 2d9i n HIS 54 Ca -0.12 -0.08 -0.47 0.00 0.46 0.00 0.00 57.72 57.51 2d9i n HIS 54 Cb 0.35 -2.70 -0.04 0.00 -0.12 0.00 0.00 29.99 27.47 2d9i n HIS 54 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2d9i n SER 55 N 11.48 3.35 -4.41 0.26 2.88 -1.26 -4.97 113.62 120.95 2d9i n SER 55 Ca 0.31 1.01 -0.20 0.00 -1.33 0.00 0.00 58.87 58.66 2d9i n SER 55 Cb 0.42 -1.40 -0.10 0.00 -0.75 0.00 0.00 64.21 62.38 2d9i n SER 55 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2d9i s GLN 56 N 2.87 1.50 0.00 -1.46 2.00 -1.26 -5.16 119.66 118.16 2d9i s GLN 56 Ca 0.87 -1.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.47 2d9i s GLN 56 Cb -0.67 -1.03 0.00 0.00 0.80 0.00 0.00 33.01 32.10 2d9i s GLN 56 CO 0.46 0.00 0.00 0.41 -0.50 0.00 0.00 175.29 175.66 2d9i n GLY 57 N -0.55 -2.22 2.71 2.59 0.00 -1.26 -5.00 105.19 101.46 2d9i n GLY 57 Ca -0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 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 1.16 2.22 0.92 -0.02 0.00 -1.26 -4.85 105.19 103.37 2d9i n GLY 58 Ca 0.00 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.74 2d9i n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2d9i n VAL 59 N -0.43 0.92 -1.57 1.61 0.24 -1.26 -4.95 118.33 112.89 2d9i n VAL 59 Ca 0.12 -0.58 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 2d9i n VAL 59 Cb 0.81 -0.08 0.07 0.00 -1.47 0.00 0.00 33.84 33.18 2d9i n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d9i n ALA 60 N 0.43 0.45 0.73 2.33 0.00 -1.26 -4.94 120.51 118.25 2d9i n ALA 60 Ca 0.13 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.57 2d9i n ALA 60 Cb 0.51 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 2d9i n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2d9i n ARG 61 N -1.74 1.83 -0.01 0.00 5.12 -1.26 -4.49 116.66 116.11 2d9i n ARG 61 Ca 0.15 -0.16 -0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2d9i n ARG 61 Cb 0.48 -1.24 -0.00 0.00 -1.16 0.00 0.00 32.46 30.54 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2d9i h ILE 62 N 0.35 0.00 -1.00 0.55 2.04 -1.93 -3.26 117.51 114.25 2d9i h ILE 62 Ca 0.00 -0.33 0.19 0.00 1.00 0.00 0.00 64.86 65.72 2d9i h ILE 62 Cb 0.40 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.30 2d9i h ILE 62 CO 0.00 0.00 -0.27 1.17 0.00 0.00 0.00 178.15 179.05 2d9i n LYS 63 N -2.95 -0.12 -0.11 2.37 4.81 -1.26 -0.72 118.16 120.18 2d9i n LYS 63 Ca -0.00 1.55 -0.09 0.00 -0.87 0.00 0.00 58.31 58.90 2d9i n LYS 63 Cb 0.01 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 32.71 2d9i n LYS 63 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2d9i h PRO 64 N 0.00 -0.29 0.70 1.64 0.11 -1.79 -1.68 132.00 130.69 2d9i h PRO 64 Ca 0.46 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.56 2d9i h PRO 64 Cb 0.71 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2d9i h PRO 64 CO -1.02 -0.19 -0.50 0.00 -0.21 0.00 0.00 178.00 176.07 2d9i h ALA 65 N 0.58 -1.24 -0.99 -0.75 0.00 -0.97 -2.52 119.26 113.37 2d9i h ALA 65 Ca 0.15 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.02 2d9i h ALA 65 Cb 0.56 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 2d9i h ALA 65 CO -0.54 -1.22 -0.28 0.28 0.00 0.00 0.00 179.25 177.49 2d9i h VAL 66 N -1.15 0.00 -0.81 0.00 2.07 -1.09 1.22 116.25 116.50 2d9i h VAL 66 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 2d9i h VAL 66 Cb 0.95 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2d9i h VAL 66 CO 0.05 0.00 0.53 0.40 0.02 0.00 0.00 177.57 178.57 2d9i h ILE 67 N -0.00 1.00 -0.55 4.57 2.04 -1.08 0.93 117.51 124.42 2d9i h ILE 67 Ca 0.45 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 2d9i h ILE 67 Cb 0.70 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2d9i h ILE 67 CO -1.02 0.15 -0.04 0.50 0.00 0.00 0.00 178.15 177.74 2d9i h LYS 68 N 0.83 0.99 -0.30 2.37 1.63 0.19 -2.05 116.57 120.22 2d9i h LYS 68 Ca 0.36 -0.34 -0.18 0.00 -0.85 0.00 0.00 60.65 59.65 2d9i h LYS 68 Cb 0.33 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2d9i h LYS 68 CO -0.14 1.02 -0.50 -0.92 -3.45 0.00 0.00 179.45 175.46 2d9i h TYR 69 N 0.87 1.05 0.96 1.91 5.03 -0.16 -2.99 116.97 123.65 2d9i h TYR 69 Ca 0.15 -0.36 -0.05 0.00 2.58 0.00 0.00 58.73 61.05 2d9i h TYR 69 Cb 0.60 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 38.68 2d9i h TYR 69 CO 0.04 1.17 -0.46 -0.07 -1.32 0.00 0.00 178.16 177.52 2d9i h LEU 70 N 0.66 -1.10 -0.92 2.82 3.38 -0.76 -2.93 115.31 116.47 2d9i h LEU 70 Ca 0.03 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.28 2d9i h LEU 70 Cb 1.10 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 42.00 2d9i h LEU 70 CO 0.11 -0.76 0.40 0.40 0.09 0.00 0.00 178.44 178.67 2d9i h ILE 71 N -1.34 0.41 -0.20 1.22 2.04 -1.46 0.52 117.51 118.71 2d9i h ILE 71 Ca -0.13 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2d9i h ILE 71 Cb 0.99 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2d9i h ILE 71 CO 0.22 0.06 -0.49 -1.28 0.00 0.00 0.00 178.15 176.66 2d9i h SER 72 N 0.35 -1.58 -0.05 1.72 0.87 -1.35 0.32 113.55 113.84 2d9i h SER 72 Ca 0.59 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.35 2d9i h SER 72 Cb 1.18 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2d9i h SER 72 CO -0.57 -0.45 0.00 1.41 -0.53 0.00 0.00 176.83 176.70 2d9i n HIS 73 N -5.43 0.06 -3.62 2.24 8.25 -0.49 -4.87 115.22 111.37 2d9i n HIS 73 Ca -0.04 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 2d9i n HIS 73 Cb 0.37 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.39 -5.69 -4.65 0.41 7.64 0.11 -4.92 113.62 106.12 2d9i n SER 74 Ca 0.04 -0.58 -0.43 0.00 1.01 0.00 0.00 58.87 58.91 2d9i n SER 74 Cb 0.05 -4.91 -0.02 0.00 -1.01 0.00 0.00 64.21 58.33 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 -3.33 3.00 0.03 1.43 0.08 0.02 -4.96 117.98 114.24 2d9i s PHE 75 Ca 0.53 1.13 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 2d9i s PHE 75 Cb -0.24 -3.58 -0.05 0.00 -0.57 0.00 0.00 43.02 38.58 2d9i s PHE 75 CO 0.74 -1.20 1.28 0.50 -0.10 0.00 0.00 175.22 176.45 2d9i s ARG 76 N 3.61 4.36 0.05 0.44 3.52 -1.26 -4.55 118.95 125.12 2d9i s ARG 76 Ca 0.50 1.85 -0.11 0.00 -0.13 0.00 0.00 55.73 57.84 2d9i s ARG 76 Cb -0.17 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 2d9i s ARG 76 CO 0.15 -0.41 0.25 -0.59 -0.81 0.00 0.00 175.30 173.88 2d9i s PHE 77 N 1.67 -0.01 0.07 5.12 -0.71 -1.26 -2.44 117.98 120.42 2d9i s PHE 77 Ca 0.60 -0.22 0.01 0.00 -1.04 0.00 0.00 56.93 56.29 2d9i s PHE 77 Cb -0.30 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 2d9i s PHE 77 CO 0.27 -0.49 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.48 2d9i s SER 78 N -2.24 0.92 -0.45 1.98 0.01 -0.76 -5.01 113.70 108.15 2d9i s SER 78 Ca -0.03 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.24 2d9i s SER 78 Cb 0.00 0.10 0.09 0.00 0.21 0.00 0.00 66.02 66.42 2d9i s SER 78 CO -0.05 -0.42 0.32 -0.70 0.41 0.00 0.00 173.24 172.79 2d9i s GLU 79 N -3.23 2.69 -0.06 12.44 2.56 -1.26 -2.55 118.70 129.30 2d9i s GLU 79 Ca 0.05 -1.50 0.18 0.00 0.00 0.00 0.00 54.97 53.70 2d9i s GLU 79 Cb 0.02 -3.91 -0.22 0.00 2.00 0.00 0.00 34.13 32.02 2d9i s GLU 79 CO -0.04 -1.03 0.49 0.44 -0.56 0.00 0.00 175.26 174.56 2d9i n ILE 80 N 5.00 1.11 -4.14 -3.70 -5.35 -1.26 -4.96 119.36 106.05 2d9i n ILE 80 Ca -0.10 -0.73 -0.15 0.00 -0.27 0.00 0.00 62.75 61.50 2d9i n ILE 80 Cb 0.43 -0.55 -0.11 0.00 -1.74 0.00 0.00 39.64 37.66 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 -2.84 0.76 0.00 6.28 1.02 -1.26 -5.02 119.74 118.68 2d9i s LYS 81 Ca -0.06 -1.02 0.10 0.00 0.02 0.00 0.00 55.97 55.01 2d9i s LYS 81 Cb 0.09 -0.52 0.57 0.00 -0.52 0.00 0.00 37.83 37.45 2d9i s LYS 81 CO 0.84 0.09 1.02 -0.35 -0.92 0.00 0.00 175.35 176.02 2d9i n PRO 82 N 0.93 0.49 -0.93 -1.68 -0.04 -1.26 -2.76 135.00 129.74 2d9i n PRO 82 Ca -0.19 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.26 2d9i n PRO 82 Cb 0.56 -1.31 -0.02 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 0.75 3.16 0.55 0.00 -1.26 -4.99 105.19 103.38 2d9i n GLY 83 Ca 0.07 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.53 1.88 -0.25 0.00 1.43 -0.70 -4.00 118.68 116.51 2d9i s LEU 85 Ca -0.06 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2d9i s LEU 85 Cb -0.04 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 2d9i s LEU 85 CO 0.02 0.12 0.03 -0.75 0.23 0.00 0.00 176.35 176.00 2d9i s LYS 86 N 0.32 3.44 -0.21 1.70 2.20 -1.06 -1.76 119.74 124.37 2d9i s LYS 86 Ca -0.12 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2d9i s LYS 86 Cb -0.15 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2d9i s LYS 86 CO 0.05 -0.24 -0.16 0.08 -0.36 0.00 0.00 175.35 174.72 2d9i s VAL 87 N 1.54 2.18 0.00 4.02 1.01 -1.03 -1.83 120.40 126.29 2d9i s VAL 87 Ca 0.05 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 2d9i s VAL 87 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2d9i s VAL 87 CO 0.01 0.34 1.27 -0.04 0.00 0.00 0.00 175.10 176.68 2d9i s MET 88 N 1.24 4.35 -0.32 2.72 1.00 -1.02 -0.17 119.30 127.09 2d9i s MET 88 Ca 0.00 1.81 -0.29 0.00 0.00 0.00 0.00 55.69 57.21 2d9i s MET 88 Cb -0.15 -3.49 -0.00 0.00 0.00 0.00 0.00 34.83 31.18 2d9i s MET 88 CO -0.10 -0.44 1.47 -0.51 0.00 0.00 0.00 175.02 175.44 2d9i s LEU 89 N 1.90 3.74 -0.46 -0.03 1.43 0.21 -4.67 118.68 120.80 2d9i s LEU 89 Ca 0.59 1.18 -0.27 0.00 -1.03 0.00 0.00 54.13 54.61 2d9i s LEU 89 Cb -0.29 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2d9i s LEU 89 CO 0.26 -1.31 1.90 -0.54 0.23 0.00 0.00 176.35 176.89 2d9i s LYS 90 N 4.71 2.91 0.09 1.70 1.02 -1.26 -4.85 119.74 124.06 2d9i s LYS 90 Ca 0.64 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.44 2d9i s LYS 90 Cb -0.18 -4.32 -0.06 0.00 -0.52 0.00 0.00 37.83 32.75 2d9i s LYS 90 CO 0.29 -2.37 1.14 -1.54 -0.92 0.00 0.00 175.35 171.95 2d9i s SER 91 N 7.62 7.17 0.00 2.83 1.04 -1.26 -4.86 113.70 126.24 2d9i s SER 91 Ca 0.77 1.99 0.00 0.00 0.48 0.00 0.00 55.95 59.19 2d9i s SER 91 Cb -0.18 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2d9i s SER 91 CO 0.28 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2d9i n GLY 92 N 2.82 1.46 3.77 7.32 0.00 -1.26 -5.02 105.19 114.28 2d9i n GLY 92 Ca 0.07 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.06 3.14 0.22 1.61 0.04 -1.26 -4.91 135.00 131.78 2d9i s PRO 93 Ca 0.00 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 2d9i s PRO 93 Cb 0.00 -1.98 0.33 0.00 0.04 0.00 0.00 34.50 32.88 2d9i s PRO 93 CO 0.00 -1.00 1.31 0.43 0.04 0.00 0.00 177.00 177.77 2d9i n SER 94 N -1.74 -0.38 -3.56 6.66 7.64 -1.26 -4.79 113.62 116.19 2d9i n SER 94 Ca 0.11 1.45 -0.22 0.00 1.01 0.00 0.00 58.87 61.22 2d9i n SER 94 Cb 0.51 -0.40 0.08 0.00 -1.01 0.00 0.00 64.21 63.39 2d9i n SER 94 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d9i n SER 95 N -5.33 -5.45 0.00 6.43 2.88 -1.26 -5.20 113.62 105.70 2d9i n SER 95 Ca 0.12 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 2d9i n SER 95 Cb 0.39 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 58.80 2d9i n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42