#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 0.21 0.24 1.61 0.01 -1.26 -5.04 113.70 109.47 2d9i s SER 2 Ca 0.00 -0.63 -0.07 0.00 1.31 0.00 0.00 55.95 56.56 2d9i s SER 2 Cb 0.00 0.25 0.39 0.00 0.21 0.00 0.00 66.02 66.87 2d9i s SER 2 CO 0.00 -0.58 1.36 -1.20 0.41 0.00 0.00 173.24 173.24 2d9i n SER 3 N 0.47 -0.33 -0.41 2.44 7.64 -1.26 -4.83 113.62 117.35 2d9i n SER 3 Ca -0.17 1.50 0.00 0.00 1.01 0.00 0.00 58.87 61.21 2d9i n SER 3 Cb 0.60 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.54 0.75 3.71 0.23 0.00 -1.26 -5.02 105.19 102.06 2d9i n GLY 4 Ca 0.14 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2d9i n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9i s SER 5 N -2.37 6.47 0.51 1.61 0.15 -1.26 -5.00 113.70 113.81 2d9i s SER 5 Ca 0.00 2.74 0.08 0.00 0.70 0.00 0.00 55.95 59.47 2d9i s SER 5 Cb 0.00 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2d9i s SER 5 CO 0.00 -0.93 0.63 -0.94 1.20 0.00 0.00 173.24 173.20 2d9i s SER 6 N 1.61 5.15 0.00 5.45 1.04 -1.26 -5.06 113.70 120.63 2d9i s SER 6 Ca 0.75 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2d9i s SER 6 Cb -0.46 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2d9i s SER 6 CO 0.33 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2d9i n GLY 7 N -1.99 -0.22 3.85 7.32 0.00 -1.26 -5.17 105.19 107.72 2d9i n GLY 7 Ca 0.10 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2d9i n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d9i s GLN 8 N 0.00 3.54 -0.15 1.61 2.00 -1.26 -4.98 119.66 120.42 2d9i s GLN 8 Ca 0.00 0.88 0.16 0.00 -2.00 0.00 0.00 55.36 54.40 2d9i s GLN 8 Cb 0.00 -2.07 0.64 0.00 0.80 0.00 0.00 33.01 32.38 2d9i s GLN 8 CO 0.00 -0.61 1.55 0.09 -0.50 0.00 0.00 175.29 175.82 2d9i n ASN 9 N -2.46 4.53 -3.94 6.67 3.02 -1.26 -4.93 115.26 116.89 2d9i n ASN 9 Ca 0.07 -2.68 -0.18 0.00 -0.03 0.00 0.00 54.58 51.76 2d9i n ASN 9 Cb 0.54 -0.55 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2d9i s VAL 10 N -2.26 0.49 -0.15 2.41 0.11 -1.26 -0.29 120.40 119.44 2d9i s VAL 10 Ca 0.46 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2d9i s VAL 10 Cb 0.33 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2d9i s VAL 10 CO 0.17 0.17 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.76 2d9i s LEU 11 N 0.31 1.73 -0.34 2.54 2.96 0.51 -4.97 118.68 121.42 2d9i s LEU 11 Ca -0.04 -0.54 -0.23 0.00 -0.22 0.00 0.00 54.13 53.11 2d9i s LEU 11 Cb -0.08 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.47 2d9i s LEU 11 CO -0.00 -0.08 0.75 1.51 -1.32 0.00 0.00 176.35 177.21 2d9i s ASP 12 N 1.50 6.57 -0.06 3.68 1.47 -1.26 -1.74 116.67 126.83 2d9i s ASP 12 Ca 0.04 0.45 0.20 0.00 1.18 0.00 0.00 52.55 54.42 2d9i s ASP 12 Cb -0.13 -2.39 -0.26 0.00 -0.34 0.00 0.00 42.92 39.80 2d9i s ASP 12 CO -0.10 -0.65 0.42 0.18 0.68 0.00 0.00 175.17 175.70 2d9i n LEU 13 N 6.25 0.16 -4.67 2.11 4.77 0.89 -4.94 117.00 121.57 2d9i n LEU 13 Ca 0.02 0.07 -0.47 0.00 -0.03 0.00 0.00 56.01 55.60 2d9i n LEU 13 Cb 0.48 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2d9i n LEU 13 CO 0.51 0.17 1.34 0.00 -1.33 0.00 0.00 177.39 178.09 2d9i n HIS 14 N -2.53 2.29 0.00 -1.77 1.44 -0.66 -1.97 115.22 112.03 2d9i n HIS 14 Ca -0.14 0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2d9i n HIS 14 Cb 0.80 -2.60 0.00 0.00 0.12 0.00 0.00 29.99 28.31 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 3.91 1.44 3.95 -1.39 0.00 -1.26 -5.06 105.19 106.78 2d9i n GLY 15 Ca 0.20 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 2.81 0.06 0.99 1.43 -0.83 -5.07 118.68 118.07 2d9i s LEU 16 Ca 0.00 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 2d9i s LEU 16 Cb 0.00 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2d9i s LEU 16 CO 0.00 -2.34 0.45 -2.28 0.23 0.00 0.00 176.35 172.42 2d9i s HIS 17 N -3.58 3.67 0.19 0.29 5.65 -1.26 -4.81 115.29 115.43 2d9i s HIS 17 Ca 0.70 0.97 -0.10 0.00 0.25 0.00 0.00 55.06 56.89 2d9i s HIS 17 Cb -0.05 -2.29 0.25 0.00 -1.18 0.00 0.00 32.58 29.32 2d9i s HIS 17 CO 0.49 0.56 1.16 0.28 -0.65 0.00 0.00 174.74 176.58 2d9i n VAL 18 N 1.31 -0.36 0.06 0.89 0.31 -1.26 0.95 118.33 120.23 2d9i n VAL 18 Ca -0.10 1.73 -0.12 0.00 -0.01 0.00 0.00 64.34 65.85 2d9i n VAL 18 Cb 0.52 -2.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.05 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 -0.21 0.96 4.52 3.58 -1.97 -1.42 116.42 121.88 2d9i h ASP 19 Ca 0.30 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.74 2d9i h ASP 19 Cb 0.49 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.64 2d9i h ASP 19 CO -0.75 -0.12 -0.48 -0.33 -2.88 0.00 0.00 179.24 174.68 2d9i h GLU 20 N -0.15 -1.26 -0.74 0.28 3.07 0.20 -2.48 114.58 113.50 2d9i h GLU 20 Ca 0.02 0.09 0.13 0.00 -0.50 0.00 0.00 59.36 59.10 2d9i h GLU 20 Cb 0.17 0.29 -0.14 0.00 -0.84 0.00 0.00 28.75 28.23 2d9i h GLU 20 CO -0.06 -0.84 -0.30 0.00 -1.40 0.00 0.00 179.01 176.41 2d9i h ALA 21 N -1.27 0.20 0.03 3.43 0.00 -0.29 -1.14 119.26 120.22 2d9i h ALA 21 Ca -0.13 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2d9i h ALA 21 Cb 1.01 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2d9i h ALA 21 CO 0.20 -0.57 -0.36 -0.07 0.00 0.00 0.00 179.25 178.46 2d9i h LEU 22 N -0.07 -1.09 -1.01 0.00 3.38 -1.16 0.23 115.31 115.58 2d9i h LEU 22 Ca 0.31 0.12 0.31 0.00 0.09 0.00 0.00 57.88 58.70 2d9i h LEU 22 Cb 0.57 0.41 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2d9i h LEU 22 CO -0.79 -0.36 0.58 -0.33 0.09 0.00 0.00 178.44 177.63 2d9i h GLU 23 N -0.47 0.36 0.21 1.13 5.08 -0.87 0.30 114.58 120.33 2d9i h GLU 23 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2d9i h GLU 23 Cb 0.49 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2d9i h GLU 23 CO -0.22 0.24 -0.10 0.45 -1.00 0.00 0.00 179.01 178.38 2d9i h HIS 24 N 0.38 -0.26 -0.48 4.33 3.86 -0.02 -0.86 115.15 122.10 2d9i h HIS 24 Ca 0.72 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 60.02 2d9i h HIS 24 Cb 1.59 0.08 -0.10 0.00 1.06 0.00 0.00 27.41 30.05 2d9i h HIS 24 CO -0.01 0.08 -0.27 1.25 0.86 0.00 0.00 177.93 179.84 2d9i h LEU 25 N -0.63 -0.93 0.14 2.43 5.85 0.15 0.39 115.31 122.69 2d9i h LEU 25 Ca -0.03 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2d9i h LEU 25 Cb 0.46 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2d9i h LEU 25 CO 0.05 -0.28 -0.07 0.00 -0.34 0.00 0.00 178.44 177.80 2d9i h MET 26 N -0.17 -0.18 0.20 1.25 -0.00 -1.32 -0.67 114.93 114.04 2d9i h MET 26 Ca 0.21 0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.92 2d9i h MET 26 Cb 0.51 0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.13 2d9i h MET 26 CO -0.58 -0.02 -0.29 0.00 -0.00 0.00 0.00 176.91 176.02 2d9i h ARG 27 N -0.30 -0.49 -0.97 -0.10 2.47 -0.35 -2.30 114.38 112.34 2d9i h ARG 27 Ca -0.02 0.03 0.20 0.00 -1.26 0.00 0.00 59.98 58.93 2d9i h ARG 27 Cb 0.24 0.11 -0.11 0.00 -1.65 0.00 0.00 29.97 28.56 2d9i h ARG 27 CO 0.03 -0.33 0.56 -0.39 0.56 0.00 0.00 179.97 180.41 2d9i h VAL 28 N -0.51 0.65 -0.82 2.04 -1.51 -0.31 0.24 116.25 116.03 2d9i h VAL 28 Ca -0.02 -0.23 0.19 0.00 -1.23 0.00 0.00 66.70 65.40 2d9i h VAL 28 Cb 0.47 -0.08 -0.05 0.00 -2.13 0.00 0.00 31.29 29.49 2d9i h VAL 28 CO -0.09 0.12 0.55 -0.07 -1.23 0.00 0.00 177.57 176.86 2d9i h LEU 29 N 0.67 0.32 0.09 4.19 3.38 -0.57 0.66 115.31 124.05 2d9i h LEU 29 Ca 0.58 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 58.36 2d9i h LEU 29 Cb 0.95 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.69 2d9i h LEU 29 CO -0.41 0.14 -0.89 -0.33 0.09 0.00 0.00 178.44 177.04 2d9i h GLU 30 N 0.32 0.44 0.37 1.13 4.39 -0.13 -3.19 114.58 117.92 2d9i h GLU 30 Ca 0.41 -0.60 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2d9i h GLU 30 Cb 1.11 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2d9i h GLU 30 CO -0.12 1.24 -0.18 -0.22 -1.16 0.00 0.00 179.01 178.57 2d9i h LYS 31 N -0.07 -0.48 -0.94 2.33 3.11 -0.74 -2.82 116.57 116.97 2d9i h LYS 31 Ca -0.14 0.03 0.10 0.00 -2.81 0.00 0.00 60.65 57.84 2d9i h LYS 31 Cb 1.62 0.11 -0.12 0.00 -1.00 0.00 0.00 32.23 32.84 2d9i h LYS 31 CO 0.17 -0.32 -0.50 1.63 -2.81 0.00 0.00 179.45 177.62 2d9i n LYS 32 N -4.50 -0.35 0.09 1.90 4.76 0.22 0.22 118.16 120.49 2d9i n LYS 32 Ca -0.06 1.43 0.16 0.00 -2.87 0.00 0.00 58.31 56.97 2d9i n LYS 32 Cb 0.20 -2.11 0.69 0.00 -1.84 0.00 0.00 35.03 31.97 2d9i n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2d9i h THR 33 N 0.00 0.78 0.03 -0.18 1.03 -1.66 -2.15 112.91 110.76 2d9i h THR 33 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.61 2d9i h THR 33 Cb 0.44 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.33 2d9i h THR 33 CO -0.90 0.00 -0.09 -0.08 -0.01 0.00 0.00 175.52 174.44 2d9i h GLU 34 N 0.00 -0.13 -0.82 0.00 4.81 0.29 -0.98 114.58 117.75 2d9i h GLU 34 Ca 0.16 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2d9i h GLU 34 Cb 0.67 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 2d9i h GLU 34 CO -0.00 -0.09 0.47 0.93 -0.73 0.00 0.00 179.01 179.59 2d9i h GLU 35 N -0.14 1.12 -0.97 1.92 4.39 -1.41 0.24 114.58 119.74 2d9i h GLU 35 Ca -0.00 -0.11 0.21 0.00 0.34 0.00 0.00 59.36 59.80 2d9i h GLU 35 Cb 0.13 -0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 28.47 2d9i h GLU 35 CO -0.04 0.80 0.62 0.35 -1.16 0.00 0.00 179.01 179.58 2d9i h PHE 36 N 1.13 0.73 0.00 4.33 3.57 -1.11 0.61 116.94 126.21 2d9i h PHE 36 Ca 0.29 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.57 2d9i h PHE 36 Cb -0.02 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 2d9i h PHE 36 CO 0.01 0.16 -1.45 1.63 -2.23 0.00 0.00 178.31 176.43 2d9i n LYS 37 N -4.61 0.55 0.18 1.11 5.02 -0.40 -2.01 118.16 118.01 2d9i n LYS 37 Ca 0.22 0.47 -0.15 0.00 -2.02 0.00 0.00 58.31 56.83 2d9i n LYS 37 Cb 0.70 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.00 -0.67 0.00 1.97 1.08 -0.37 -3.38 115.11 112.75 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 1.25 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2d9i h GLN 38 CO -0.22 -0.45 -0.16 -0.97 -0.95 0.00 0.00 178.83 176.09 2d9i h ASN 39 N -0.69 0.00 0.00 1.46 -1.24 -0.09 -3.46 115.58 111.55 2d9i h ASN 39 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2d9i h ASN 39 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 2d9i h ASN 39 CO -0.13 0.25 0.00 0.61 -1.29 0.00 0.00 177.43 176.87 2d9i n GLY 40 N 1.72 3.39 0.00 1.57 0.00 0.14 -4.78 105.19 107.23 2d9i n GLY 40 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 3.92 3.76 -0.02 0.00 -0.85 -4.85 105.19 107.15 2d9i n GLY 41 Ca 0.00 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 0.03 4.40 0.00 1.61 1.02 -1.26 -4.89 119.74 120.65 2d9i s LYS 42 Ca 0.00 2.12 0.11 0.00 0.02 0.00 0.00 55.97 58.22 2d9i s LYS 42 Cb 0.00 -3.13 0.67 0.00 -0.52 0.00 0.00 37.83 34.85 2d9i s LYS 42 CO 0.00 -0.17 1.10 -0.35 -0.92 0.00 0.00 175.35 175.01 2d9i n PRO 43 N 1.58 0.49 -4.46 -1.68 -0.04 -1.26 -4.74 135.00 124.89 2d9i n PRO 43 Ca 0.02 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 2d9i n PRO 43 Cb 0.42 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2d9i n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2d9i s TYR 44 N -2.00 1.78 -0.06 0.54 1.13 -1.26 0.73 117.35 118.20 2d9i s TYR 44 Ca 0.17 -1.24 -0.03 0.00 -1.41 0.00 0.00 57.07 54.55 2d9i s TYR 44 Cb 0.08 -1.11 0.03 0.00 -1.10 0.00 0.00 41.96 39.86 2d9i s TYR 44 CO 0.13 -0.29 0.15 -1.17 -2.51 0.00 0.00 175.55 171.86 2d9i s LEU 45 N -3.53 0.91 0.12 -3.49 2.96 0.13 -4.78 118.68 111.00 2d9i s LEU 45 Ca 0.29 0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 54.24 2d9i s LEU 45 Cb 0.04 0.41 -0.07 0.00 0.50 0.00 0.00 46.19 47.08 2d9i s LEU 45 CO 0.15 -0.12 0.81 -0.44 -1.32 0.00 0.00 176.35 175.43 2d9i s SER 46 N 0.87 7.35 -0.07 3.68 0.01 0.60 -2.11 113.70 124.03 2d9i s SER 46 Ca -0.07 1.61 -0.03 0.00 1.31 0.00 0.00 55.95 58.77 2d9i s SER 46 Cb -0.09 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.68 2d9i s SER 46 CO -0.04 0.09 0.11 -0.69 0.41 0.00 0.00 173.24 173.12 2d9i s VAL 47 N -0.56 -0.18 -0.43 3.43 1.01 -1.05 -0.36 120.40 122.27 2d9i s VAL 47 Ca 0.39 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 2d9i s VAL 47 Cb -0.22 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 35.96 2d9i s VAL 47 CO 0.26 0.11 0.30 -0.63 0.00 0.00 0.00 175.10 175.14 2d9i s ILE 48 N 2.22 4.73 -0.21 2.22 1.09 -0.71 0.10 121.20 130.63 2d9i s ILE 48 Ca 0.04 -1.13 -0.17 0.00 -1.10 0.00 0.00 60.65 58.29 2d9i s ILE 48 Cb -0.12 -3.80 -0.19 0.00 -1.06 0.00 0.00 42.46 37.29 2d9i s ILE 48 CO -0.05 -0.47 0.11 0.35 -0.10 0.00 0.00 174.94 174.78 2d9i n THR 49 N 5.05 1.57 0.00 2.92 -2.24 -1.20 -0.08 114.28 120.30 2d9i n THR 49 Ca -0.11 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2d9i n THR 49 Cb 0.44 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 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 1.50 3.09 3.25 3.38 0.00 -1.21 -3.09 105.19 112.11 2d9i n GLY 50 Ca -0.37 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.71 0.90 0.00 1.61 3.52 -1.26 -4.43 118.95 114.57 2d9i s ARG 51 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2d9i s ARG 51 Cb 0.00 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 2d9i s ARG 51 CO 0.00 -0.31 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 2d9i n GLY 52 N 0.09 0.88 3.69 8.12 0.00 -1.26 -4.66 105.19 112.05 2d9i n GLY 52 Ca -0.16 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2d9i n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d9i s ASN 53 N -0.03 6.57 0.08 1.61 0.01 -1.26 -4.85 114.94 117.07 2d9i s ASN 53 Ca 0.00 2.55 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 2d9i s ASN 53 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2d9i s ASN 53 CO 0.00 -0.91 -0.05 -1.00 -1.51 0.00 0.00 177.10 173.64 2d9i s HIS 54 N 2.53 0.74 0.09 2.20 3.76 -1.26 -5.07 115.29 118.28 2d9i s HIS 54 Ca 0.75 -0.99 -0.25 0.00 -0.15 0.00 0.00 55.06 54.41 2d9i s HIS 54 Cb -0.41 -0.46 -0.16 0.00 1.11 0.00 0.00 32.58 32.65 2d9i s HIS 54 CO 0.33 -0.26 1.71 0.66 -0.85 0.00 0.00 174.74 176.33 2d9i h SER 55 N 3.04 -0.17 -2.83 1.40 4.64 -1.97 -3.37 113.55 114.28 2d9i h SER 55 Ca -0.35 0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.48 2d9i h SER 55 Cb 1.16 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2d9i h SER 55 CO 0.65 -0.12 -0.24 -1.10 -0.87 0.00 0.00 176.83 175.15 2d9i s GLN 56 N -6.16 3.52 0.00 4.77 -0.21 -1.26 -4.63 119.66 115.68 2d9i s GLN 56 Ca -0.14 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 54.93 2d9i s GLN 56 Cb 0.05 -2.73 0.00 0.00 1.00 0.00 0.00 33.01 31.34 2d9i s GLN 56 CO 0.65 0.25 0.00 0.41 -2.12 0.00 0.00 175.29 174.48 2d9i n GLY 57 N -1.29 2.20 0.00 3.09 0.00 -1.26 -4.94 105.19 102.99 2d9i n GLY 57 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.08 3.85 -0.02 0.00 -1.26 -5.00 105.19 101.68 2d9i n GLY 58 Ca 0.00 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 2d9i n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d9i s VAL 59 N 0.00 4.90 0.02 1.61 1.01 -1.26 -4.66 120.40 122.03 2d9i s VAL 59 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.75 2d9i s VAL 59 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2d9i s VAL 59 CO 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 175.10 175.27 2d9i s ALA 60 N -1.48 3.09 -0.41 5.51 0.00 -1.26 -5.01 121.76 122.20 2d9i s ALA 60 Ca 0.38 -1.04 0.16 0.00 0.00 0.00 0.00 51.96 51.45 2d9i s ALA 60 Cb -0.14 -1.16 0.59 0.00 0.00 0.00 0.00 23.12 22.41 2d9i s ALA 60 CO 0.19 0.63 1.50 -2.13 0.00 0.00 0.00 175.76 175.95 2d9i n ARG 61 N 1.33 3.44 -0.03 0.00 0.63 -1.26 -4.60 116.66 116.17 2d9i n ARG 61 Ca -0.14 -2.82 -0.04 0.00 -0.92 0.00 0.00 57.85 53.93 2d9i n ARG 61 Cb 0.52 -1.87 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 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 2.58 0.35 -0.96 5.15 2.04 -1.91 -3.32 117.51 121.43 2d9i h ILE 62 Ca 0.00 -1.21 0.20 0.00 1.00 0.00 0.00 64.86 64.85 2d9i h ILE 62 Cb 1.47 0.65 -0.18 0.00 -0.74 0.00 0.00 36.82 38.02 2d9i h ILE 62 CO 0.25 0.11 -0.19 0.50 0.00 0.00 0.00 178.15 178.83 2d9i h LYS 63 N -1.00 0.00 -0.53 2.37 3.64 -1.87 0.15 116.57 119.33 2d9i h LYS 63 Ca -0.01 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2d9i h LYS 63 Cb 0.23 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.94 2d9i h LYS 63 CO 0.01 0.00 -0.21 -1.35 -2.27 0.00 0.00 179.45 175.63 2d9i h PRO 64 N 0.00 -0.09 0.06 1.90 0.11 -1.87 0.78 132.00 132.90 2d9i h PRO 64 Ca 0.48 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 2d9i h PRO 64 Cb 0.79 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2d9i h PRO 64 CO -0.97 -0.06 -0.03 0.00 -0.21 0.00 0.00 178.00 176.73 2d9i h ALA 65 N 1.30 -0.08 -0.72 -0.75 0.00 -0.88 -2.98 119.26 115.14 2d9i h ALA 65 Ca 0.25 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2d9i h ALA 65 Cb 0.48 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2d9i h ALA 65 CO -0.59 -0.36 0.14 0.28 0.00 0.00 0.00 179.25 178.71 2d9i h VAL 66 N -0.45 0.49 -0.98 0.00 2.07 -0.61 0.16 116.25 116.94 2d9i h VAL 66 Ca -0.01 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2d9i h VAL 66 Cb 0.39 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2d9i h VAL 66 CO 0.01 0.04 0.63 0.40 0.02 0.00 0.00 177.57 178.68 2d9i h ILE 67 N 0.23 1.12 -0.39 4.57 2.04 -0.84 0.18 117.51 124.43 2d9i h ILE 67 Ca 0.41 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 2d9i h ILE 67 Cb 0.69 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2d9i h ILE 67 CO -0.53 0.22 -0.27 0.50 0.00 0.00 0.00 178.15 178.07 2d9i h LYS 68 N 1.19 0.86 -0.52 2.37 3.64 -0.63 -2.20 116.57 121.28 2d9i h LYS 68 Ca 0.41 -0.41 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2d9i h LYS 68 Cb 0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2d9i h LYS 68 CO -0.15 1.06 -0.12 -0.92 -2.27 0.00 0.00 179.45 177.05 2d9i h TYR 69 N 0.67 1.11 0.55 1.91 5.03 -0.34 -2.89 116.97 123.02 2d9i h TYR 69 Ca 0.08 -0.24 -0.03 0.00 2.58 0.00 0.00 58.73 61.12 2d9i h TYR 69 Cb 0.84 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.85 2d9i h TYR 69 CO 0.06 1.04 -0.27 -0.07 -1.32 0.00 0.00 178.16 177.61 2d9i h LEU 70 N 0.85 -0.63 -0.88 2.82 3.38 -0.61 -2.96 115.31 117.28 2d9i h LEU 70 Ca 0.13 -0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.30 2d9i h LEU 70 Cb 0.68 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2d9i h LEU 70 CO 0.05 -0.38 0.34 0.40 0.09 0.00 0.00 178.44 178.94 2d9i h ILE 71 N -0.85 0.43 -0.38 1.22 2.04 -1.43 -0.36 117.51 118.18 2d9i h ILE 71 Ca -0.08 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.74 2d9i h ILE 71 Cb 0.61 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 2d9i h ILE 71 CO 0.13 0.06 -0.41 -1.28 0.00 0.00 0.00 178.15 176.65 2d9i h SER 72 N 0.33 -1.35 -0.04 1.72 0.87 -1.34 0.59 113.55 114.34 2d9i h SER 72 Ca 0.55 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 2d9i h SER 72 Cb 1.06 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2d9i h SER 72 CO -0.56 -0.36 0.00 1.41 -0.53 0.00 0.00 176.83 176.78 2d9i n HIS 73 N -5.42 0.06 -3.51 2.24 8.25 -0.44 -4.88 115.22 111.53 2d9i n HIS 73 Ca -0.01 -0.03 -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 31.54 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 -0.46 -4.51 -4.73 0.41 2.88 0.21 -4.96 113.62 102.46 2d9i n SER 74 Ca 0.07 -0.57 -0.41 0.00 -1.33 0.00 0.00 58.87 56.64 2d9i n SER 74 Cb 0.07 -5.01 -0.04 0.00 -0.75 0.00 0.00 64.21 58.48 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 -3.33 3.77 -0.29 0.66 0.08 -0.27 -4.97 117.98 113.62 2d9i s PHE 75 Ca 0.33 1.74 -0.19 0.00 0.12 0.00 0.00 56.93 58.93 2d9i s PHE 75 Cb -0.15 -3.05 -0.02 0.00 -0.57 0.00 0.00 43.02 39.24 2d9i s PHE 75 CO 0.72 0.16 0.57 0.50 -0.10 0.00 0.00 175.22 177.07 2d9i s ARG 76 N 0.24 3.96 0.03 0.44 3.52 -1.26 -4.57 118.95 121.31 2d9i s ARG 76 Ca 0.47 0.29 -0.00 0.00 -0.13 0.00 0.00 55.73 56.36 2d9i s ARG 76 Cb -0.22 -3.70 -0.03 0.00 -1.56 0.00 0.00 34.95 29.44 2d9i s ARG 76 CO 0.29 -0.47 -0.03 -0.59 -0.81 0.00 0.00 175.30 173.68 2d9i s PHE 77 N 2.46 0.33 0.02 5.12 -0.71 -1.26 -2.25 117.98 121.68 2d9i s PHE 77 Ca 0.23 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2d9i s PHE 77 Cb -0.15 -0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 2d9i s PHE 77 CO 0.10 -0.24 0.03 0.45 -1.34 0.00 0.00 175.22 174.22 2d9i s SER 78 N -1.84 0.21 -0.54 1.98 0.15 -1.01 -4.98 113.70 107.66 2d9i s SER 78 Ca -0.10 -0.49 -0.20 0.00 0.70 0.00 0.00 55.95 55.86 2d9i s SER 78 Cb -0.05 0.16 0.07 0.00 -1.71 0.00 0.00 66.02 64.48 2d9i s SER 78 CO -0.03 -0.38 0.72 -0.70 1.20 0.00 0.00 173.24 174.04 2d9i s GLU 79 N -1.89 3.14 -0.23 5.44 2.12 -1.26 -2.56 118.70 123.46 2d9i s GLU 79 Ca -0.12 -0.88 0.07 0.00 0.36 0.00 0.00 54.97 54.40 2d9i s GLU 79 Cb -0.06 -4.14 -0.19 0.00 0.26 0.00 0.00 34.13 30.01 2d9i s GLU 79 CO -0.02 -1.37 -0.12 0.44 -0.54 0.00 0.00 175.26 173.64 2d9i n ILE 80 N 5.71 1.37 -4.26 -3.70 -5.35 -1.26 -5.00 119.36 106.88 2d9i n ILE 80 Ca -0.06 -0.63 -0.26 0.00 -0.27 0.00 0.00 62.75 61.53 2d9i n ILE 80 Cb 0.45 -1.07 -0.09 0.00 -1.74 0.00 0.00 39.64 37.19 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 -2.48 2.20 -1.17 6.28 1.02 -1.26 -5.04 119.74 119.29 2d9i s LYS 81 Ca -0.25 -1.22 -0.23 0.00 0.02 0.00 0.00 55.97 54.29 2d9i s LYS 81 Cb 0.08 -2.23 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 2d9i s LYS 81 CO 0.64 0.44 1.93 -0.35 -0.92 0.00 0.00 175.35 177.09 2d9i n PRO 82 N -0.10 1.60 0.00 -1.68 -0.04 -1.26 -2.27 135.00 131.25 2d9i n PRO 82 Ca -0.10 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 2d9i n PRO 82 Cb 0.56 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 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 5.73 1.88 3.29 0.55 0.00 -1.26 -4.73 105.19 110.66 2d9i n GLY 83 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.05 0.82 -0.38 0.00 1.43 0.11 -4.43 118.68 113.18 2d9i s LEU 85 Ca 0.17 -0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 52.22 2d9i s LEU 85 Cb -0.01 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.79 2d9i s LEU 85 CO 0.04 -0.34 0.84 -0.75 0.23 0.00 0.00 176.35 176.37 2d9i s LYS 86 N 1.99 3.73 -0.10 1.70 2.20 -1.06 -2.52 119.74 125.67 2d9i s LYS 86 Ca 0.02 0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.95 2d9i s LYS 86 Cb -0.17 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 2d9i s LYS 86 CO -0.12 -0.93 -0.05 0.08 -0.36 0.00 0.00 175.35 173.97 2d9i s VAL 87 N 3.28 3.84 -0.26 4.02 1.01 -0.90 -2.40 120.40 128.99 2d9i s VAL 87 Ca 0.34 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2d9i s VAL 87 Cb -0.12 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2d9i s VAL 87 CO 0.19 0.56 0.55 -0.04 0.00 0.00 0.00 175.10 176.36 2d9i s MET 88 N -0.39 4.08 0.13 2.72 1.00 -0.96 0.19 119.30 126.07 2d9i s MET 88 Ca 0.06 0.40 -0.30 0.00 0.00 0.00 0.00 55.69 55.85 2d9i s MET 88 Cb -0.12 -3.65 -0.07 0.00 0.00 0.00 0.00 34.83 30.99 2d9i s MET 88 CO 0.02 -0.37 1.16 -0.51 0.00 0.00 0.00 175.02 175.32 2d9i s LEU 89 N 2.38 4.43 0.04 -0.03 1.43 0.22 -4.68 118.68 122.48 2d9i s LEU 89 Ca 0.23 2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 55.16 2d9i s LEU 89 Cb -0.16 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 2d9i s LEU 89 CO 0.09 -0.36 0.78 -0.54 0.23 0.00 0.00 176.35 176.55 2d9i s LYS 90 N 0.26 4.51 -0.14 1.70 3.01 -1.26 -4.80 119.74 123.01 2d9i s LYS 90 Ca 0.54 1.09 -0.07 0.00 -1.01 0.00 0.00 55.97 56.52 2d9i s LYS 90 Cb -0.30 -3.37 0.05 0.00 -1.01 0.00 0.00 37.83 33.21 2d9i s LYS 90 CO 0.33 0.26 0.33 -1.54 0.51 0.00 0.00 175.35 175.24 2d9i s SER 91 N 0.00 -0.35 0.00 2.83 1.04 -1.26 -5.09 113.70 110.87 2d9i s SER 91 Ca 0.39 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2d9i s SER 91 Cb -0.21 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2d9i s SER 91 CO 0.23 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2d9i n GLY 92 N 4.33 -0.12 3.56 7.32 0.00 -1.26 -4.83 105.19 114.18 2d9i n GLY 92 Ca -0.23 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 2.57 0.09 1.61 0.04 -1.26 -4.94 135.00 133.10 2d9i s PRO 93 Ca 0.00 -0.14 0.09 0.00 0.04 0.00 0.00 61.00 61.00 2d9i s PRO 93 Cb 0.00 -4.95 -0.03 0.00 0.04 0.00 0.00 34.50 29.56 2d9i s PRO 93 CO 0.00 -3.27 -0.24 -1.12 0.04 0.00 0.00 177.00 172.41 2d9i s SER 94 N 8.05 2.93 -0.07 6.66 0.01 -1.26 -5.05 113.70 124.96 2d9i s SER 94 Ca 0.70 -0.66 -0.22 0.00 1.31 0.00 0.00 55.95 57.08 2d9i s SER 94 Cb -0.08 -0.21 -0.30 0.00 0.21 0.00 0.00 66.02 65.65 2d9i s SER 94 CO 0.03 0.16 0.81 0.28 0.41 0.00 0.00 173.24 174.93 2d9i h SER 95 N 4.30 0.37 0.00 2.44 0.02 -1.92 -3.54 113.55 115.23 2d9i h SER 95 Ca -0.47 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 59.54 2d9i h SER 95 Cb 1.16 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2d9i h SER 95 CO 0.41 1.36 0.00 0.61 -1.14 0.00 0.00 176.83 178.07