#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 6.16 0.77 1.61 1.04 -1.26 -5.06 113.70 116.96 2d9i s SER 2 Ca 0.00 -0.95 -0.14 0.00 0.48 0.00 0.00 55.95 55.34 2d9i s SER 2 Cb 0.00 -2.20 0.06 0.00 0.10 0.00 0.00 66.02 63.99 2d9i s SER 2 CO 0.00 -0.58 1.19 -0.44 0.98 0.00 0.00 173.24 174.38 2d9i s SER 3 N 2.06 3.93 -0.75 7.02 0.01 -1.26 -3.64 113.70 121.08 2d9i s SER 3 Ca 0.08 2.29 -0.14 0.00 1.31 0.00 0.00 55.95 59.49 2d9i s SER 3 Cb -0.20 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.47 2d9i s SER 3 CO 0.10 -2.43 0.46 0.61 0.41 0.00 0.00 173.24 172.39 2d9i n GLY 4 N 0.27 -0.76 3.78 3.44 0.00 -1.26 -4.85 105.19 105.80 2d9i n GLY 4 Ca 0.13 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 2d9i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9i s SER 5 N -3.38 6.83 -0.22 1.61 1.04 -1.24 -5.06 113.70 113.28 2d9i s SER 5 Ca 0.20 2.06 -0.16 0.00 0.48 0.00 0.00 55.95 58.52 2d9i s SER 5 Cb -0.11 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.49 2d9i s SER 5 CO 0.68 -0.44 0.57 -0.94 0.98 0.00 0.00 173.24 174.09 2d9i s SER 6 N -1.49 -0.69 0.51 7.02 1.04 -1.26 -5.18 113.70 113.66 2d9i s SER 6 Ca 0.56 1.20 0.08 0.00 0.48 0.00 0.00 55.95 58.28 2d9i s SER 6 Cb -0.23 1.14 0.04 0.00 0.10 0.00 0.00 66.02 67.07 2d9i s SER 6 CO 0.29 -0.21 0.60 -0.83 0.98 0.00 0.00 173.24 174.07 2d9i s GLY 7 N 1.01 1.97 0.02 7.32 0.00 -1.26 -5.14 107.32 111.23 2d9i s GLY 7 Ca -0.06 -1.84 -0.10 0.00 0.00 0.00 0.00 44.72 42.73 2d9i s GLY 7 CO -0.09 -1.69 0.19 1.62 0.00 0.00 0.00 173.10 173.13 2d9i s GLN 8 N -4.44 0.62 -0.14 2.90 2.00 -1.26 -5.06 119.66 114.27 2d9i s GLN 8 Ca 0.53 -0.47 0.04 0.00 -2.00 0.00 0.00 55.36 53.46 2d9i s GLN 8 Cb -0.06 0.26 -0.23 0.00 0.80 0.00 0.00 33.01 33.78 2d9i s GLN 8 CO 0.32 -0.17 0.26 0.09 -0.50 0.00 0.00 175.29 175.30 2d9i n ASN 9 N 1.05 1.41 -4.57 6.67 4.13 -1.26 -4.83 115.26 117.85 2d9i n ASN 9 Ca -0.21 0.15 -0.42 0.00 1.68 0.00 0.00 54.58 55.78 2d9i n ASN 9 Cb 0.57 -0.24 -0.06 0.00 -1.54 0.00 0.00 39.78 38.51 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d9i s VAL 10 N -2.55 4.79 -0.45 2.41 0.11 -1.26 -3.08 120.40 120.38 2d9i s VAL 10 Ca -0.18 0.71 -0.21 0.00 -2.93 0.00 0.00 61.98 59.37 2d9i s VAL 10 Cb 0.07 -4.17 0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2d9i s VAL 10 CO 0.76 -0.42 0.64 -0.22 -3.33 0.00 0.00 175.10 172.53 2d9i s LEU 11 N 2.96 4.55 -0.42 2.54 2.96 -0.63 -4.96 118.68 125.67 2d9i s LEU 11 Ca 0.28 -0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 2d9i s LEU 11 Cb -0.14 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 2d9i s LEU 11 CO 0.17 -0.80 1.64 1.51 -1.32 0.00 0.00 176.35 177.54 2d9i s ASP 12 N 2.09 5.98 -0.03 3.68 -4.77 -1.26 -2.99 116.67 119.37 2d9i s ASP 12 Ca 0.22 0.90 0.16 0.00 -3.30 0.00 0.00 52.55 50.53 2d9i s ASP 12 Cb -0.15 -2.53 -0.20 0.00 -1.09 0.00 0.00 42.92 38.95 2d9i s ASP 12 CO 0.18 -1.71 0.60 0.18 0.70 0.00 0.00 175.17 175.12 2d9i n LEU 13 N 10.05 0.64 -4.67 2.11 4.77 -0.06 -4.91 117.00 124.92 2d9i n LEU 13 Ca 0.19 0.29 -0.47 0.00 -0.03 0.00 0.00 56.01 55.99 2d9i n LEU 13 Cb 0.48 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2d9i n LEU 13 CO 0.70 0.28 1.33 1.57 -1.33 0.00 0.00 177.39 179.94 2d9i n HIS 14 N -2.87 2.29 0.00 -1.77 -0.00 -1.04 -2.06 115.22 109.76 2d9i n HIS 14 Ca -0.16 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2d9i n HIS 14 Cb 0.95 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 28.23 2d9i n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d9i n GLY 15 N 3.87 1.86 3.94 1.57 0.00 -1.26 -5.08 105.19 110.10 2d9i n GLY 15 Ca 0.20 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 2.77 -0.00 0.99 1.43 -0.88 -5.07 118.68 117.92 2d9i s LEU 16 Ca 0.00 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2d9i s LEU 16 Cb 0.00 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2d9i s LEU 16 CO 0.00 -2.58 0.27 -2.28 0.23 0.00 0.00 176.35 171.99 2d9i s HIS 17 N -3.75 3.59 0.06 0.29 5.65 -1.26 -4.83 115.29 115.04 2d9i s HIS 17 Ca 0.73 0.60 -0.13 0.00 0.25 0.00 0.00 55.06 56.51 2d9i s HIS 17 Cb -0.04 -2.01 -0.03 0.00 -1.18 0.00 0.00 32.58 29.32 2d9i s HIS 17 CO 0.51 0.62 0.95 0.28 -0.65 0.00 0.00 174.74 176.46 2d9i n VAL 18 N 1.23 -0.28 -0.34 0.89 0.31 -1.26 0.19 118.33 119.07 2d9i n VAL 18 Ca -0.12 1.47 0.22 0.00 -0.01 0.00 0.00 64.34 65.90 2d9i n VAL 18 Cb 0.53 -1.87 0.44 0.00 -0.91 0.00 0.00 33.84 32.03 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 0.54 0.16 4.52 3.32 -1.95 -1.40 116.42 121.61 2d9i h ASP 19 Ca 0.06 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2d9i h ASP 19 Cb 0.17 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2d9i h ASP 19 CO -0.38 -0.07 -0.08 -0.33 -1.72 0.00 0.00 179.24 176.66 2d9i h GLU 20 N 0.39 -0.21 -1.08 3.56 3.07 0.16 -3.10 114.58 117.38 2d9i h GLU 20 Ca 0.70 0.01 0.38 0.00 -0.50 0.00 0.00 59.36 59.96 2d9i h GLU 20 Cb 1.52 0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 29.36 2d9i h GLU 20 CO -0.57 -0.14 0.68 0.00 -1.40 0.00 0.00 179.01 177.58 2d9i n ALA 21 N -2.29 1.07 0.35 3.43 0.00 0.11 0.47 120.51 123.64 2d9i n ALA 21 Ca -0.03 0.73 -0.16 0.00 0.00 0.00 0.00 53.44 53.98 2d9i n ALA 21 Cb 0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 2d9i n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d9i h LEU 22 N 0.00 -0.77 -0.76 0.00 3.38 -1.31 -2.01 115.31 113.84 2d9i h LEU 22 Ca 0.71 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.85 2d9i h LEU 22 Cb 2.24 0.20 -0.12 0.00 0.09 0.00 0.00 40.66 43.07 2d9i h LEU 22 CO -0.42 -0.41 0.17 1.05 0.09 0.00 0.00 178.44 178.92 2d9i h GLU 23 N -1.14 0.24 -0.29 1.13 4.11 0.09 0.02 114.58 118.75 2d9i h GLU 23 Ca -0.09 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.34 2d9i h GLU 23 Cb 0.72 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2d9i h GLU 23 CO 0.15 0.16 0.15 0.45 0.07 0.00 0.00 179.01 179.99 2d9i h HIS 24 N 0.25 0.27 -1.01 2.06 3.86 -1.35 -0.51 115.15 118.72 2d9i h HIS 24 Ca 0.44 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.74 2d9i h HIS 24 Cb 0.77 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 29.09 2d9i h HIS 24 CO -0.28 0.15 0.65 1.25 0.86 0.00 0.00 177.93 180.56 2d9i h LEU 25 N 0.31 1.01 -0.23 2.43 5.85 -0.25 0.51 115.31 124.93 2d9i h LEU 25 Ca 0.12 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2d9i h LEU 25 Cb 0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2d9i h LEU 25 CO -0.08 0.60 -0.11 0.24 -0.34 0.00 0.00 178.44 178.76 2d9i h MET 26 N 1.12 0.47 0.43 1.25 2.86 -0.72 -2.43 114.93 117.91 2d9i h MET 26 Ca 0.46 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 2d9i h MET 26 Cb 0.28 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2d9i h MET 26 CO -0.21 0.74 -0.20 0.00 1.06 0.00 0.00 176.91 178.30 2d9i h ARG 27 N 0.18 -0.55 -1.01 1.72 2.47 -0.46 -3.06 114.38 113.67 2d9i h ARG 27 Ca 0.05 0.04 0.29 0.00 -1.26 0.00 0.00 59.98 59.10 2d9i h ARG 27 Cb 0.60 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.01 2d9i h ARG 27 CO 0.03 -0.37 0.87 -0.39 0.56 0.00 0.00 179.97 180.68 2d9i h VAL 28 N -0.89 0.27 -0.19 2.04 -1.51 -0.13 1.05 116.25 116.88 2d9i h VAL 28 Ca -0.06 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.28 2d9i h VAL 28 Cb 0.44 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 2d9i h VAL 28 CO 0.10 0.00 -0.43 -0.07 -1.23 0.00 0.00 177.57 175.94 2d9i h LEU 29 N 0.00 0.49 0.00 4.19 3.38 -1.36 0.45 115.31 122.46 2d9i h LEU 29 Ca 0.48 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 2d9i h LEU 29 Cb 2.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 2d9i h LEU 29 CO -0.01 0.86 -1.60 -0.62 0.09 0.00 0.00 178.44 177.16 2d9i n GLU 30 N -4.01 0.64 -0.04 1.13 1.02 0.32 -3.56 120.64 116.13 2d9i n GLU 30 Ca -0.02 0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 2d9i n GLU 30 Cb 0.52 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.00 0.12 -0.77 3.49 3.64 -0.18 -3.32 116.57 119.54 2d9i h LYS 31 Ca -0.15 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 2d9i h LYS 31 Cb 1.45 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.31 2d9i h LYS 31 CO 0.03 1.10 0.43 0.87 -2.27 0.00 0.00 179.45 179.60 2d9i h LYS 32 N -0.67 1.08 -0.14 1.90 1.79 -0.29 -1.82 116.57 118.41 2d9i h LYS 32 Ca -0.22 -0.13 0.04 0.00 -2.18 0.00 0.00 60.65 58.16 2d9i h LYS 32 Cb 1.43 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2d9i h LYS 32 CO -0.02 0.80 0.14 0.00 -1.08 0.00 0.00 179.45 179.29 2d9i h THR 33 N 1.07 0.57 0.09 -0.16 1.03 -1.70 -2.57 112.91 111.24 2d9i h THR 33 Ca 0.27 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.67 2d9i h THR 33 Cb 0.03 0.89 -0.00 0.00 -1.07 0.00 0.00 68.15 68.00 2d9i h THR 33 CO -0.04 0.00 -0.08 -0.33 -0.01 0.00 0.00 175.52 175.06 2d9i h GLU 34 N 0.00 -0.16 -0.32 0.00 5.08 -1.42 -1.79 114.58 115.96 2d9i h GLU 34 Ca 0.07 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2d9i h GLU 34 Cb 0.35 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2d9i h GLU 34 CO -0.00 -0.11 0.22 0.93 -1.00 0.00 0.00 179.01 179.05 2d9i h GLU 35 N -0.17 0.23 -0.87 2.33 4.39 -1.64 0.28 114.58 119.13 2d9i h GLU 35 Ca -0.01 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.75 2d9i h GLU 35 Cb 0.14 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 2d9i h GLU 35 CO -0.01 0.15 0.53 0.35 -1.16 0.00 0.00 179.01 178.87 2d9i h PHE 36 N 0.23 0.97 0.00 4.33 3.57 -1.14 0.33 116.94 125.23 2d9i h PHE 36 Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2d9i h PHE 36 Cb 0.26 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2d9i h PHE 36 CO -0.00 0.45 -0.71 1.63 -2.23 0.00 0.00 178.31 177.45 2d9i n LYS 37 N -4.65 0.48 -0.14 1.11 5.02 -0.66 -2.15 118.16 117.16 2d9i n LYS 37 Ca 0.14 0.44 -0.10 0.00 -2.02 0.00 0.00 58.31 56.77 2d9i n LYS 37 Cb 0.23 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 2d9i n LYS 37 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2d9i h GLN 38 N -1.00 -0.29 0.00 1.97 4.15 -0.57 -3.31 115.11 116.06 2d9i h GLN 38 Ca -0.03 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2d9i h GLN 38 Cb 0.70 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2d9i h GLN 38 CO -0.02 -0.20 -0.10 -0.97 -1.93 0.00 0.00 178.83 175.62 2d9i h ASN 39 N -0.30 0.00 0.00 -0.69 -1.24 -1.15 -3.50 115.58 108.69 2d9i h ASN 39 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2d9i h ASN 39 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 2d9i h ASN 39 CO -0.60 0.21 0.00 0.61 -1.29 0.00 0.00 177.43 176.36 2d9i n GLY 40 N 1.79 2.57 0.00 1.57 0.00 0.97 -5.00 105.19 107.08 2d9i n GLY 40 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2d9i n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 41 N 0.00 4.38 3.78 -0.02 0.00 -0.91 -4.93 105.19 107.49 2d9i n GLY 41 Ca 0.00 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 0.01 4.14 0.21 1.61 1.02 -1.26 -4.89 119.74 120.59 2d9i s LYS 42 Ca 0.00 2.52 0.22 0.00 0.02 0.00 0.00 55.97 58.73 2d9i s LYS 42 Cb 0.00 -2.99 0.92 0.00 -0.52 0.00 0.00 37.83 35.24 2d9i s LYS 42 CO 0.00 -0.50 1.67 -0.35 -0.92 0.00 0.00 175.35 175.25 2d9i n PRO 43 N 0.66 0.16 -4.09 -1.68 -0.04 -1.26 -4.77 135.00 123.98 2d9i n PRO 43 Ca 0.01 0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 63.60 2d9i n PRO 43 Cb 0.39 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.01 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 -3.26 1.97 -0.02 0.54 -0.85 -1.26 -0.15 117.35 114.31 2d9i s TYR 44 Ca 0.05 -0.78 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2d9i s TYR 44 Cb 0.09 -1.88 0.02 0.00 0.38 0.00 0.00 41.96 40.57 2d9i s TYR 44 CO 0.37 -0.16 0.00 -1.17 -1.52 0.00 0.00 175.55 173.06 2d9i s LEU 45 N -4.11 1.40 0.20 -3.49 2.96 -0.81 -4.81 118.68 110.01 2d9i s LEU 45 Ca 0.31 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.92 2d9i s LEU 45 Cb -0.00 -0.15 -0.08 0.00 0.50 0.00 0.00 46.19 46.46 2d9i s LEU 45 CO 0.18 -0.07 0.90 -0.44 -1.32 0.00 0.00 176.35 175.61 2d9i s SER 46 N 0.71 7.56 -0.04 3.68 0.01 -1.18 -2.53 113.70 121.91 2d9i s SER 46 Ca -0.07 1.85 -0.01 0.00 1.31 0.00 0.00 55.95 59.03 2d9i s SER 46 Cb -0.10 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.58 2d9i s SER 46 CO -0.02 0.13 0.04 -0.69 0.41 0.00 0.00 173.24 173.12 2d9i s VAL 47 N -0.95 -0.02 -0.30 3.43 1.01 -0.73 -1.61 120.40 121.23 2d9i s VAL 47 Ca 0.41 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 2d9i s VAL 47 Cb -0.25 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 35.96 2d9i s VAL 47 CO 0.30 0.17 0.04 -0.63 0.00 0.00 0.00 175.10 174.99 2d9i s ILE 48 N 1.88 3.54 -0.20 2.22 1.01 -1.16 0.14 121.20 128.62 2d9i s ILE 48 Ca 0.02 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 2d9i s ILE 48 Cb -0.12 -2.90 -0.20 0.00 0.01 0.00 0.00 42.46 39.25 2d9i s ILE 48 CO -0.03 0.01 0.20 0.35 0.00 0.00 0.00 174.94 175.46 2d9i n THR 49 N 4.77 1.57 0.00 2.92 -2.24 -1.25 -0.88 114.28 119.17 2d9i n THR 49 Ca -0.14 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2d9i n THR 49 Cb 0.46 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 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 -1.54 3.70 3.38 0.00 -1.26 -3.11 105.19 107.86 2d9i n GLY 50 Ca -0.33 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.09 0.00 1.61 1.81 -1.26 -4.56 118.95 118.64 2d9i s ARG 51 Ca 0.00 -2.16 0.00 0.00 -1.72 0.00 0.00 55.73 51.85 2d9i s ARG 51 Cb 0.00 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.82 2d9i s ARG 51 CO 0.00 -0.19 0.00 0.41 -0.68 0.00 0.00 175.30 174.84 2d9i n GLY 52 N -1.15 -0.08 3.55 -3.53 0.00 0.13 -4.75 105.19 99.35 2d9i n GLY 52 Ca -0.09 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2d9i n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s ASN 53 N -3.67 1.55 -0.43 1.61 2.20 -1.26 -4.83 114.94 110.11 2d9i s ASN 53 Ca 0.00 1.68 -0.27 0.00 -0.94 0.00 0.00 52.86 53.33 2d9i s ASN 53 Cb 0.00 -2.36 -0.04 0.00 -2.00 0.00 0.00 41.25 36.84 2d9i s ASN 53 CO 0.00 -3.87 2.13 -1.38 -2.94 0.00 0.00 177.10 171.04 2d9i s HIS 54 N -2.53 1.36 0.66 1.54 0.00 -1.26 -4.96 115.29 110.10 2d9i s HIS 54 Ca 0.68 1.01 -0.11 0.00 -3.00 0.00 0.00 55.06 53.64 2d9i s HIS 54 Cb -0.24 -3.87 -0.01 0.00 -4.00 0.00 0.00 32.58 24.46 2d9i s HIS 54 CO 0.63 -2.88 1.04 -1.54 -1.00 0.00 0.00 174.74 170.99 2d9i s SER 55 N 9.35 5.77 -0.21 7.38 1.04 -1.26 -5.03 113.70 130.73 2d9i s SER 55 Ca 0.88 1.19 -0.16 0.00 0.48 0.00 0.00 55.95 58.33 2d9i s SER 55 Cb -0.20 -2.11 -0.12 0.00 0.10 0.00 0.00 66.02 63.68 2d9i s SER 55 CO 0.28 -1.12 -0.10 0.00 0.98 0.00 0.00 173.24 173.28 2d9i n GLN 56 N -2.85 0.54 -3.80 4.02 3.00 -1.26 -4.91 117.38 112.13 2d9i n GLN 56 Ca 0.06 0.43 -0.29 0.00 -0.01 0.00 0.00 57.00 57.20 2d9i n GLN 56 Cb 0.56 -1.62 -0.16 0.00 0.00 0.00 0.00 30.24 29.01 2d9i n GLN 56 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2d9i s GLY 57 N -4.92 0.91 0.00 1.08 0.00 -1.26 -5.03 107.32 98.11 2d9i s GLY 57 Ca -0.29 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2d9i s GLY 57 CO 0.47 1.28 0.00 0.61 0.00 0.00 0.00 173.10 175.45 2d9i n GLY 58 N 4.92 2.34 3.91 0.20 0.00 -1.26 -5.15 105.19 110.15 2d9i n GLY 58 Ca -0.09 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 2.63 -0.06 1.61 -7.23 -1.26 -4.86 120.40 111.23 2d9i s VAL 59 Ca 0.00 -1.27 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2d9i s VAL 59 Cb 0.00 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 2d9i s VAL 59 CO 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 175.10 174.60 2d9i s ALA 60 N -2.48 2.42 -0.68 1.32 0.00 -1.26 -5.00 121.76 116.08 2d9i s ALA 60 Ca 0.49 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.51 2d9i s ALA 60 Cb -0.05 -0.84 0.13 0.00 0.00 0.00 0.00 23.12 22.36 2d9i s ALA 60 CO 0.29 0.47 0.97 0.54 0.00 0.00 0.00 175.76 178.02 2d9i n ARG 61 N 2.69 1.65 -0.01 0.00 1.74 -1.26 -4.62 116.66 116.86 2d9i n ARG 61 Ca -0.17 -1.44 -0.00 0.00 -0.77 0.00 0.00 57.85 55.47 2d9i n ARG 61 Cb 0.52 -1.15 -0.00 0.00 -1.02 0.00 0.00 32.46 30.81 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 1.26 0.00 -0.72 0.55 2.04 -1.94 -3.27 117.51 115.43 2d9i h ILE 62 Ca 0.00 -0.10 0.15 0.00 1.00 0.00 0.00 64.86 65.91 2d9i h ILE 62 Cb 0.49 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.43 2d9i h ILE 62 CO 0.00 0.00 -0.13 0.50 0.00 0.00 0.00 178.15 178.52 2d9i h LYS 63 N -0.10 0.02 -0.42 2.37 3.64 -1.91 -1.19 116.57 118.99 2d9i h LYS 63 Ca 0.00 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2d9i h LYS 63 Cb 0.02 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 2d9i h LYS 63 CO 0.00 0.01 -0.33 -1.35 -2.27 0.00 0.00 179.45 175.52 2d9i h PRO 64 N 0.02 -0.23 -0.01 1.90 0.11 -1.82 0.53 132.00 132.50 2d9i h PRO 64 Ca 0.36 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2d9i h PRO 64 Cb 0.57 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 2d9i h PRO 64 CO -0.72 -0.16 0.00 0.00 -0.21 0.00 0.00 178.00 176.92 2d9i h ALA 65 N 0.78 0.01 -0.32 -0.75 0.00 -1.31 -2.84 119.26 114.82 2d9i h ALA 65 Ca 0.18 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2d9i h ALA 65 Cb 0.54 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2d9i h ALA 65 CO -0.55 -0.49 -0.16 0.28 0.00 0.00 0.00 179.25 178.33 2d9i h VAL 66 N -0.00 0.52 -0.96 0.00 2.07 -0.61 0.03 116.25 117.31 2d9i h VAL 66 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 2d9i h VAL 66 Cb 0.01 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 2d9i h VAL 66 CO -0.00 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.61 2d9i h ILE 67 N -0.11 0.66 -0.20 4.57 2.04 -0.76 0.29 117.51 123.99 2d9i h ILE 67 Ca 0.17 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 2d9i h ILE 67 Cb 0.36 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2d9i h ILE 67 CO -0.39 0.09 -0.63 0.50 0.00 0.00 0.00 178.15 177.72 2d9i h LYS 68 N 0.49 0.71 -0.22 2.37 3.64 -0.81 -2.83 116.57 119.92 2d9i h LYS 68 Ca 0.52 -0.50 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 2d9i h LYS 68 Cb 1.17 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2d9i h LYS 68 CO -0.24 1.12 -0.53 -0.92 -2.27 0.00 0.00 179.45 176.61 2d9i h TYR 69 N 0.53 0.80 0.54 1.91 5.03 0.37 -2.93 116.97 123.21 2d9i h TYR 69 Ca -0.01 -0.28 -0.03 0.00 2.58 0.00 0.00 58.73 61.00 2d9i h TYR 69 Cb 1.22 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 39.35 2d9i h TYR 69 CO 0.06 1.03 -0.26 -0.07 -1.32 0.00 0.00 178.16 177.61 2d9i h LEU 70 N 0.50 -0.61 -0.92 2.82 3.38 -0.56 -2.70 115.31 117.22 2d9i h LEU 70 Ca 0.02 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.26 2d9i h LEU 70 Cb 1.08 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2d9i h LEU 70 CO 0.10 -0.42 0.37 0.40 0.09 0.00 0.00 178.44 178.99 2d9i h ILE 71 N -0.76 0.37 -0.41 1.22 2.04 -1.60 0.16 117.51 118.53 2d9i h ILE 71 Ca -0.07 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2d9i h ILE 71 Cb 0.55 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2d9i h ILE 71 CO 0.12 0.06 -0.02 -1.28 0.00 0.00 0.00 178.15 177.03 2d9i h SER 72 N 0.31 -0.21 -0.10 1.72 0.87 -1.41 0.21 113.55 114.94 2d9i h SER 72 Ca 0.60 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.26 2d9i h SER 72 Cb 1.23 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2d9i h SER 72 CO -0.60 -0.06 0.00 1.41 -0.53 0.00 0.00 176.83 177.05 2d9i n HIS 73 N -5.22 0.14 -3.19 2.24 8.25 0.36 -4.88 115.22 112.91 2d9i n HIS 73 Ca 0.03 -0.07 -0.17 0.00 -0.26 0.00 0.00 57.72 57.25 2d9i n HIS 73 Cb 0.22 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.20 -5.12 -4.70 0.41 7.64 0.74 -4.98 113.62 107.42 2d9i n SER 74 Ca 0.11 -0.35 -0.40 0.00 1.01 0.00 0.00 58.87 59.24 2d9i n SER 74 Cb 0.16 -3.77 -0.04 0.00 -1.01 0.00 0.00 64.21 59.55 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 -3.18 3.54 0.17 1.43 0.08 -0.01 -4.96 117.98 115.04 2d9i s PHE 75 Ca 0.38 1.30 -0.19 0.00 0.12 0.00 0.00 56.93 58.54 2d9i s PHE 75 Cb -0.17 -2.90 -0.08 0.00 -0.57 0.00 0.00 43.02 39.30 2d9i s PHE 75 CO 0.47 -0.03 0.66 0.50 -0.10 0.00 0.00 175.22 176.72 2d9i s ARG 76 N 1.25 4.21 0.10 0.44 3.00 -1.26 -4.32 118.95 122.37 2d9i s ARG 76 Ca 0.39 0.78 -0.25 0.00 -1.00 0.00 0.00 55.73 55.66 2d9i s ARG 76 Cb -0.18 -3.01 0.08 0.00 0.00 0.00 0.00 34.95 31.84 2d9i s ARG 76 CO 0.18 0.49 0.69 -0.59 0.00 0.00 0.00 175.30 176.06 2d9i s PHE 77 N -1.38 -0.49 -0.13 5.12 -0.71 -1.26 -2.28 117.98 116.85 2d9i s PHE 77 Ca 0.38 0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 56.55 2d9i s PHE 77 Cb -0.18 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.25 2d9i s PHE 77 CO 0.21 -0.75 0.26 0.45 -1.34 0.00 0.00 175.22 174.04 2d9i s SER 78 N -2.61 0.45 -0.45 1.98 0.15 -0.79 -5.02 113.70 107.42 2d9i s SER 78 Ca 0.02 0.51 -0.27 0.00 0.70 0.00 0.00 55.95 56.91 2d9i s SER 78 Cb -0.01 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2d9i s SER 78 CO -0.11 -0.25 2.04 -0.70 1.20 0.00 0.00 173.24 175.43 2d9i s GLU 79 N 2.41 2.74 -0.02 5.44 -6.30 -1.26 -3.74 118.70 117.97 2d9i s GLU 79 Ca 0.02 1.24 0.22 0.00 -2.50 0.00 0.00 54.97 53.95 2d9i s GLU 79 Cb -0.12 -4.39 -0.29 0.00 0.00 0.00 0.00 34.13 29.33 2d9i s GLU 79 CO -0.09 -2.56 0.51 0.44 0.02 0.00 0.00 175.26 173.58 2d9i n ILE 80 N 7.56 0.22 -4.09 -3.70 -5.35 -1.26 -4.97 119.36 107.77 2d9i n ILE 80 Ca 0.27 -0.54 -0.12 0.00 -0.27 0.00 0.00 62.75 62.08 2d9i n ILE 80 Cb 0.50 -0.10 -0.11 0.00 -1.74 0.00 0.00 39.64 38.20 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 -3.39 0.61 0.00 6.28 -0.14 -1.26 -5.02 119.74 116.82 2d9i s LYS 81 Ca -0.07 -0.93 0.10 0.00 -1.36 0.00 0.00 55.97 53.71 2d9i s LYS 81 Cb 0.13 -0.25 0.59 0.00 -1.68 0.00 0.00 37.83 36.62 2d9i s LYS 81 CO 0.89 0.03 1.03 -0.35 -0.76 0.00 0.00 175.35 176.19 2d9i n PRO 82 N 1.01 0.49 -0.45 -1.68 -0.04 -1.26 -2.76 135.00 130.31 2d9i n PRO 82 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2d9i n PRO 82 Cb 0.57 -1.32 0.00 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 0.62 3.11 0.55 0.00 -1.26 -0.69 105.19 107.50 2d9i n GLY 83 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.66 0.38 -0.37 0.00 1.43 0.36 -4.14 118.68 113.68 2d9i s LEU 85 Ca 0.05 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 2d9i s LEU 85 Cb 0.03 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.99 2d9i s LEU 85 CO -0.05 -0.31 0.62 -0.54 0.23 0.00 0.00 176.35 176.29 2d9i s LYS 86 N 2.11 3.62 -0.20 1.70 1.02 -1.25 -1.78 119.74 124.96 2d9i s LYS 86 Ca 0.03 -0.03 -0.00 0.00 0.02 0.00 0.00 55.97 55.98 2d9i s LYS 86 Cb -0.15 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.35 2d9i s LYS 86 CO -0.07 -0.76 -0.15 0.08 -0.92 0.00 0.00 175.35 173.53 2d9i s VAL 87 N 2.68 2.45 0.06 3.17 1.01 -1.05 -1.89 120.40 126.84 2d9i s VAL 87 Ca 0.23 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2d9i s VAL 87 Cb -0.15 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 2d9i s VAL 87 CO 0.15 0.46 1.65 -0.04 0.00 0.00 0.00 175.10 177.32 2d9i s MET 88 N 1.33 4.20 0.09 2.72 1.00 -0.96 -1.93 119.30 125.75 2d9i s MET 88 Ca 0.04 2.32 -0.30 0.00 0.00 0.00 0.00 55.69 57.75 2d9i s MET 88 Cb -0.14 -3.62 -0.05 0.00 0.00 0.00 0.00 34.83 31.02 2d9i s MET 88 CO -0.10 -0.73 1.00 -0.51 0.00 0.00 0.00 175.02 174.67 2d9i s LEU 89 N 2.70 4.46 0.56 -0.03 1.43 0.79 -4.65 118.68 123.94 2d9i s LEU 89 Ca 0.74 1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 2d9i s LEU 89 Cb -0.39 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 2d9i s LEU 89 CO 0.32 -0.15 1.18 -0.54 0.23 0.00 0.00 176.35 177.39 2d9i s LYS 90 N 0.24 3.21 0.18 1.70 1.02 -1.26 -4.89 119.74 119.93 2d9i s LYS 90 Ca 0.49 1.75 0.05 0.00 0.02 0.00 0.00 55.97 58.28 2d9i s LYS 90 Cb -0.24 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2d9i s LYS 90 CO 0.30 -1.00 -0.10 -1.12 -0.92 0.00 0.00 175.35 172.51 2d9i s SER 91 N -1.62 2.04 0.55 2.83 0.01 -1.26 -5.05 113.70 111.20 2d9i s SER 91 Ca 0.74 -1.05 -0.19 0.00 1.31 0.00 0.00 55.95 56.76 2d9i s SER 91 Cb -0.28 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 2d9i s SER 91 CO 0.31 -0.32 1.09 -0.83 0.41 0.00 0.00 173.24 173.91 2d9i s GLY 92 N -3.24 2.47 0.00 3.44 0.00 -1.26 -4.91 107.32 103.82 2d9i s GLY 92 Ca 0.20 0.67 0.15 0.00 0.00 0.00 0.00 44.72 45.74 2d9i s GLY 92 CO 0.04 1.01 1.41 -1.55 0.00 0.00 0.00 173.10 174.01 2d9i n PRO 93 N -1.43 0.20 -1.66 2.90 -0.04 -1.26 -4.83 135.00 128.87 2d9i n PRO 93 Ca 0.10 0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 2d9i n PRO 93 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.30 2.23 -3.91 3.54 2.88 -1.26 -5.00 113.62 110.80 2d9i n SER 94 Ca 0.07 1.20 -0.20 0.00 -1.33 0.00 0.00 58.87 58.61 2d9i n SER 94 Cb 0.12 -1.41 -0.16 0.00 -0.75 0.00 0.00 64.21 62.01 2d9i n SER 94 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d9i s SER 95 N -0.38 0.93 0.00 -3.46 1.04 -1.26 -5.21 113.70 105.36 2d9i s SER 95 Ca 0.57 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2d9i s SER 95 Cb -0.62 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.08 2d9i s SER 95 CO 0.61 -0.03 0.17 0.61 0.98 0.00 0.00 173.24 175.58