#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 0.24 0.60 1.61 0.01 -1.26 -5.16 113.70 109.74 2d9i s SER 2 Ca 0.00 -0.53 -0.14 0.00 1.31 0.00 0.00 55.95 56.59 2d9i s SER 2 Cb 0.00 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 2d9i s SER 2 CO 0.00 -0.35 1.03 -0.55 0.41 0.00 0.00 173.24 173.78 2d9i s SER 3 N -1.66 6.05 0.00 2.44 0.15 -1.26 -4.88 113.70 114.54 2d9i s SER 3 Ca -0.13 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2d9i s SER 3 Cb -0.07 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2d9i s SER 3 CO -0.02 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2d9i n GLY 4 N -1.73 0.14 3.55 9.45 0.00 -1.26 -4.93 105.19 110.41 2d9i n GLY 4 Ca 0.07 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 2d9i n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d9i n SER 5 N -0.23 -6.17 -4.80 1.61 2.88 -1.26 -4.99 113.62 100.66 2d9i n SER 5 Ca 0.00 -0.53 -0.35 0.00 -1.33 0.00 0.00 58.87 56.66 2d9i n SER 5 Cb 0.00 -4.94 -0.07 0.00 -0.75 0.00 0.00 64.21 58.45 2d9i n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d9i s SER 6 N -3.35 5.90 -0.46 -3.46 0.01 -1.26 -5.03 113.70 106.05 2d9i s SER 6 Ca 0.56 0.29 0.06 0.00 1.31 0.00 0.00 55.95 58.17 2d9i s SER 6 Cb -0.25 -1.79 0.32 0.00 0.21 0.00 0.00 66.02 64.51 2d9i s SER 6 CO 0.71 0.36 1.11 0.61 0.41 0.00 0.00 173.24 176.44 2d9i n GLY 7 N 1.75 0.73 0.35 3.44 0.00 -1.26 -5.01 105.19 105.19 2d9i n GLY 7 Ca -0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 2d9i n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2d9i n GLN 8 N 0.35 -0.20 -3.76 1.61 3.00 -1.26 -4.78 117.38 112.34 2d9i n GLN 8 Ca 0.07 1.40 -0.28 0.00 -0.01 0.00 0.00 57.00 58.17 2d9i n GLN 8 Cb 0.70 -2.08 0.04 0.00 0.00 0.00 0.00 30.24 28.90 2d9i n GLN 8 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2d9i n ASN 9 N -5.35 -5.21 -3.80 1.08 3.02 -1.26 -4.91 115.26 98.82 2d9i n ASN 9 Ca 0.10 -0.67 -0.17 0.00 -0.03 0.00 0.00 54.58 53.81 2d9i n ASN 9 Cb 0.37 -4.15 -0.16 0.00 -0.61 0.00 0.00 39.78 35.23 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 -3.27 0.12 -0.36 2.41 0.11 -1.26 -1.92 120.40 116.22 2d9i s VAL 10 Ca 0.62 0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.69 2d9i s VAL 10 Cb -0.30 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2d9i s VAL 10 CO 0.76 0.14 0.19 -0.22 -3.33 0.00 0.00 175.10 172.64 2d9i s LEU 11 N 1.11 4.58 -0.50 2.54 2.96 -0.37 -5.01 118.68 123.99 2d9i s LEU 11 Ca -0.09 -0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 52.66 2d9i s LEU 11 Cb -0.13 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2d9i s LEU 11 CO -0.02 -0.34 1.35 1.51 -1.32 0.00 0.00 176.35 177.53 2d9i s ASP 12 N 1.57 6.30 -0.04 3.68 -4.77 -1.26 -2.42 116.67 119.73 2d9i s ASP 12 Ca 0.03 0.46 0.11 0.00 -3.30 0.00 0.00 52.55 49.85 2d9i s ASP 12 Cb -0.19 -2.55 -0.23 0.00 -1.09 0.00 0.00 42.92 38.87 2d9i s ASP 12 CO 0.07 -1.53 0.67 -0.07 0.70 0.00 0.00 175.17 175.00 2d9i h LEU 13 N 12.42 0.03 -9.27 2.11 3.38 -0.32 -3.47 115.31 120.19 2d9i h LEU 13 Ca -0.26 -0.07 -0.65 0.00 0.09 0.00 0.00 57.88 56.99 2d9i h LEU 13 Cb 1.09 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.85 2d9i h LEU 13 CO 1.14 1.06 0.98 1.57 0.09 0.00 0.00 178.44 183.28 2d9i n HIS 14 N -3.09 2.21 0.00 1.13 -0.00 -0.92 -1.73 115.22 112.82 2d9i n HIS 14 Ca -0.17 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2d9i n HIS 14 Cb 1.05 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 28.34 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 4.13 1.72 3.94 1.57 0.00 -1.26 -5.05 105.19 110.23 2d9i n GLY 15 Ca 0.23 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 2.75 0.12 0.99 1.43 -0.70 -5.07 118.68 118.19 2d9i s LEU 16 Ca 0.00 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 2d9i s LEU 16 Cb 0.00 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2d9i s LEU 16 CO 0.00 -2.54 0.42 -2.28 0.23 0.00 0.00 176.35 172.18 2d9i s HIS 17 N -3.75 3.54 0.25 0.29 5.65 -1.26 -4.86 115.29 115.15 2d9i s HIS 17 Ca 0.72 0.76 0.01 0.00 0.25 0.00 0.00 55.06 56.80 2d9i s HIS 17 Cb -0.04 -2.15 0.59 0.00 -1.18 0.00 0.00 32.58 29.80 2d9i s HIS 17 CO 0.51 0.46 1.26 0.28 -0.65 0.00 0.00 174.74 176.61 2d9i n VAL 18 N 0.59 -0.34 0.38 0.89 0.31 -1.26 -0.14 118.33 118.76 2d9i n VAL 18 Ca -0.06 1.78 -0.16 0.00 -0.01 0.00 0.00 64.34 65.89 2d9i n VAL 18 Cb 0.52 -2.59 -0.08 0.00 -0.91 0.00 0.00 33.84 30.78 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 -0.84 -0.26 4.52 1.82 -1.95 -2.75 116.42 116.97 2d9i h ASP 19 Ca 0.48 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 57.16 2d9i h ASP 19 Cb 0.97 0.22 -0.06 0.00 0.68 0.00 0.00 39.33 41.13 2d9i h ASP 19 CO -0.77 -0.49 -0.42 -0.33 -1.61 0.00 0.00 179.24 175.62 2d9i h GLU 20 N -1.18 -0.33 -0.91 0.28 4.39 -0.92 -1.36 114.58 114.55 2d9i h GLU 20 Ca -0.10 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.78 2d9i h GLU 20 Cb 0.78 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 29.35 2d9i h GLU 20 CO 0.17 -0.22 -0.33 0.00 -1.16 0.00 0.00 179.01 177.46 2d9i h ALA 21 N -0.40 0.27 0.11 3.43 0.00 -1.12 -0.31 119.26 121.23 2d9i h ALA 21 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2d9i h ALA 21 Cb 0.47 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2d9i h ALA 21 CO -0.42 -0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 177.92 2d9i h LEU 22 N -0.03 -0.83 -0.96 0.00 3.38 -0.96 0.32 115.31 116.22 2d9i h LEU 22 Ca 0.36 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.71 2d9i h LEU 22 Cb 0.62 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2d9i h LEU 22 CO -0.93 -0.31 0.45 -0.33 0.09 0.00 0.00 178.44 177.41 2d9i h GLU 23 N -0.44 0.27 -0.38 1.13 4.39 -0.40 0.42 114.58 119.57 2d9i h GLU 23 Ca -0.01 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2d9i h GLU 23 Cb 0.42 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2d9i h GLU 23 CO -0.13 0.18 -0.11 0.45 -1.16 0.00 0.00 179.01 178.24 2d9i h HIS 24 N 0.28 0.85 -0.80 4.33 3.86 -0.25 -2.51 115.15 120.90 2d9i h HIS 24 Ca 0.68 -0.19 0.15 0.00 -1.16 0.00 0.00 60.37 59.85 2d9i h HIS 24 Cb 1.50 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 29.71 2d9i h HIS 24 CO -0.10 0.90 0.53 1.25 0.86 0.00 0.00 177.93 181.37 2d9i h LEU 25 N 0.55 0.45 0.17 2.43 5.85 0.37 0.24 115.31 125.38 2d9i h LEU 25 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2d9i h LEU 25 Cb 0.64 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2d9i h LEU 25 CO 0.04 0.23 -0.08 0.24 -0.34 0.00 0.00 178.44 178.53 2d9i h MET 26 N 0.48 -0.22 -0.10 1.25 2.86 -1.19 -2.33 114.93 115.68 2d9i h MET 26 Ca 0.40 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.09 2d9i h MET 26 Cb 0.85 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 2d9i h MET 26 CO -0.14 0.16 -0.13 0.00 1.06 0.00 0.00 176.91 177.86 2d9i h ARG 27 N -0.93 -0.16 -0.26 1.72 -0.00 -1.01 -1.27 114.38 112.47 2d9i h ARG 27 Ca -0.02 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.48 2d9i h ARG 27 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 2d9i h ARG 27 CO 0.04 -0.11 0.17 -0.39 0.00 0.00 0.00 179.97 179.68 2d9i h VAL 28 N -0.17 1.03 -0.15 2.04 -1.51 -0.66 0.30 116.25 117.13 2d9i h VAL 28 Ca 0.08 -0.10 -0.07 0.00 -1.23 0.00 0.00 66.70 65.38 2d9i h VAL 28 Cb 0.28 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2d9i h VAL 28 CO -0.20 0.05 -0.21 -0.07 -1.23 0.00 0.00 177.57 175.91 2d9i h LEU 29 N 0.29 0.24 0.03 4.19 3.38 -0.66 0.68 115.31 123.45 2d9i h LEU 29 Ca 0.10 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.70 2d9i h LEU 29 Cb 0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2d9i h LEU 29 CO -0.02 0.47 -1.80 -0.62 0.09 0.00 0.00 178.44 176.56 2d9i n GLU 30 N -4.20 0.66 -0.06 1.13 -0.58 -0.44 -3.77 120.64 113.38 2d9i n GLU 30 Ca -0.01 0.28 -0.05 0.00 -0.42 0.00 0.00 57.16 56.96 2d9i n GLU 30 Cb 0.33 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.39 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2d9i h LYS 31 N 0.01 0.00 -0.34 3.49 1.63 -0.33 -3.10 116.57 117.94 2d9i h LYS 31 Ca -0.33 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.53 2d9i h LYS 31 Cb 2.03 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.58 2d9i h LYS 31 CO 0.08 0.39 -0.51 0.87 -3.45 0.00 0.00 179.45 176.83 2d9i h LYS 32 N -1.00 -0.41 -0.27 1.90 1.79 0.16 0.34 116.57 119.08 2d9i h LYS 32 Ca -0.00 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.58 2d9i h LYS 32 Cb 0.39 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2d9i h LYS 32 CO -0.00 -0.27 0.25 0.00 -1.08 0.00 0.00 179.45 178.35 2d9i h THR 33 N -0.42 0.58 0.11 -0.16 1.03 -1.70 -2.69 112.91 109.66 2d9i h THR 33 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.50 2d9i h THR 33 Cb 0.61 0.81 -0.04 0.00 -1.07 0.00 0.00 68.15 68.46 2d9i h THR 33 CO -0.55 0.00 -0.45 -0.08 -0.01 0.00 0.00 175.52 174.44 2d9i h GLU 34 N 0.00 -0.61 -0.74 0.00 4.57 -0.23 -1.57 114.58 115.99 2d9i h GLU 34 Ca 0.13 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2d9i h GLU 34 Cb 0.63 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2d9i h GLU 34 CO -0.00 -0.41 0.30 0.93 -1.18 0.00 0.00 179.01 178.65 2d9i h GLU 35 N -0.64 1.09 -1.01 1.92 5.08 -1.43 0.22 114.58 119.82 2d9i h GLU 35 Ca -0.01 -0.19 0.23 0.00 -1.00 0.00 0.00 59.36 58.39 2d9i h GLU 35 Cb 0.64 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 2d9i h GLU 35 CO -0.24 0.88 0.62 0.35 -1.00 0.00 0.00 179.01 179.62 2d9i h PHE 36 N 1.06 0.93 0.00 4.33 3.57 -1.19 0.89 116.94 126.53 2d9i h PHE 36 Ca 0.25 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.56 2d9i h PHE 36 Cb 0.19 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2d9i h PHE 36 CO 0.02 0.14 -1.33 1.63 -2.23 0.00 0.00 178.31 176.53 2d9i n LYS 37 N -4.76 0.55 0.21 1.11 5.02 -0.64 -2.16 118.16 117.48 2d9i n LYS 37 Ca 0.25 0.50 -0.15 0.00 -2.02 0.00 0.00 58.31 56.88 2d9i n LYS 37 Cb 0.70 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.70 0.00 1.97 1.08 -0.37 -3.38 115.11 112.71 2d9i h GLN 38 Ca -0.33 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2d9i h GLN 38 Cb 1.19 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2d9i h GLN 38 CO -0.20 -0.46 -0.16 -1.71 -0.95 0.00 0.00 178.83 175.35 2d9i n ASN 39 N -5.46 0.52 0.00 1.46 5.15 0.26 -5.04 115.26 112.15 2d9i n ASN 39 Ca -0.09 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2d9i n ASN 39 Cb 0.37 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 2d9i n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d9i n GLY 40 N 1.68 3.40 0.00 8.20 0.00 0.13 -4.98 105.19 113.63 2d9i n GLY 40 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.55 3.77 -0.02 0.00 -0.92 -4.76 105.19 105.80 2d9i n GLY 41 Ca 0.00 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.82 4.36 0.00 1.61 1.02 -1.26 -4.90 119.74 119.75 2d9i s LYS 42 Ca 0.00 1.79 0.12 0.00 0.02 0.00 0.00 55.97 57.90 2d9i s LYS 42 Cb 0.00 -2.91 0.71 0.00 -0.52 0.00 0.00 37.83 35.11 2d9i s LYS 42 CO 0.00 -0.03 1.14 -0.35 -0.92 0.00 0.00 175.35 175.18 2d9i n PRO 43 N 0.60 0.49 -4.36 -1.68 -0.04 -1.26 -4.73 135.00 124.02 2d9i n PRO 43 Ca 0.02 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 2d9i n PRO 43 Cb 0.46 -1.38 -0.10 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 1.67 -0.02 0.54 1.13 -1.26 0.65 117.35 118.06 2d9i s TYR 44 Ca 0.18 -0.90 0.06 0.00 -1.41 0.00 0.00 57.07 55.00 2d9i s TYR 44 Cb 0.08 -0.98 -0.01 0.00 -1.10 0.00 0.00 41.96 39.95 2d9i s TYR 44 CO 0.14 0.01 -0.18 -1.17 -2.51 0.00 0.00 175.55 171.83 2d9i s LEU 45 N -3.35 2.03 -0.19 -3.49 2.96 0.80 -4.81 118.68 112.64 2d9i s LEU 45 Ca 0.30 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.67 2d9i s LEU 45 Cb 0.06 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 2d9i s LEU 45 CO 0.10 0.22 0.63 -0.44 -1.32 0.00 0.00 176.35 175.55 2d9i s SER 46 N -0.41 6.71 -0.04 3.68 0.01 -0.81 -2.29 113.70 120.55 2d9i s SER 46 Ca 0.07 0.86 0.07 0.00 1.31 0.00 0.00 55.95 58.25 2d9i s SER 46 Cb -0.07 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 2d9i s SER 46 CO -0.01 -0.26 -0.25 -0.69 0.41 0.00 0.00 173.24 172.44 2d9i s VAL 47 N 1.83 2.00 -0.26 3.43 1.01 -0.95 -1.23 120.40 126.23 2d9i s VAL 47 Ca 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2d9i s VAL 47 Cb -0.16 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.61 2d9i s VAL 47 CO 0.11 0.56 0.01 -0.63 0.00 0.00 0.00 175.10 175.14 2d9i s ILE 48 N -0.33 1.33 -0.15 2.22 1.01 -1.01 0.02 121.20 124.28 2d9i s ILE 48 Ca 0.02 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.17 2d9i s ILE 48 Cb -0.12 -1.76 -0.24 0.00 0.01 0.00 0.00 42.46 40.35 2d9i s ILE 48 CO 0.02 -0.30 0.46 0.71 0.00 0.00 0.00 174.94 175.82 2d9i h THR 49 N 6.60 1.10 0.00 2.92 1.35 -1.86 0.49 112.91 123.51 2d9i h THR 49 Ca -0.15 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2d9i h THR 49 Cb 1.06 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 2d9i h THR 49 CO 0.43 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 2d9i n GLY 50 N 1.62 1.16 3.68 5.82 0.00 -1.25 -2.40 105.19 113.82 2d9i n GLY 50 Ca -0.25 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.04 2.13 0.00 1.61 3.52 -1.26 -4.97 118.95 119.94 2d9i s ARG 51 Ca 0.00 -1.85 0.00 0.00 -0.13 0.00 0.00 55.73 53.75 2d9i s ARG 51 Cb 0.00 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.49 2d9i s ARG 51 CO 0.00 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 2d9i n GLY 52 N -1.08 3.15 0.11 8.12 0.00 -1.26 -4.74 105.19 109.48 2d9i n GLY 52 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2d9i n GLY 52 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2d9i h ASN 53 N 0.00 0.25 -0.08 1.61 7.08 -2.00 -3.38 115.58 119.06 2d9i h ASN 53 Ca 0.00 -0.82 -0.01 0.00 -3.08 0.00 0.00 56.30 52.39 2d9i h ASN 53 Cb 0.00 -0.08 -0.00 0.00 -2.08 0.00 0.00 38.32 36.16 2d9i h ASN 53 CO 0.00 1.45 0.02 0.45 -2.08 0.00 0.00 177.43 177.27 2d9i h HIS 54 N -0.58 0.14 -2.84 4.14 3.86 -2.06 -3.42 115.15 114.39 2d9i h HIS 54 Ca -0.24 -0.02 -0.54 0.00 -1.16 0.00 0.00 60.37 58.42 2d9i h HIS 54 Cb 1.52 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.96 2d9i h HIS 54 CO 0.16 0.33 0.88 -1.54 0.86 0.00 0.00 177.93 178.61 2d9i s SER 55 N -5.56 6.74 0.52 2.45 1.04 -1.26 -5.00 113.70 112.63 2d9i s SER 55 Ca -0.14 2.32 -0.12 0.00 0.48 0.00 0.00 55.95 58.49 2d9i s SER 55 Cb 0.05 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 2d9i s SER 55 CO 0.69 -0.78 0.93 0.00 0.98 0.00 0.00 173.24 175.06 2d9i s GLN 56 N 2.17 3.75 0.00 4.02 0.00 -1.26 -4.64 119.66 123.69 2d9i s GLN 56 Ca 0.68 0.68 0.00 0.00 -0.00 0.00 0.00 55.36 56.72 2d9i s GLN 56 Cb -0.36 -2.21 0.00 0.00 0.00 0.00 0.00 33.01 30.44 2d9i s GLN 56 CO 0.30 -0.31 0.00 0.41 0.00 0.00 0.00 175.29 175.69 2d9i n GLY 57 N -1.98 0.75 2.32 2.60 0.00 -1.26 -5.03 105.19 102.58 2d9i n GLY 57 Ca 0.05 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.44 6.10 1.15 -0.02 0.00 -1.26 -4.68 105.19 106.04 2d9i n GLY 58 Ca 0.00 -2.64 0.07 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.64 1.16 -0.00 1.61 0.24 -1.26 -4.41 118.33 115.03 2d9i n VAL 59 Ca 0.46 -0.80 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 2d9i n VAL 59 Cb 0.74 0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.16 2d9i n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d9i h ALA 60 N 3.75 0.04 -4.39 2.33 0.00 -1.93 -3.46 119.26 115.59 2d9i h ALA 60 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.55 2d9i h ALA 60 Cb 1.01 0.15 0.06 0.00 0.00 0.00 0.00 17.79 19.01 2d9i h ALA 60 CO 0.13 -0.52 -0.60 0.54 0.00 0.00 0.00 179.25 178.80 2d9i n ARG 61 N -5.20 -4.84 -0.08 0.00 1.74 -1.26 -4.39 116.66 102.64 2d9i n ARG 61 Ca -0.04 0.91 -0.12 0.00 -0.77 0.00 0.00 57.85 57.83 2d9i n ARG 61 Cb 0.12 -5.74 -0.08 0.00 -1.02 0.00 0.00 32.46 25.74 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 -1.37 0.95 -0.72 0.55 2.04 -1.90 -3.34 117.51 113.72 2d9i h ILE 62 Ca -0.53 -1.85 0.16 0.00 1.00 0.00 0.00 64.86 63.64 2d9i h ILE 62 Cb 1.36 1.94 -0.12 0.00 -0.74 0.00 0.00 36.82 39.26 2d9i h ILE 62 CO 0.56 0.32 0.09 0.50 0.00 0.00 0.00 178.15 179.63 2d9i h LYS 63 N -1.00 0.18 -0.31 2.37 3.64 -1.91 -1.90 116.57 117.64 2d9i h LYS 63 Ca -0.10 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2d9i h LYS 63 Cb 0.82 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.52 2d9i h LYS 63 CO -0.06 0.12 -0.43 -1.35 -2.27 0.00 0.00 179.45 175.46 2d9i h PRO 64 N 0.18 -0.37 0.16 1.90 0.11 -1.98 -0.33 132.00 131.67 2d9i h PRO 64 Ca 0.40 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2d9i h PRO 64 Cb 0.69 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2d9i h PRO 64 CO -0.56 -0.25 -0.14 0.00 -0.21 0.00 0.00 178.00 176.84 2d9i h ALA 65 N 0.29 -0.29 -0.48 -0.75 0.00 -1.50 -2.80 119.26 113.72 2d9i h ALA 65 Ca 0.11 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2d9i h ALA 65 Cb 0.60 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 2d9i h ALA 65 CO -0.51 -0.68 -0.32 0.28 0.00 0.00 0.00 179.25 178.02 2d9i h VAL 66 N -0.32 0.22 -0.75 0.00 2.07 -0.88 0.22 116.25 116.81 2d9i h VAL 66 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2d9i h VAL 66 Cb 0.29 0.22 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 2d9i h VAL 66 CO -0.02 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.17 2d9i h ILE 67 N -0.20 0.52 -0.88 4.57 2.04 -0.91 0.27 117.51 122.91 2d9i h ILE 67 Ca 0.20 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2d9i h ILE 67 Cb 0.54 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2d9i h ILE 67 CO -0.60 0.05 0.48 0.50 0.00 0.00 0.00 178.15 178.59 2d9i h LYS 68 N 0.29 1.24 -0.18 2.37 3.64 -0.75 -1.68 116.57 121.50 2d9i h LYS 68 Ca 0.43 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2d9i h LYS 68 Cb 0.73 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2d9i h LYS 68 CO -0.51 0.91 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.57 2d9i h TYR 69 N 1.24 0.43 0.30 1.91 5.03 0.41 -2.86 116.97 123.43 2d9i h TYR 69 Ca 0.31 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2d9i h TYR 69 Cb 0.03 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 2d9i h TYR 69 CO 0.01 0.68 -0.33 -0.07 -1.32 0.00 0.00 178.16 177.13 2d9i h LEU 70 N 0.06 -0.90 -0.69 2.82 3.38 -0.40 -2.54 115.31 117.03 2d9i h LEU 70 Ca 0.04 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.24 2d9i h LEU 70 Cb 0.57 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 2d9i h LEU 70 CO 0.03 -0.46 0.07 0.40 0.09 0.00 0.00 178.44 178.57 2d9i h ILE 71 N -0.67 0.46 -0.44 1.22 2.04 -1.36 0.58 117.51 119.34 2d9i h ILE 71 Ca -0.01 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2d9i h ILE 71 Cb 0.62 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 2d9i h ILE 71 CO -0.08 0.03 -0.16 0.28 0.00 0.00 0.00 178.15 178.22 2d9i h SER 72 N 0.17 -0.57 -0.02 1.72 0.02 -1.22 0.30 113.55 113.95 2d9i h SER 72 Ca 0.38 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2d9i h SER 72 Cb 0.65 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2d9i h SER 72 CO -0.55 -0.20 0.00 1.41 -1.14 0.00 0.00 176.83 176.35 2d9i n HIS 73 N -5.37 0.02 -3.37 3.45 8.25 -0.34 -4.92 115.22 112.94 2d9i n HIS 73 Ca 0.03 -0.01 -0.18 0.00 -0.26 0.00 0.00 57.72 57.31 2d9i n HIS 73 Cb 0.28 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.30 -3.20 -4.73 0.41 7.64 0.18 -4.97 113.62 108.65 2d9i n SER 74 Ca 0.20 -0.55 -0.40 0.00 1.01 0.00 0.00 58.87 59.13 2d9i n SER 74 Cb 0.25 -4.74 -0.05 0.00 -1.01 0.00 0.00 64.21 58.66 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 -3.32 3.73 0.03 1.43 0.08 0.13 -4.97 117.98 115.09 2d9i s PHE 75 Ca 0.16 1.56 -0.29 0.00 0.12 0.00 0.00 56.93 58.48 2d9i s PHE 75 Cb -0.07 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 2d9i s PHE 75 CO 0.67 0.19 0.91 0.50 -0.10 0.00 0.00 175.22 177.40 2d9i s ARG 76 N 0.21 4.58 0.06 0.44 3.52 -1.26 -4.65 118.95 121.85 2d9i s ARG 76 Ca 0.42 1.32 -0.19 0.00 -0.13 0.00 0.00 55.73 57.15 2d9i s ARG 76 Cb -0.21 -3.42 0.04 0.00 -1.56 0.00 0.00 34.95 29.80 2d9i s ARG 76 CO 0.25 0.10 0.45 -0.59 -0.81 0.00 0.00 175.30 174.69 2d9i s PHE 77 N 0.51 -0.31 -0.14 5.12 -0.71 -1.26 -2.30 117.98 118.88 2d9i s PHE 77 Ca 0.47 0.26 -0.10 0.00 -1.04 0.00 0.00 56.93 56.52 2d9i s PHE 77 Cb -0.21 0.27 0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2d9i s PHE 77 CO 0.27 -0.61 0.36 0.45 -1.34 0.00 0.00 175.22 174.34 2d9i s SER 78 N -2.10 -0.41 -0.58 1.98 0.15 -1.13 -5.01 113.70 106.60 2d9i s SER 78 Ca -0.04 0.75 -0.28 0.00 0.70 0.00 0.00 55.95 57.08 2d9i s SER 78 Cb -0.00 0.68 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 2d9i s SER 78 CO -0.03 -0.16 1.47 -0.70 1.20 0.00 0.00 173.24 175.01 2d9i s GLU 79 N 0.86 3.21 -0.14 5.44 2.12 -1.26 -3.56 118.70 125.37 2d9i s GLU 79 Ca -0.05 0.43 0.19 0.00 0.36 0.00 0.00 54.97 55.90 2d9i s GLU 79 Cb -0.06 -4.16 -0.28 0.00 0.26 0.00 0.00 34.13 29.88 2d9i s GLU 79 CO -0.06 -2.06 0.22 0.44 -0.54 0.00 0.00 175.26 173.26 2d9i n ILE 80 N 6.87 0.93 -4.04 -3.70 -5.35 -1.26 -4.99 119.36 107.82 2d9i n ILE 80 Ca 0.13 -0.74 -0.10 0.00 -0.27 0.00 0.00 62.75 61.77 2d9i n ILE 80 Cb 0.49 -0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.48 -1.11 6.28 -0.14 -1.26 -5.07 119.74 116.08 2d9i s LYS 81 Ca -0.09 -0.83 -0.23 0.00 -1.36 0.00 0.00 55.97 53.46 2d9i s LYS 81 Cb 0.09 -0.03 -0.08 0.00 -1.68 0.00 0.00 37.83 36.13 2d9i s LYS 81 CO 0.86 -0.03 1.94 -1.25 -0.76 0.00 0.00 175.35 176.11 2d9i s PRO 82 N -2.15 2.51 0.00 -1.68 0.04 -1.26 -2.14 135.00 130.32 2d9i s PRO 82 Ca -0.08 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.02 2d9i s PRO 82 Cb -0.05 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.29 2d9i s PRO 82 CO -0.02 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 173.60 2d9i n GLY 83 N 6.08 1.62 2.81 0.56 0.00 -1.26 -4.47 105.19 110.52 2d9i n GLY 83 Ca 0.44 0.00 -0.16 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 0.94 3.66 -0.40 0.00 1.43 0.10 -4.11 118.68 120.31 2d9i s LEU 85 Ca -0.09 -1.25 -0.24 0.00 -1.03 0.00 0.00 54.13 51.52 2d9i s LEU 85 Cb -0.12 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2d9i s LEU 85 CO -0.02 -0.22 0.85 -0.75 0.23 0.00 0.00 176.35 176.44 2d9i s LYS 86 N 1.22 3.68 -0.14 1.70 2.20 -1.23 -2.24 119.74 124.93 2d9i s LYS 86 Ca -0.05 0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2d9i s LYS 86 Cb -0.19 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.25 2d9i s LYS 86 CO -0.03 -1.00 -0.06 0.08 -0.36 0.00 0.00 175.35 173.98 2d9i s VAL 87 N 3.37 3.68 -0.11 4.02 1.01 -0.97 -2.84 120.40 128.56 2d9i s VAL 87 Ca 0.34 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2d9i s VAL 87 Cb -0.12 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2d9i s VAL 87 CO 0.20 0.51 0.99 -0.04 0.00 0.00 0.00 175.10 176.76 2d9i s MET 88 N 0.26 4.41 0.13 2.72 1.00 -0.97 -0.14 119.30 126.70 2d9i s MET 88 Ca -0.05 1.35 -0.30 0.00 0.00 0.00 0.00 55.69 56.69 2d9i s MET 88 Cb -0.14 -3.55 -0.06 0.00 0.00 0.00 0.00 34.83 31.08 2d9i s MET 88 CO 0.04 -0.32 1.04 -0.51 0.00 0.00 0.00 175.02 175.26 2d9i s LEU 89 N 2.03 4.48 0.30 -0.03 1.43 0.21 -4.69 118.68 122.41 2d9i s LEU 89 Ca 0.47 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2d9i s LEU 89 Cb -0.18 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.35 2d9i s LEU 89 CO 0.17 -0.17 1.33 -0.54 0.23 0.00 0.00 176.35 177.37 2d9i s LYS 90 N -0.00 4.34 0.22 1.70 1.02 -1.26 -4.81 119.74 120.96 2d9i s LYS 90 Ca 0.49 2.21 -0.19 0.00 0.02 0.00 0.00 55.97 58.50 2d9i s LYS 90 Cb -0.26 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2d9i s LYS 90 CO 0.32 -0.24 0.59 -1.54 -0.92 0.00 0.00 175.35 173.56 2d9i s SER 91 N -0.21 -0.28 0.37 2.83 1.04 -1.26 -5.09 113.70 111.10 2d9i s SER 91 Ca 0.52 -0.51 0.07 0.00 0.48 0.00 0.00 55.95 56.51 2d9i s SER 91 Cb -0.40 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 2d9i s SER 91 CO 0.49 -1.15 0.37 -0.83 0.98 0.00 0.00 173.24 173.10 2d9i s GLY 92 N -2.89 1.89 0.00 7.32 0.00 -1.26 -4.99 107.32 107.39 2d9i s GLY 92 Ca 0.10 -1.70 0.15 0.00 0.00 0.00 0.00 44.72 43.26 2d9i s GLY 92 CO 0.00 -1.58 1.29 -1.55 0.00 0.00 0.00 173.10 171.26 2d9i n PRO 93 N -1.51 0.49 -1.55 2.90 -0.04 -1.26 -4.76 135.00 129.27 2d9i n PRO 93 Ca 0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2d9i n PRO 93 Cb 0.60 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 2d9i n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d9i n SER 94 N -0.97 2.42 -0.00 3.54 3.41 -1.26 -4.83 113.62 115.93 2d9i n SER 94 Ca 0.11 -0.13 -0.03 0.00 -0.26 0.00 0.00 58.87 58.56 2d9i n SER 94 Cb 0.05 -1.49 -0.02 0.00 -0.26 0.00 0.00 64.21 62.50 2d9i n SER 94 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2d9i h SER 95 N 16.80 -0.09 0.00 4.04 4.64 -2.06 -3.55 113.55 133.33 2d9i h SER 95 Ca -0.28 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2d9i h SER 95 Cb 1.27 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2d9i h SER 95 CO 1.10 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 178.09