#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i n SER 2 N 0.00 -4.96 -3.69 1.61 7.64 -1.26 -4.99 113.62 107.97 2d9i n SER 2 Ca 0.00 -0.63 -0.14 0.00 1.01 0.00 0.00 58.87 59.11 2d9i n SER 2 Cb 0.00 -4.71 -0.14 0.00 -1.01 0.00 0.00 64.21 58.35 2d9i n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d9i s SER 3 N -3.56 0.23 -0.15 6.43 1.04 -1.26 -5.04 113.70 111.39 2d9i s SER 3 Ca 0.47 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.33 2d9i s SER 3 Cb -0.22 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2d9i s SER 3 CO 0.76 -0.21 0.03 -0.83 0.98 0.00 0.00 173.24 173.97 2d9i s GLY 4 N 1.95 1.87 0.29 7.32 0.00 -1.26 -4.99 107.32 112.50 2d9i s GLY 4 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.96 2d9i s GLY 4 CO -0.08 -0.14 1.63 0.23 0.00 0.00 0.00 173.10 174.75 2d9i h SER 5 N 6.24 -0.08 -3.38 1.64 0.87 -2.05 -3.36 113.55 113.42 2d9i h SER 5 Ca -0.40 0.21 -0.59 0.00 -1.23 0.00 0.00 61.79 59.79 2d9i h SER 5 Cb 1.18 0.31 -0.10 0.00 -0.44 0.00 0.00 62.40 63.35 2d9i h SER 5 CO 0.65 -0.20 -0.19 -0.44 -0.53 0.00 0.00 176.83 176.11 2d9i s SER 6 N -5.05 6.54 0.00 6.23 0.01 -1.26 -5.04 113.70 115.13 2d9i s SER 6 Ca -0.12 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2d9i s SER 6 Cb 0.27 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2d9i s SER 6 CO 0.77 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2d9i n GLY 7 N 3.58 2.35 3.42 3.44 0.00 -1.26 -5.17 105.19 111.55 2d9i n GLY 7 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2d9i n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2d9i s GLN 8 N -1.13 1.12 -0.22 1.61 -2.07 -1.26 -5.06 119.66 112.64 2d9i s GLN 8 Ca 0.00 -0.24 0.08 0.00 -1.82 0.00 0.00 55.36 53.38 2d9i s GLN 8 Cb 0.00 0.51 -0.19 0.00 -1.09 0.00 0.00 33.01 32.24 2d9i s GLN 8 CO 0.00 -0.42 -0.10 0.09 -1.32 0.00 0.00 175.29 173.54 2d9i n ASN 9 N 0.23 1.41 -4.61 12.60 3.02 -1.26 -4.90 115.26 121.75 2d9i n ASN 9 Ca -0.18 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.88 2d9i n ASN 9 Cb 0.61 0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.89 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 -2.47 4.91 -0.41 2.41 0.11 -1.26 -4.00 120.40 119.69 2d9i s VAL 10 Ca -0.23 1.04 -0.19 0.00 -2.93 0.00 0.00 61.98 59.67 2d9i s VAL 10 Cb 0.07 -4.02 0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2d9i s VAL 10 CO 0.64 -0.12 0.53 -0.22 -3.33 0.00 0.00 175.10 172.61 2d9i s LEU 11 N 2.68 4.60 -0.58 2.54 2.96 -0.64 -4.95 118.68 125.29 2d9i s LEU 11 Ca 0.28 -0.39 -0.28 0.00 -0.22 0.00 0.00 54.13 53.51 2d9i s LEU 11 Cb -0.15 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.00 2d9i s LEU 11 CO 0.11 -0.63 1.29 -0.62 -1.32 0.00 0.00 176.35 175.18 2d9i s ASP 12 N 1.87 6.30 0.21 3.68 2.15 -1.26 -2.70 116.67 126.92 2d9i s ASP 12 Ca 0.18 0.16 0.15 0.00 0.43 0.00 0.00 52.55 53.47 2d9i s ASP 12 Cb -0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2d9i s ASP 12 CO 0.16 -1.59 1.26 -0.07 -0.17 0.00 0.00 175.17 174.76 2d9i h LEU 13 N 12.46 0.00 -9.27 -1.34 3.38 -0.61 -3.46 115.31 116.46 2d9i h LEU 13 Ca -0.26 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.07 2d9i h LEU 13 Cb 1.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 2d9i h LEU 13 CO 1.19 0.53 1.00 1.57 0.09 0.00 0.00 178.44 182.81 2d9i n HIS 14 N -3.13 2.23 0.00 1.13 -0.00 -0.94 -1.84 115.22 112.68 2d9i n HIS 14 Ca -0.01 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.33 2d9i n HIS 14 Cb 0.77 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 4.17 2.14 3.95 1.57 0.00 -1.26 -5.02 105.19 110.74 2d9i n GLY 15 Ca 0.23 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 0.03 0.99 1.43 -0.77 -5.07 118.68 118.09 2d9i s LEU 16 Ca 0.00 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 2d9i s LEU 16 Cb 0.00 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 2d9i s LEU 16 CO 0.00 -2.27 0.45 -2.28 0.23 0.00 0.00 176.35 172.47 2d9i s HIS 17 N -3.56 3.73 0.10 0.29 5.65 -1.26 -4.82 115.29 115.41 2d9i s HIS 17 Ca 0.69 1.04 -0.19 0.00 0.25 0.00 0.00 55.06 56.85 2d9i s HIS 17 Cb -0.06 -2.32 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 2d9i s HIS 17 CO 0.49 0.61 1.03 0.28 -0.65 0.00 0.00 174.74 176.50 2d9i n VAL 18 N 1.67 -0.41 -0.30 0.89 0.31 -1.26 0.18 118.33 119.41 2d9i n VAL 18 Ca -0.12 1.61 0.14 0.00 -0.01 0.00 0.00 64.34 65.96 2d9i n VAL 18 Cb 0.52 -2.01 0.31 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.15 0.21 4.52 3.32 -1.96 -1.31 116.42 121.35 2d9i h ASP 19 Ca 0.10 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2d9i h ASP 19 Cb 0.25 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2d9i h ASP 19 CO -0.57 -0.10 -0.10 -0.33 -1.72 0.00 0.00 179.24 176.41 2d9i h GLU 20 N 0.28 -0.27 -0.98 3.56 4.39 0.16 -3.05 114.58 118.66 2d9i h GLU 20 Ca 0.56 0.02 0.36 0.00 0.34 0.00 0.00 59.36 60.65 2d9i h GLU 20 Cb 1.13 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.72 2d9i h GLU 20 CO -0.61 -0.18 0.60 0.00 -1.16 0.00 0.00 179.01 177.67 2d9i n ALA 21 N -2.28 0.99 0.32 3.43 0.00 0.46 0.68 120.51 124.10 2d9i n ALA 21 Ca -0.03 0.74 -0.16 0.00 0.00 0.00 0.00 53.44 53.99 2d9i n ALA 21 Cb 0.11 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.69 -0.71 0.00 3.38 -1.26 -1.63 115.31 114.40 2d9i h LEU 22 Ca 0.69 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.78 2d9i h LEU 22 Cb 2.08 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 42.91 2d9i h LEU 22 CO -0.46 -0.37 0.22 1.05 0.09 0.00 0.00 178.44 178.97 2d9i h GLU 23 N -1.01 0.33 -0.94 1.13 4.11 0.36 0.37 114.58 118.93 2d9i h GLU 23 Ca -0.08 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 2d9i h GLU 23 Cb 0.67 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2d9i h GLU 23 CO 0.14 0.22 0.57 0.45 0.07 0.00 0.00 179.01 180.46 2d9i h HIS 24 N 0.34 1.23 -0.01 2.06 3.86 -1.29 -0.25 115.15 121.09 2d9i h HIS 24 Ca 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2d9i h HIS 24 Cb 0.62 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 2d9i h HIS 24 CO -0.22 0.81 0.01 1.25 0.86 0.00 0.00 177.93 180.64 2d9i h LEU 25 N 1.29 0.00 0.01 2.43 5.85 0.08 0.30 115.31 125.28 2d9i h LEU 25 Ca 0.34 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.78 2d9i h LEU 25 Cb -0.07 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2d9i h LEU 25 CO -0.06 0.00 -1.54 0.24 -0.34 0.00 0.00 178.44 176.73 2d9i h MET 26 N 0.00 0.03 0.01 1.25 2.86 -0.83 -2.79 114.93 115.46 2d9i h MET 26 Ca 0.01 -0.05 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 2d9i h MET 26 Cb 0.03 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2d9i h MET 26 CO -0.00 0.69 -0.93 0.00 1.06 0.00 0.00 176.91 177.73 2d9i h ARG 27 N 0.01 0.30 0.00 1.72 2.47 -0.18 -3.26 114.38 115.44 2d9i h ARG 27 Ca -0.22 -0.33 -0.22 0.00 -1.26 0.00 0.00 59.98 57.94 2d9i h ARG 27 Cb 1.96 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 30.34 2d9i h ARG 27 CO 0.10 1.04 -1.11 -0.39 0.56 0.00 0.00 179.97 180.17 2d9i h VAL 28 N 0.16 1.57 0.00 2.04 -1.51 -0.57 -2.66 116.25 115.28 2d9i h VAL 28 Ca -0.07 -3.30 -0.00 0.00 -1.23 0.00 0.00 66.70 62.10 2d9i h VAL 28 Cb 1.57 2.77 -0.00 0.00 -2.13 0.00 0.00 31.29 33.50 2d9i h VAL 28 CO 0.15 0.89 -0.02 -0.07 -1.23 0.00 0.00 177.57 177.29 2d9i h LEU 29 N 0.00 0.00 0.02 4.19 3.38 -1.53 0.49 115.31 121.86 2d9i h LEU 29 Ca -0.05 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 2d9i h LEU 29 Cb 1.80 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.51 2d9i h LEU 29 CO 0.12 0.02 -1.76 -1.84 0.09 0.00 0.00 178.44 175.07 2d9i n GLU 30 N -4.30 0.60 0.11 1.13 0.28 -1.23 -3.64 120.64 113.59 2d9i n GLU 30 Ca -0.03 0.43 -0.13 0.00 -0.16 0.00 0.00 57.16 57.27 2d9i n GLU 30 Cb 0.11 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.23 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2d9i h LYS 31 N -0.79 -0.25 0.13 3.44 3.11 -1.36 0.38 116.57 121.25 2d9i h LYS 31 Ca -0.46 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.41 2d9i h LYS 31 Cb 1.52 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.77 2d9i h LYS 31 CO -0.21 -0.01 -0.34 0.87 -2.81 0.00 0.00 179.45 176.94 2d9i h LYS 32 N -0.45 -0.56 -0.39 1.90 1.79 -0.24 -2.03 116.57 116.59 2d9i h LYS 32 Ca -0.03 0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 2d9i h LYS 32 Cb 0.35 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2d9i h LYS 32 CO 0.04 -0.37 0.04 0.00 -1.08 0.00 0.00 179.45 178.08 2d9i h THR 33 N -0.58 1.20 0.05 -0.16 1.03 -1.62 -2.46 112.91 110.37 2d9i h THR 33 Ca 0.03 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.65 2d9i h THR 33 Cb 0.60 0.86 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 2d9i h THR 33 CO -0.19 0.27 -0.21 -0.33 -0.01 0.00 0.00 175.52 175.04 2d9i h GLU 34 N 0.58 -0.30 -0.07 0.00 5.08 0.47 -1.39 114.58 118.95 2d9i h GLU 34 Ca 0.13 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2d9i h GLU 34 Cb 0.31 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2d9i h GLU 34 CO 0.01 -0.20 0.06 0.93 -1.00 0.00 0.00 179.01 178.80 2d9i h GLU 35 N -0.31 0.00 -0.57 2.33 4.39 -1.44 0.39 114.58 119.37 2d9i h GLU 35 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2d9i h GLU 35 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2d9i h GLU 35 CO -0.11 0.00 0.38 0.35 -1.16 0.00 0.00 179.01 178.46 2d9i h PHE 36 N 0.00 0.71 0.07 4.33 3.57 -0.80 0.78 116.94 125.61 2d9i h PHE 36 Ca 0.03 0.02 -0.34 0.00 3.53 0.00 0.00 57.97 61.21 2d9i h PHE 36 Cb 0.14 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2d9i h PHE 36 CO 0.00 0.45 -1.90 1.63 -2.23 0.00 0.00 178.31 176.25 2d9i n LYS 37 N -4.45 0.69 0.29 1.11 5.02 -0.51 -2.42 118.16 117.88 2d9i n LYS 37 Ca 0.06 0.33 -0.17 0.00 -2.02 0.00 0.00 58.31 56.51 2d9i n LYS 37 Cb 0.05 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.29 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 -0.26 -0.77 0.00 1.97 1.08 -0.88 -3.39 115.11 112.86 2d9i h GLN 38 Ca -0.44 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2d9i h GLN 38 Cb 1.82 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 2d9i h GLN 38 CO -0.03 -0.51 -0.31 -1.71 -0.95 0.00 0.00 178.83 175.31 2d9i n ASN 39 N -5.46 0.74 0.00 1.46 5.15 0.20 -5.07 115.26 112.28 2d9i n ASN 39 Ca -0.11 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2d9i n ASN 39 Cb 0.36 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 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 1.57 3.25 0.00 8.20 0.00 -0.81 -5.01 105.19 112.38 2d9i n GLY 40 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 3.88 3.73 -0.02 0.00 -1.02 -4.88 105.19 106.89 2d9i n GLY 41 Ca 0.00 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 0.65 4.50 0.00 1.61 3.01 -1.26 -4.90 119.74 123.35 2d9i s LYS 42 Ca 0.00 1.81 0.15 0.00 -1.01 0.00 0.00 55.97 56.92 2d9i s LYS 42 Cb 0.00 -3.27 0.90 0.00 -1.01 0.00 0.00 37.83 34.44 2d9i s LYS 42 CO 0.00 -0.09 1.31 -0.35 0.51 0.00 0.00 175.35 176.73 2d9i n PRO 43 N 2.81 0.49 -4.52 -1.68 -0.04 -1.26 -4.74 135.00 126.05 2d9i n PRO 43 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 2d9i n PRO 43 Cb 0.45 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 2.22 -0.02 0.54 1.13 -1.26 -2.29 117.35 115.66 2d9i s TYR 44 Ca 0.23 -0.80 -0.01 0.00 -1.41 0.00 0.00 57.07 55.07 2d9i s TYR 44 Cb 0.10 -1.49 0.02 0.00 -1.10 0.00 0.00 41.96 39.49 2d9i s TYR 44 CO 0.17 0.24 0.05 -1.17 -2.51 0.00 0.00 175.55 172.33 2d9i s LEU 45 N -3.58 1.40 -0.01 -3.49 2.96 -0.09 -4.88 118.68 110.99 2d9i s LEU 45 Ca 0.35 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.24 2d9i s LEU 45 Cb 0.09 0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.82 2d9i s LEU 45 CO 0.16 -0.08 0.35 -0.44 -1.32 0.00 0.00 176.35 175.02 2d9i s SER 46 N 0.57 6.68 -0.23 3.68 0.01 -1.26 -1.44 113.70 121.71 2d9i s SER 46 Ca -0.05 0.81 -0.03 0.00 1.31 0.00 0.00 55.95 57.99 2d9i s SER 46 Cb -0.07 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 64.05 2d9i s SER 46 CO -0.02 0.31 0.08 -0.69 0.41 0.00 0.00 173.24 173.33 2d9i s VAL 47 N -1.14 0.31 -0.43 3.43 1.01 0.97 -1.61 120.40 122.92 2d9i s VAL 47 Ca 0.24 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2d9i s VAL 47 Cb -0.15 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2d9i s VAL 47 CO 0.13 -0.43 0.67 -0.63 0.00 0.00 0.00 175.10 174.83 2d9i s ILE 48 N 1.94 4.80 -0.03 2.22 1.01 -1.10 0.00 121.20 130.05 2d9i s ILE 48 Ca 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.78 2d9i s ILE 48 Cb -0.17 -4.22 -0.31 0.00 0.01 0.00 0.00 42.46 37.78 2d9i s ILE 48 CO -0.18 -0.60 0.75 0.71 0.00 0.00 0.00 174.94 175.62 2d9i h THR 49 N 5.88 1.02 0.00 2.92 1.35 -1.82 0.35 112.91 122.61 2d9i h THR 49 Ca -0.25 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 2d9i h THR 49 Cb 1.10 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2d9i h THR 49 CO 0.90 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.63 2d9i n GLY 50 N 1.81 2.33 3.90 5.82 0.00 -1.21 -2.57 105.19 115.27 2d9i n GLY 50 Ca -0.22 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2d9i n GLY 50 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d9i s ARG 51 N 0.00 3.64 0.00 1.61 3.03 -1.26 -4.36 118.95 121.60 2d9i s ARG 51 Ca 0.00 -0.02 0.00 0.00 2.03 0.00 0.00 55.73 57.74 2d9i s ARG 51 Cb 0.00 -2.69 0.00 0.00 -1.03 0.00 0.00 34.95 31.23 2d9i s ARG 51 CO 0.00 0.27 0.00 0.41 -1.13 0.00 0.00 175.30 174.85 2d9i n GLY 52 N -0.71 0.76 3.82 3.88 0.00 -1.26 -5.07 105.19 106.61 2d9i n GLY 52 Ca -0.02 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 6.47 -0.23 1.61 2.20 -1.26 -4.97 114.94 118.76 2d9i s ASN 53 Ca 0.00 0.56 -0.28 0.00 -0.94 0.00 0.00 52.86 52.20 2d9i s ASN 53 Cb 0.00 -2.14 -0.05 0.00 -2.00 0.00 0.00 41.25 37.07 2d9i s ASN 53 CO 0.00 0.31 2.18 -1.00 -2.94 0.00 0.00 177.10 175.64 2d9i s HIS 54 N -0.60 1.23 0.16 1.54 3.76 -1.26 -4.78 115.29 115.35 2d9i s HIS 54 Ca 0.16 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.58 2d9i s HIS 54 Cb -0.13 -3.95 -0.02 0.00 1.11 0.00 0.00 32.58 29.59 2d9i s HIS 54 CO 0.05 -3.95 0.19 -1.12 -0.85 0.00 0.00 174.74 169.07 2d9i s SER 55 N 8.09 0.15 0.23 1.40 0.01 -1.26 -5.00 113.70 117.32 2d9i s SER 55 Ca 0.98 -1.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.01 2d9i s SER 55 Cb -0.32 0.39 0.27 0.00 0.21 0.00 0.00 66.02 66.57 2d9i s SER 55 CO 0.35 -0.84 1.48 0.00 0.41 0.00 0.00 173.24 174.63 2d9i n GLN 56 N -0.19 -0.19 -1.31 12.44 6.02 -1.26 0.72 117.38 133.60 2d9i n GLN 56 Ca -0.05 1.47 -0.29 0.00 -0.01 0.00 0.00 57.00 58.12 2d9i n GLN 56 Cb 0.64 -2.18 0.04 0.00 1.02 0.00 0.00 30.24 29.75 2d9i n GLN 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2d9i n GLY 57 N -1.48 5.02 2.74 1.08 0.00 -1.26 -4.76 105.19 106.53 2d9i n GLY 57 Ca 0.11 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 2d9i n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d9i s GLY 58 N -0.73 1.93 0.06 -0.02 0.00 0.22 -5.09 107.32 103.68 2d9i s GLY 58 Ca 0.51 -2.87 0.04 0.00 0.00 0.00 0.00 44.72 42.40 2d9i s GLY 58 CO -0.11 1.46 -0.11 0.14 0.00 0.00 0.00 173.10 174.48 2d9i s VAL 59 N -0.06 0.80 -0.10 1.40 1.01 -1.26 -4.44 120.40 117.76 2d9i s VAL 59 Ca 0.20 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2d9i s VAL 59 Cb -0.18 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2d9i s VAL 59 CO -0.05 -0.31 -0.11 0.00 0.00 0.00 0.00 175.10 174.64 2d9i s ALA 60 N -1.33 1.39 -1.28 5.51 0.00 -1.26 -4.99 121.76 119.81 2d9i s ALA 60 Ca -0.06 -0.55 0.23 0.00 0.00 0.00 0.00 51.96 51.58 2d9i s ALA 60 Cb -0.10 -0.78 0.11 0.00 0.00 0.00 0.00 23.12 22.35 2d9i s ALA 60 CO 0.01 -0.16 1.14 0.54 0.00 0.00 0.00 175.76 177.30 2d9i n ARG 61 N 4.38 0.32 -0.02 0.00 1.74 -1.26 -4.34 116.66 117.47 2d9i n ARG 61 Ca -0.18 -0.24 -0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2d9i n ARG 61 Cb 0.51 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.59 0.00 -0.99 0.55 2.04 -1.94 -3.28 117.51 114.48 2d9i h ILE 62 Ca 0.00 -0.57 0.19 0.00 1.00 0.00 0.00 64.86 65.48 2d9i h ILE 62 Cb 0.55 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.45 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 -3.61 -0.11 -0.02 2.37 4.81 -1.26 -1.48 118.16 118.85 2d9i n LYS 63 Ca -0.00 1.54 -0.08 0.00 -0.87 0.00 0.00 58.31 58.90 2d9i n LYS 63 Cb 0.00 -2.29 -0.05 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 -0.28 -0.39 1.64 0.11 -1.76 -0.10 132.00 131.22 2d9i h PRO 64 Ca 0.45 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.66 2d9i h PRO 64 Cb 0.70 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.78 2d9i h PRO 64 CO -1.01 -0.18 -0.21 0.00 -0.21 0.00 0.00 178.00 176.39 2d9i h ALA 65 N -0.79 0.07 -0.07 -0.75 0.00 -1.32 -1.09 119.26 115.31 2d9i h ALA 65 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2d9i h ALA 65 Cb 0.35 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2d9i h ALA 65 CO -0.25 -0.58 -0.54 0.28 0.00 0.00 0.00 179.25 178.16 2d9i h VAL 66 N -0.14 0.00 -0.95 0.00 2.07 -0.90 0.33 116.25 116.67 2d9i h VAL 66 Ca 0.19 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.89 2d9i h VAL 66 Cb 0.44 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.10 2d9i h VAL 66 CO -0.48 0.00 0.54 0.40 0.02 0.00 0.00 177.57 178.05 2d9i h ILE 67 N -0.63 0.69 -0.47 4.57 2.04 -0.56 0.24 117.51 123.39 2d9i h ILE 67 Ca 0.02 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2d9i h ILE 67 Cb 0.70 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2d9i h ILE 67 CO -0.40 0.13 0.00 0.50 0.00 0.00 0.00 178.15 178.38 2d9i h LYS 68 N 0.69 0.83 -0.26 2.37 3.11 0.11 -2.55 116.57 120.87 2d9i h LYS 68 Ca 0.55 -0.26 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 2d9i h LYS 68 Cb 0.85 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2d9i h LYS 68 CO -0.39 0.88 -0.01 -0.92 -2.81 0.00 0.00 179.45 176.19 2d9i h TYR 69 N 0.69 0.51 0.28 1.91 5.03 0.15 -2.79 116.97 122.74 2d9i h TYR 69 Ca 0.13 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2d9i h TYR 69 Cb 0.50 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.62 2d9i h TYR 69 CO 0.04 0.64 -0.47 -0.07 -1.32 0.00 0.00 178.16 176.97 2d9i h LEU 70 N 0.23 -1.36 -1.17 2.82 3.38 -0.57 -1.62 115.31 117.03 2d9i h LEU 70 Ca 0.07 0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.40 2d9i h LEU 70 Cb 0.44 0.48 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 2d9i h LEU 70 CO 0.02 -0.58 0.62 0.40 0.09 0.00 0.00 178.44 178.99 2d9i h ILE 71 N -0.82 0.61 -0.41 1.22 2.04 -1.49 0.17 117.51 118.83 2d9i h ILE 71 Ca -0.02 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.69 2d9i h ILE 71 Cb 0.77 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2d9i h ILE 71 CO -0.17 0.10 0.14 -1.28 0.00 0.00 0.00 178.15 176.94 2d9i h SER 72 N 0.57 0.13 -0.42 1.72 0.87 -1.02 -0.71 113.55 114.71 2d9i h SER 72 Ca 0.59 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 2d9i h SER 72 Cb 1.18 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2d9i h SER 72 CO -0.36 0.11 0.00 1.41 -0.53 0.00 0.00 176.83 177.46 2d9i n HIS 73 N -5.02 0.56 -3.60 2.24 8.25 -0.06 -4.92 115.22 112.66 2d9i n HIS 73 Ca 0.03 -0.28 -0.22 0.00 -0.26 0.00 0.00 57.72 56.99 2d9i n HIS 73 Cb 0.16 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.33 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 0.78 -3.67 -4.64 0.41 7.64 0.38 -4.94 113.62 109.58 2d9i n SER 74 Ca 0.15 -0.65 -0.42 0.00 1.01 0.00 0.00 58.87 58.96 2d9i n SER 74 Cb 0.38 -4.73 -0.04 0.00 -1.01 0.00 0.00 64.21 58.81 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 -3.39 3.30 0.31 1.43 0.08 0.07 -4.97 117.98 114.80 2d9i s PHE 75 Ca 0.28 1.13 -0.29 0.00 0.12 0.00 0.00 56.93 58.17 2d9i s PHE 75 Cb -0.13 -3.08 -0.10 0.00 -0.57 0.00 0.00 43.02 39.14 2d9i s PHE 75 CO 0.76 -0.42 1.20 0.50 -0.10 0.00 0.00 175.22 177.16 2d9i s ARG 76 N 2.88 4.49 0.14 0.44 3.52 -1.26 -4.58 118.95 124.58 2d9i s ARG 76 Ca 0.35 2.00 -0.25 0.00 -0.13 0.00 0.00 55.73 57.71 2d9i s ARG 76 Cb -0.15 -3.12 0.07 0.00 -1.56 0.00 0.00 34.95 30.18 2d9i s ARG 76 CO 0.08 0.01 0.93 -0.59 -0.81 0.00 0.00 175.30 174.92 2d9i s PHE 77 N -1.16 -0.17 -0.11 5.12 -0.71 -1.26 -1.16 117.98 118.54 2d9i s PHE 77 Ca 0.47 -0.12 -0.09 0.00 -1.04 0.00 0.00 56.93 56.15 2d9i s PHE 77 Cb -0.36 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2d9i s PHE 77 CO 0.47 -0.82 0.28 -1.12 -1.34 0.00 0.00 175.22 172.69 2d9i s SER 78 N -2.88 -0.30 -0.56 1.98 0.01 0.13 -4.97 113.70 107.11 2d9i s SER 78 Ca 0.11 0.57 -0.22 0.00 1.31 0.00 0.00 55.95 57.72 2d9i s SER 78 Cb -0.02 0.54 0.06 0.00 0.21 0.00 0.00 66.02 66.81 2d9i s SER 78 CO 0.01 -0.12 0.83 -0.70 0.41 0.00 0.00 173.24 173.67 2d9i s GLU 79 N 0.45 3.20 -0.03 12.44 2.12 -1.26 -2.25 118.70 133.36 2d9i s GLU 79 Ca -0.02 -0.66 0.20 0.00 0.36 0.00 0.00 54.97 54.84 2d9i s GLU 79 Cb -0.04 -4.12 -0.24 0.00 0.26 0.00 0.00 34.13 29.99 2d9i s GLU 79 CO -0.02 -1.47 0.50 0.44 -0.54 0.00 0.00 175.26 174.17 2d9i n ILE 80 N 5.90 0.64 -4.11 -3.70 -5.35 -1.26 -4.97 119.36 106.51 2d9i n ILE 80 Ca -0.03 -0.63 -0.13 0.00 -0.27 0.00 0.00 62.75 61.68 2d9i n ILE 80 Cb 0.46 -0.29 -0.11 0.00 -1.74 0.00 0.00 39.64 37.96 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 -3.13 0.67 0.00 6.28 1.02 -1.26 -5.02 119.74 118.30 2d9i s LYS 81 Ca -0.07 -0.95 0.11 0.00 0.02 0.00 0.00 55.97 55.09 2d9i s LYS 81 Cb 0.10 -0.38 0.67 0.00 -0.52 0.00 0.00 37.83 37.71 2d9i s LYS 81 CO 0.86 0.06 1.10 -0.35 -0.92 0.00 0.00 175.35 176.10 2d9i n PRO 82 N 1.02 0.49 -0.28 -1.68 -0.04 -1.26 -2.62 135.00 130.63 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 0.56 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.44 3.15 0.55 0.00 -1.26 -4.83 105.19 102.35 2d9i n GLY 83 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.61 0.69 -0.31 0.00 1.43 0.10 -4.19 118.68 113.79 2d9i s LEU 85 Ca 0.06 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 2d9i s LEU 85 Cb -0.00 -0.24 -0.00 0.00 0.03 0.00 0.00 46.19 45.98 2d9i s LEU 85 CO -0.02 -0.17 0.14 -0.75 0.23 0.00 0.00 176.35 175.77 2d9i s LYS 86 N 1.62 3.30 -0.07 1.70 2.20 -0.95 -0.02 119.74 127.52 2d9i s LYS 86 Ca -0.01 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 2d9i s LYS 86 Cb -0.13 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2d9i s LYS 86 CO -0.03 -0.41 -0.14 0.08 -0.36 0.00 0.00 175.35 174.49 2d9i s VAL 87 N 1.59 3.08 -0.33 4.02 1.01 -0.52 0.18 120.40 129.43 2d9i s VAL 87 Ca 0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 2d9i s VAL 87 Cb -0.17 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2d9i s VAL 87 CO 0.05 0.58 0.58 -0.04 0.00 0.00 0.00 175.10 176.27 2d9i s MET 88 N -0.51 3.75 0.04 2.72 1.00 -0.31 -0.91 119.30 125.07 2d9i s MET 88 Ca 0.07 0.06 -0.30 0.00 0.00 0.00 0.00 55.69 55.52 2d9i s MET 88 Cb -0.12 -3.78 -0.07 0.00 0.00 0.00 0.00 34.83 30.86 2d9i s MET 88 CO 0.02 -0.63 1.62 -0.51 0.00 0.00 0.00 175.02 175.52 2d9i s LEU 89 N 2.54 4.35 -0.00 -0.03 1.43 -0.97 -4.53 118.68 121.47 2d9i s LEU 89 Ca 0.22 2.39 -0.22 0.00 -1.03 0.00 0.00 54.13 55.50 2d9i s LEU 89 Cb -0.15 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2d9i s LEU 89 CO 0.13 -0.87 0.65 -1.59 0.23 0.00 0.00 176.35 174.90 2d9i s LYS 90 N 2.86 4.38 -0.36 1.70 -2.85 -1.26 -4.93 119.74 119.27 2d9i s LYS 90 Ca 0.73 0.83 -0.28 0.00 -1.00 0.00 0.00 55.97 56.24 2d9i s LYS 90 Cb -0.37 -3.36 -0.02 0.00 -2.06 0.00 0.00 37.83 32.02 2d9i s LYS 90 CO 0.31 0.30 1.76 -1.54 0.10 0.00 0.00 175.35 176.29 2d9i s SER 91 N -0.01 5.88 -0.02 0.03 1.04 -1.26 -4.97 113.70 114.40 2d9i s SER 91 Ca 0.34 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 2d9i s SER 91 Cb -0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2d9i s SER 91 CO 0.19 -1.74 0.06 -0.83 0.98 0.00 0.00 173.24 171.90 2d9i s GLY 92 N 6.04 0.01 0.00 7.32 0.00 -1.26 -5.01 107.32 114.41 2d9i s GLY 92 Ca 0.77 0.02 0.12 0.00 0.00 0.00 0.00 44.72 45.63 2d9i s GLY 92 CO 0.32 -0.03 1.14 -1.55 0.00 0.00 0.00 173.10 172.99 2d9i n PRO 93 N 2.59 0.49 -2.92 2.90 -0.04 -1.26 -4.83 135.00 131.92 2d9i n PRO 93 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 2d9i n PRO 93 Cb 0.58 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.88 -2.54 0.14 3.54 2.88 -1.26 -4.93 113.62 110.57 2d9i n SER 94 Ca 0.09 -0.37 -0.01 0.00 -1.33 0.00 0.00 58.87 57.26 2d9i n SER 94 Cb 0.04 -3.29 0.21 0.00 -0.75 0.00 0.00 64.21 60.43 2d9i n SER 94 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2d9i h SER 95 N -1.25 0.03 0.00 -3.46 0.02 -2.03 -3.56 113.55 103.31 2d9i h SER 95 Ca -0.35 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2d9i h SER 95 Cb 1.21 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2d9i h SER 95 CO 0.31 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.18