#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d86 s SER 2 N 0.00 7.00 -0.29 1.61 0.01 -1.26 -5.05 113.70 115.72 2d86 s SER 2 Ca 0.00 1.46 -0.12 0.00 1.31 0.00 0.00 55.95 58.60 2d86 s SER 2 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2d86 s SER 2 CO 0.00 -0.09 0.22 -0.55 0.41 0.00 0.00 173.24 173.23 2d86 s SER 3 N -1.88 6.06 0.96 2.44 0.15 -1.26 -5.08 113.70 115.08 2d86 s SER 3 Ca 0.49 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 57.05 2d86 s SER 3 Cb -0.14 -2.13 0.10 0.00 -1.71 0.00 0.00 66.02 62.14 2d86 s SER 3 CO 0.19 -0.09 0.62 0.61 1.20 0.00 0.00 173.24 175.77 2d86 n GLY 4 N 5.02 -1.12 1.04 9.45 0.00 -1.26 -5.07 105.19 113.25 2d86 n GLY 4 Ca -0.13 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.17 2d86 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d86 n SER 5 N -3.37 0.94 -4.71 1.61 2.88 -1.26 -5.03 113.62 104.69 2d86 n SER 5 Ca 0.08 0.12 -0.65 0.00 -1.33 0.00 0.00 58.87 57.09 2d86 n SER 5 Cb 0.27 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 2d86 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d86 n SER 6 N -3.42 1.26 0.00 -3.46 3.41 -1.26 -4.85 113.62 105.30 2d86 n SER 6 Ca -0.00 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2d86 n SER 6 Cb 0.08 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2d86 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d86 n GLY 7 N 3.72 -3.16 3.56 5.00 0.00 -1.26 -4.16 105.19 108.89 2d86 n GLY 7 Ca 0.29 0.68 -0.40 0.00 0.00 0.00 0.00 46.02 46.59 2d86 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d86 s MET 8 N -0.95 3.69 0.65 1.61 -2.45 -1.26 -5.07 119.30 115.51 2d86 s MET 8 Ca 0.00 -0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 53.91 2d86 s MET 8 Cb 0.00 -3.76 -0.01 0.00 1.25 0.00 0.00 34.83 32.32 2d86 s MET 8 CO 0.00 -0.40 1.07 -1.21 1.05 0.00 0.00 175.02 175.53 2d86 s GLU 9 N 1.89 3.04 0.00 4.11 0.41 -1.26 -4.91 118.70 121.98 2d86 s GLU 9 Ca 0.10 1.13 0.15 0.00 -0.41 0.00 0.00 54.97 55.94 2d86 s GLU 9 Cb -0.17 -2.00 0.89 0.00 -1.78 0.00 0.00 34.13 31.08 2d86 s GLU 9 CO 0.11 -1.03 1.30 -0.35 -0.49 0.00 0.00 175.26 174.80 2d86 n PRO 10 N -2.59 0.49 -0.07 0.39 -0.04 -1.26 -2.54 135.00 129.38 2d86 n PRO 10 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2d86 n PRO 10 Cb 0.53 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2d86 n PRO 10 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2d86 n TRP 11 N -0.98 0.51 -0.12 0.54 4.27 -1.26 -3.62 117.44 116.79 2d86 n TRP 11 Ca 0.11 0.13 -0.04 0.00 -3.89 0.00 0.00 57.50 53.80 2d86 n TRP 11 Cb 0.05 -1.07 0.03 0.00 -1.36 0.00 0.00 31.31 28.96 2d86 n TRP 11 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 2d86 h LYS 12 N 0.02 0.10 -0.05 -2.67 1.57 -1.88 -2.29 116.57 111.37 2d86 h LYS 12 Ca -0.49 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 2d86 h LYS 12 Cb 2.02 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 2d86 h LYS 12 CO 0.01 0.06 -0.03 1.96 -0.57 0.00 0.00 179.45 180.88 2d86 h GLN 13 N 0.10 0.10 -0.96 3.15 4.20 -1.77 -3.19 115.11 116.74 2d86 h GLN 13 Ca 0.20 -0.05 0.27 0.00 0.06 0.00 0.00 58.65 59.13 2d86 h GLN 13 Cb 0.28 -0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.89 2d86 h GLN 13 CO -0.33 0.53 0.09 0.00 -0.67 0.00 0.00 178.83 178.45 2d86 h ALA 15 N 1.95 1.29 0.17 0.00 0.00 -1.41 -1.17 119.26 120.08 2d86 h ALA 15 Ca 0.60 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.82 2d86 h ALA 15 Cb 1.27 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2d86 h ALA 15 CO -0.87 -0.60 -0.16 1.96 0.00 0.00 0.00 179.25 179.59 2d86 h GLN 16 N 0.04 -0.31 -1.00 0.00 1.08 -0.39 -1.34 115.11 113.19 2d86 h GLN 16 Ca 0.62 0.02 0.37 0.00 -1.45 0.00 0.00 58.65 58.21 2d86 h GLN 16 Cb 1.32 0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 28.66 2d86 h GLN 16 CO -0.86 -0.20 0.54 2.35 -0.95 0.00 0.00 178.83 179.70 2d86 h TRP 17 N -0.32 0.84 0.24 2.96 7.01 -1.32 0.33 115.95 125.70 2d86 h TRP 17 Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2d86 h TRP 17 Cb 0.27 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2d86 h TRP 17 CO -0.11 -0.35 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.01 2d86 h LEU 18 N 0.14 -0.27 -1.37 0.65 3.38 -0.86 0.38 115.31 117.36 2d86 h LEU 18 Ca 0.79 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.79 2d86 h LEU 18 Cb 1.98 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 2d86 h LEU 18 CO -0.71 -0.12 0.50 0.40 0.09 0.00 0.00 178.44 178.60 2d86 h ILE 19 N -0.40 0.97 0.01 1.22 2.04 0.74 -0.98 117.51 121.12 2d86 h ILE 19 Ca -0.03 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.38 2d86 h ILE 19 Cb 0.31 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2d86 h ILE 19 CO 0.05 0.13 -0.93 0.45 0.00 0.00 0.00 178.15 177.86 2d86 h HIS 20 N 0.73 0.10 0.00 1.37 3.86 -0.90 -3.08 115.15 117.22 2d86 h HIS 20 Ca 0.34 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2d86 h HIS 20 Cb 0.38 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2d86 h HIS 20 CO -0.00 0.95 0.00 0.00 0.86 0.00 0.00 177.93 179.74 2d86 n LYS 22 N -0.97 -3.92 0.00 0.00 4.76 -1.07 -4.69 118.16 112.27 2d86 n LYS 22 Ca 0.14 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2d86 n LYS 22 Cb 0.06 -4.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.71 2d86 n LYS 22 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2d86 n VAL 23 N -2.90 0.00 -4.30 -0.18 0.24 -1.05 -4.88 118.33 105.27 2d86 n VAL 23 Ca -0.17 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.94 2d86 n VAL 23 Cb 0.60 -0.57 -0.13 0.00 -1.47 0.00 0.00 33.84 32.27 2d86 n VAL 23 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2d86 s LEU 24 N -2.74 2.20 0.66 1.34 1.43 -1.24 -4.99 118.68 115.34 2d86 s LEU 24 Ca 0.00 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2d86 s LEU 24 Cb 0.00 -0.56 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 2d86 s LEU 24 CO 0.00 0.00 1.11 -2.16 0.23 0.00 0.00 176.35 175.53 2d86 s PRO 25 N -1.27 2.81 0.47 1.29 0.04 -1.26 -4.25 135.00 132.83 2d86 s PRO 25 Ca 0.00 1.40 0.21 0.00 0.04 0.00 0.00 61.00 62.65 2d86 s PRO 25 Cb -0.08 -1.95 1.18 0.00 0.04 0.00 0.00 34.50 33.68 2d86 s PRO 25 CO 0.01 -1.24 2.00 1.79 0.04 0.00 0.00 177.00 179.60 2d86 h THR 26 N 0.06 0.84 -0.41 1.26 1.35 -2.01 -2.19 112.91 111.81 2d86 h THR 26 Ca -0.47 -0.72 -0.09 0.00 -0.55 0.00 0.00 66.41 64.59 2d86 h THR 26 Cb 1.25 1.42 -0.05 0.00 -1.73 0.00 0.00 68.15 69.04 2d86 h THR 26 CO 0.54 0.18 0.05 0.59 -0.25 0.00 0.00 175.52 176.63 2d86 n ASN 27 N -3.88 3.94 -3.65 5.36 4.13 -1.26 -4.93 115.26 114.97 2d86 n ASN 27 Ca -0.02 -3.21 -0.18 0.00 1.68 0.00 0.00 54.58 52.84 2d86 n ASN 27 Cb 0.28 -0.62 0.14 0.00 -1.54 0.00 0.00 39.78 38.04 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2d86 n HIS 28 N -0.49 -2.23 0.43 3.10 -0.00 -0.82 -4.89 115.22 110.31 2d86 n HIS 28 Ca 0.29 0.04 0.12 0.00 0.46 0.00 0.00 57.72 58.63 2d86 n HIS 28 Cb 1.06 -1.39 0.16 0.00 -0.12 0.00 0.00 29.99 29.69 2d86 n HIS 28 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2d86 h ARG 29 N -2.58 0.00 0.00 1.57 -0.00 -1.96 -3.28 114.38 108.13 2d86 h ARG 29 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 2d86 h ARG 29 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.75 2d86 h ARG 29 CO 0.16 0.00 -0.14 1.33 -0.00 0.00 0.00 179.97 181.32 2d86 n VAL 30 N -2.36 0.39 0.16 0.08 0.24 -1.26 -3.32 118.33 112.26 2d86 n VAL 30 Ca 0.03 -0.21 0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2d86 n VAL 30 Cb 0.47 -0.44 0.08 0.00 -1.47 0.00 0.00 33.84 32.48 2d86 n VAL 30 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2d86 h THR 31 N 0.00 0.25 -3.84 3.34 1.35 -1.90 -3.45 112.91 108.66 2d86 h THR 31 Ca 0.00 -1.38 -0.56 0.00 -0.55 0.00 0.00 66.41 63.91 2d86 h THR 31 Cb 0.67 2.00 0.16 0.00 -1.73 0.00 0.00 68.15 69.26 2d86 h THR 31 CO 0.00 0.14 0.31 0.79 -0.25 0.00 0.00 175.52 176.52 2d86 n TRP 32 N -3.02 1.36 0.43 4.73 7.02 -1.21 -4.88 117.44 121.87 2d86 n TRP 32 Ca 0.01 0.43 0.13 0.00 -1.02 0.00 0.00 57.50 57.05 2d86 n TRP 32 Cb 0.61 -2.20 0.48 0.00 -2.42 0.00 0.00 31.31 27.78 2d86 n TRP 32 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 2d86 h ASP 33 N 0.50 0.00 -0.60 -0.99 3.04 -1.91 -2.69 116.42 113.77 2d86 h ASP 33 Ca -0.50 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.22 2d86 h ASP 33 Cb 1.35 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.60 2d86 h ASP 33 CO 0.52 0.00 0.09 -0.24 -2.04 0.00 0.00 179.24 177.57 2d86 n SER 34 N -2.35 5.27 -4.94 4.15 2.88 -1.26 -4.96 113.62 112.40 2d86 n SER 34 Ca 0.03 -3.05 -0.25 0.00 -1.33 0.00 0.00 58.87 54.27 2d86 n SER 34 Cb 0.29 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.04 2d86 n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d86 s ALA 35 N -2.87 3.73 0.09 -1.46 0.00 -1.02 -5.12 121.76 115.12 2d86 s ALA 35 Ca 0.54 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2d86 s ALA 35 Cb 0.42 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2d86 s ALA 35 CO 0.14 0.10 -0.00 -0.65 0.00 0.00 0.00 175.76 175.35 2d86 s GLN 36 N -4.06 0.78 0.26 0.00 -0.21 -1.26 -5.04 119.66 110.12 2d86 s GLN 36 Ca 0.39 -1.33 -0.06 0.00 0.02 0.00 0.00 55.36 54.39 2d86 s GLN 36 Cb -0.10 0.15 0.46 0.00 1.00 0.00 0.00 33.01 34.52 2d86 s GLN 36 CO 0.34 -0.15 1.40 1.33 -2.12 0.00 0.00 175.29 176.08 2d86 n VAL 37 N 0.00 -0.38 -0.21 1.09 0.24 -1.26 -0.64 118.33 117.17 2d86 n VAL 37 Ca -0.10 2.03 -0.09 0.00 -2.04 0.00 0.00 64.34 64.14 2d86 n VAL 37 Cb 0.62 -2.84 -0.07 0.00 -1.47 0.00 0.00 33.84 30.07 2d86 n VAL 37 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2d86 h PHE 38 N 0.00 -1.35 -0.92 6.34 3.57 -1.96 0.39 116.94 123.00 2d86 h PHE 38 Ca 0.45 0.08 0.10 0.00 3.53 0.00 0.00 57.97 62.13 2d86 h PHE 38 Cb 0.74 0.66 -0.12 0.00 2.79 0.00 0.00 35.95 40.02 2d86 h PHE 38 CO -0.65 -0.32 -0.50 -3.47 -2.23 0.00 0.00 178.31 171.14 2d86 n ASP 39 N -4.69 -0.89 0.27 0.41 2.03 0.19 0.23 116.55 114.10 2d86 n ASP 39 Ca -0.00 1.64 0.13 0.00 0.52 0.00 0.00 54.79 57.07 2d86 n ASP 39 Cb 0.22 -0.25 0.74 0.00 -0.72 0.00 0.00 41.12 41.11 2d86 n ASP 39 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2d86 h LEU 40 N 0.00 0.00 -0.12 -2.67 5.85 -1.21 -1.82 115.31 115.33 2d86 h LEU 40 Ca 0.19 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2d86 h LEU 40 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2d86 h LEU 40 CO -0.88 0.11 -0.60 0.00 -0.34 0.00 0.00 178.44 176.73 2d86 h ALA 41 N 1.89 0.64 0.21 1.25 0.00 0.72 -3.32 119.26 120.65 2d86 h ALA 41 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2d86 h ALA 41 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2d86 h ALA 41 CO 0.01 0.75 -0.10 1.96 0.00 0.00 0.00 179.25 181.88 2d86 h GLN 42 N 0.00 -0.27 -1.04 0.00 4.20 0.13 0.40 115.11 118.53 2d86 h GLN 42 Ca -0.01 0.02 0.30 0.00 0.06 0.00 0.00 58.65 59.02 2d86 h GLN 42 Cb 1.41 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.21 2d86 h GLN 42 CO 0.08 0.05 0.96 0.00 -0.67 0.00 0.00 178.83 179.25 2d86 h THR 43 N -0.97 0.19 0.00 -0.54 1.03 -1.63 0.75 112.91 111.73 2d86 h THR 43 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.24 2d86 h THR 43 Cb 0.45 0.27 -0.03 0.00 -1.07 0.00 0.00 68.15 67.77 2d86 h THR 43 CO 0.05 0.00 -1.99 0.18 -0.01 0.00 0.00 175.52 173.74 2d86 n LEU 44 N -3.68 0.00 -0.46 0.00 4.77 -1.21 -4.42 117.00 112.00 2d86 n LEU 44 Ca 0.23 0.00 0.40 0.00 -0.03 0.00 0.00 56.01 56.60 2d86 n LEU 44 Cb 1.30 0.18 0.73 0.00 -2.33 0.00 0.00 43.42 43.29 2d86 n LEU 44 CO 0.31 0.18 1.35 -0.09 -1.33 0.00 0.00 177.39 177.81 2d86 h ARG 45 N 0.00 0.06 0.20 3.23 2.43 0.50 0.16 114.38 120.96 2d86 h ARG 45 Ca -0.20 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2d86 h ARG 45 Cb 1.36 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2d86 h ARG 45 CO 0.01 0.04 -0.10 0.38 -1.51 0.00 0.00 179.97 178.79 2d86 h ASP 46 N 0.06 -0.23 0.00 -3.80 2.03 -1.76 -3.40 116.42 109.32 2d86 h ASP 46 Ca 0.73 -0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 2d86 h ASP 46 Cb 2.70 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 41.25 2d86 h ASP 46 CO -0.12 0.23 0.00 0.61 -1.03 0.00 0.00 179.24 178.93 2d86 n GLY 47 N 0.15 1.35 0.11 7.15 0.00 0.55 -4.28 105.19 110.22 2d86 n GLY 47 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2d86 n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d86 n VAL 48 N -1.28 1.50 -0.03 1.61 0.31 -1.26 -4.01 118.33 115.17 2d86 n VAL 48 Ca 0.00 -0.73 -0.11 0.00 -0.01 0.00 0.00 64.34 63.48 2d86 n VAL 48 Cb 0.00 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 2d86 n VAL 48 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2d86 h LEU 49 N 0.01 -0.05 -0.81 7.52 5.85 -1.89 -3.30 115.31 122.64 2d86 h LEU 49 Ca -0.51 -0.62 0.11 0.00 0.84 0.00 0.00 57.88 57.70 2d86 h LEU 49 Cb 2.08 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 43.00 2d86 h LEU 49 CO 0.00 0.69 -0.37 0.18 -0.34 0.00 0.00 178.44 178.60 2d86 n LEU 50 N -4.75 -0.64 -0.33 2.25 4.77 -1.26 0.19 117.00 117.23 2d86 n LEU 50 Ca -0.08 1.42 0.09 0.00 -0.03 0.00 0.00 56.01 57.41 2d86 n LEU 50 Cb 0.33 -0.28 0.26 0.00 -2.33 0.00 0.00 43.42 41.40 2d86 n LEU 50 CO 0.27 -1.23 1.16 0.00 -1.33 0.00 0.00 177.39 176.26 2d86 h GLN 52 N 0.75 -0.23 -0.48 0.00 4.20 0.21 -2.64 115.11 116.92 2d86 h GLN 52 Ca 0.51 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.28 2d86 h GLN 52 Cb 0.70 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.48 2d86 h GLN 52 CO -0.35 -0.15 -0.28 -0.11 -0.67 0.00 0.00 178.83 177.27 2d86 n LEU 53 N -5.26 -0.51 -0.32 1.46 7.94 -0.67 0.51 117.00 120.16 2d86 n LEU 53 Ca -0.06 1.30 0.10 0.00 -1.11 0.00 0.00 56.01 56.25 2d86 n LEU 53 Cb 0.18 -0.34 0.28 0.00 0.53 0.00 0.00 43.42 44.07 2d86 n LEU 53 CO 0.28 -0.92 1.13 -0.07 -1.11 0.00 0.00 177.39 176.70 2d86 h LEU 54 N 0.00 0.61 -1.47 -1.96 3.38 -1.55 0.32 115.31 114.64 2d86 h LEU 54 Ca 0.08 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2d86 h LEU 54 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2d86 h LEU 54 CO -0.45 0.21 -0.17 0.78 0.09 0.00 0.00 178.44 178.91 2d86 h ASN 55 N 0.65 0.13 -0.10 -0.43 2.35 0.43 -0.16 115.58 118.45 2d86 h ASN 55 Ca 0.53 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 56.13 2d86 h ASN 55 Cb 0.82 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2d86 h ASN 55 CO -0.40 0.31 -0.41 0.78 -1.65 0.00 0.00 177.43 176.07 2d86 h ASN 56 N 0.13 0.54 0.27 5.81 2.35 0.37 -3.34 115.58 121.71 2d86 h ASN 56 Ca 0.03 -0.62 -0.01 0.00 -0.55 0.00 0.00 56.30 55.14 2d86 h ASN 56 Cb 0.38 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2d86 h ASN 56 CO 0.02 1.07 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.68 2d86 h LEU 57 N 0.04 -0.30 -9.16 1.61 3.38 -0.98 -3.45 115.31 106.44 2d86 h LEU 57 Ca -0.02 -0.21 -0.64 0.00 0.09 0.00 0.00 57.88 57.10 2d86 h LEU 57 Cb 1.04 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.71 2d86 h LEU 57 CO 0.09 0.08 -0.78 -0.60 0.09 0.00 0.00 178.44 177.32 2d86 s ARG 58 N -4.51 1.71 0.20 1.13 3.52 -0.09 -4.87 118.95 116.04 2d86 s ARG 58 Ca -0.14 -1.49 -0.16 0.00 -0.13 0.00 0.00 55.73 53.81 2d86 s ARG 58 Cb 0.02 -1.93 -0.08 0.00 -1.56 0.00 0.00 34.95 31.40 2d86 s ARG 58 CO 0.54 0.40 0.64 0.00 -0.81 0.00 0.00 175.30 176.07 2d86 s ALA 59 N -1.83 3.49 -1.54 6.12 0.00 -1.26 -4.00 121.76 122.73 2d86 s ALA 59 Ca 0.24 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 2d86 s ALA 59 Cb -0.08 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2d86 s ALA 59 CO 0.12 0.39 0.53 0.72 0.00 0.00 0.00 175.76 177.53 2d86 n HIS 60 N 0.61 -1.82 0.07 0.00 8.25 -1.26 -4.90 115.22 116.17 2d86 n HIS 60 Ca -0.03 0.46 -0.21 0.00 -0.26 0.00 0.00 57.72 57.68 2d86 n HIS 60 Cb 0.52 -4.37 -0.15 0.00 1.12 0.00 0.00 29.99 27.10 2d86 n HIS 60 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2d86 h SER 61 N -1.22 0.57 -2.66 0.41 0.02 -1.85 -3.46 113.55 105.36 2d86 h SER 61 Ca -0.52 -0.94 -0.12 0.00 -0.84 0.00 0.00 61.79 59.37 2d86 h SER 61 Cb 1.36 -0.19 -0.28 0.00 0.14 0.00 0.00 62.40 63.43 2d86 h SER 61 CO 0.56 1.47 -0.39 -0.63 -1.14 0.00 0.00 176.83 176.70 2d86 s ILE 62 N -2.49 -0.53 -0.36 3.27 1.01 -1.26 -4.79 121.20 116.05 2d86 s ILE 62 Ca -0.12 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2d86 s ILE 62 Cb 0.02 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2d86 s ILE 62 CO 0.86 0.08 1.45 0.21 0.00 0.00 0.00 174.94 177.54 2d86 s ASN 63 N 2.43 6.37 0.38 3.58 2.47 -1.26 -4.88 114.94 124.04 2d86 s ASN 63 Ca -0.02 1.05 0.18 0.00 0.42 0.00 0.00 52.86 54.49 2d86 s ASN 63 Cb -0.12 -2.54 1.10 0.00 -1.45 0.00 0.00 41.25 38.24 2d86 s ASN 63 CO -0.12 -1.36 1.74 -0.07 -3.72 0.00 0.00 177.10 173.57 2d86 h LEU 64 N 11.99 0.47 -0.98 3.21 3.38 -1.98 0.37 115.31 131.77 2d86 h LEU 64 Ca -0.29 0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2d86 h LEU 64 Cb 1.12 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2d86 h LEU 64 CO 1.06 0.05 0.63 0.11 0.09 0.00 0.00 178.44 180.38 2d86 h LYS 65 N 0.39 1.15 0.00 1.13 6.56 -2.03 -0.59 116.57 123.19 2d86 h LYS 65 Ca 0.64 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 60.14 2d86 h LYS 65 Cb 1.57 -0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2d86 h LYS 65 CO -0.36 0.76 -0.09 0.93 -2.06 0.00 0.00 179.45 178.63 2d86 h GLU 66 N 1.19 0.00 -5.75 3.15 5.08 -0.65 -3.42 114.58 114.18 2d86 h GLU 66 Ca 0.41 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 58.10 2d86 h GLU 66 Cb 0.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 2d86 h GLU 66 CO -0.15 0.09 -0.55 0.96 -1.00 0.00 0.00 179.01 178.36 2d86 s ILE 67 N -4.61 4.88 -0.88 3.13 -4.36 -0.23 -5.03 121.20 114.11 2d86 s ILE 67 Ca -0.04 -0.03 -0.25 0.00 -0.26 0.00 0.00 60.65 60.08 2d86 s ILE 67 Cb 0.15 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 2d86 s ILE 67 CO 0.63 0.60 1.90 0.20 0.24 0.00 0.00 174.94 178.51 2d86 s ASN 68 N -0.81 5.25 0.54 4.36 0.01 -1.26 -4.78 114.94 118.24 2d86 s ASN 68 Ca 0.13 -0.62 0.18 0.00 -0.71 0.00 0.00 52.86 51.84 2d86 s ASN 68 Cb -0.12 -2.56 1.01 0.00 0.41 0.00 0.00 41.25 39.99 2d86 s ASN 68 CO 0.03 -2.63 1.52 -0.07 -1.51 0.00 0.00 177.10 174.44 2d86 h LEU 69 N 17.39 0.00 -6.98 0.60 3.38 -1.91 -3.11 115.31 124.68 2d86 h LEU 69 Ca 0.07 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.42 2d86 h LEU 69 Cb 1.02 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.37 2d86 h LEU 69 CO 1.22 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 179.03 2d86 s ARG 70 N -3.77 1.50 0.04 1.13 1.70 -1.26 -4.94 118.95 113.35 2d86 s ARG 70 Ca -0.02 -2.28 0.16 0.00 -0.47 0.00 0.00 55.73 53.11 2d86 s ARG 70 Cb 0.05 -2.51 0.67 0.00 -0.57 0.00 0.00 34.95 32.59 2d86 s ARG 70 CO 0.17 -1.20 1.50 -0.35 -1.08 0.00 0.00 175.30 174.34 2d86 n PRO 71 N 3.19 0.03 -4.35 3.89 -0.04 -1.18 -4.88 135.00 131.67 2d86 n PRO 71 Ca 0.12 0.28 -0.36 0.00 -0.04 0.00 0.00 63.50 63.50 2d86 n PRO 71 Cb 0.36 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 2d86 n PRO 71 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2d86 n GLN 72 N -1.62 -1.61 -4.02 0.54 6.02 -1.26 -0.38 117.38 115.04 2d86 n GLN 72 Ca 0.03 0.21 -0.32 0.00 -0.01 0.00 0.00 57.00 56.91 2d86 n GLN 72 Cb 0.18 -4.48 -0.02 0.00 1.02 0.00 0.00 30.24 26.94 2d86 n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2d86 n MET 73 N -4.31 -1.70 -4.79 -1.09 2.81 -1.26 -4.95 117.12 101.82 2d86 n MET 73 Ca -0.06 0.27 -0.31 0.00 -1.81 0.00 0.00 57.70 55.78 2d86 n MET 73 Cb 0.55 -3.81 -0.13 0.00 -0.71 0.00 0.00 33.22 29.13 2d86 n MET 73 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2d86 s SER 74 N -4.04 3.79 0.09 7.83 0.15 0.48 -5.03 113.70 116.98 2d86 s SER 74 Ca 0.19 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.34 2d86 s SER 74 Cb -0.09 -0.65 -0.14 0.00 -1.71 0.00 0.00 66.02 63.43 2d86 s SER 74 CO 0.93 0.29 1.32 -0.61 1.20 0.00 0.00 173.24 176.37 2d86 h GLN 75 N 4.86 0.75 -0.26 5.44 4.15 -1.92 0.40 115.11 128.52 2d86 h GLN 75 Ca -0.47 -0.55 -0.02 0.00 0.77 0.00 0.00 58.65 58.38 2d86 h GLN 75 Cb 1.15 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2d86 h GLN 75 CO 0.48 1.17 0.08 0.35 -1.93 0.00 0.00 178.83 178.99 2d86 h PHE 76 N 0.47 0.42 0.30 3.99 3.57 -1.96 -1.49 116.94 122.24 2d86 h PHE 76 Ca -0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2d86 h PHE 76 Cb 1.23 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2d86 h PHE 76 CO 0.09 0.46 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.41 2d86 h LEU 77 N 0.26 -0.35 -0.43 0.59 3.38 -1.86 -2.64 115.31 114.26 2d86 h LEU 77 Ca 0.08 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2d86 h LEU 77 Cb 0.23 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 2d86 h LEU 77 CO -0.00 0.12 -0.48 0.00 0.09 0.00 0.00 178.44 178.18 2d86 h LEU 79 N -0.34 -1.09 -0.34 0.00 3.38 -1.38 -2.30 115.31 113.24 2d86 h LEU 79 Ca 0.12 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.31 2d86 h LEU 79 Cb 0.59 0.44 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2d86 h LEU 79 CO -0.60 -0.40 -0.32 0.50 0.09 0.00 0.00 178.44 177.72 2d86 h LYS 80 N -0.47 -0.27 -0.14 1.13 3.11 -0.96 -2.72 116.57 116.25 2d86 h LYS 80 Ca 0.07 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.95 2d86 h LYS 80 Cb 0.58 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.85 2d86 h LYS 80 CO -0.33 -0.18 -0.17 -0.91 -2.81 0.00 0.00 179.45 175.05 2d86 h ASN 81 N -0.28 -0.58 -0.75 4.20 2.35 -0.38 -2.09 115.58 118.05 2d86 h ASN 81 Ca 0.16 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 56.06 2d86 h ASN 81 Cb 0.53 0.24 -0.09 0.00 0.05 0.00 0.00 38.32 39.05 2d86 h ASN 81 CO -0.50 -0.12 -0.42 -0.38 -1.65 0.00 0.00 177.43 174.36 2d86 n ILE 82 N -3.54 -0.49 -0.29 2.81 5.41 -0.91 0.53 119.36 122.88 2d86 n ILE 82 Ca -0.01 1.80 -0.02 0.00 1.00 0.00 0.00 62.75 65.52 2d86 n ILE 82 Cb 0.10 -2.25 0.04 0.00 -0.71 0.00 0.00 39.64 36.82 2d86 n ILE 82 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2d86 h ARG 83 N 0.00 -0.07 -0.88 0.38 3.08 -1.14 0.15 114.38 115.89 2d86 h ARG 83 Ca 0.14 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.39 2d86 h ARG 83 Cb 0.33 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 30.23 2d86 h ARG 83 CO -0.71 -0.05 -0.15 1.15 -1.07 0.00 0.00 179.97 179.14 2d86 h THR 84 N -0.07 0.13 0.10 2.04 2.02 0.44 0.30 112.91 117.86 2d86 h THR 84 Ca 0.31 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 2d86 h THR 84 Cb 0.58 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2d86 h THR 84 CO -0.83 0.00 -0.05 0.15 0.37 0.00 0.00 175.52 175.16 2d86 h PHE 85 N 0.02 -0.13 -0.06 3.16 3.57 -0.58 -2.07 116.94 120.85 2d86 h PHE 85 Ca 0.45 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.97 2d86 h PHE 85 Cb 0.75 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2d86 h PHE 85 CO -0.62 -0.08 0.05 -0.07 -2.23 0.00 0.00 178.31 175.35 2d86 h LEU 86 N -0.14 0.00 0.41 0.59 3.38 -0.29 -2.65 115.31 116.62 2d86 h LEU 86 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2d86 h LEU 86 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2d86 h LEU 86 CO 0.02 0.00 -0.20 0.74 0.09 0.00 0.00 178.44 179.09 2d86 h THR 87 N 0.00 0.00 -0.90 0.22 2.02 0.15 -3.18 112.91 111.22 2d86 h THR 87 Ca 0.03 -0.10 0.22 0.00 0.77 0.00 0.00 66.41 67.33 2d86 h THR 87 Cb 0.12 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.41 2d86 h THR 87 CO -0.00 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.29 2d86 h ALA 88 N -1.65 1.44 -0.61 6.16 0.00 -1.35 0.29 119.26 123.53 2d86 h ALA 88 Ca -0.06 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.19 2d86 h ALA 88 Cb 0.43 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2d86 h ALA 88 CO 0.09 -0.33 0.95 0.00 0.00 0.00 0.00 179.25 179.96 2d86 n GLU 91 N -2.18 0.26 -0.17 0.00 1.02 0.46 -3.10 120.64 116.93 2d86 n GLU 91 Ca -0.09 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2d86 n GLU 91 Cb 0.57 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2d86 n GLU 91 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2d86 h THR 92 N -0.54 1.24 0.00 2.62 2.02 0.08 -3.38 112.91 114.96 2d86 h THR 92 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2d86 h THR 92 Cb 0.37 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2d86 h THR 92 CO 0.00 0.31 -0.60 0.49 0.37 0.00 0.00 175.52 176.10 2d86 n PHE 93 N -4.45 0.19 -0.37 3.16 3.01 -0.92 -5.03 117.46 113.05 2d86 n PHE 93 Ca 0.01 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2d86 n PHE 93 Cb 0.24 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 2d86 n PHE 93 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d86 n GLY 94 N 1.53 0.47 3.65 1.37 0.00 0.16 -4.91 105.19 107.45 2d86 n GLY 94 Ca -0.08 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 2d86 n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d86 s MET 95 N -1.75 2.01 -0.17 1.61 -1.94 -0.49 -4.92 119.30 113.65 2d86 s MET 95 Ca 0.00 -2.20 -0.29 0.00 -1.71 0.00 0.00 55.69 51.49 2d86 s MET 95 Cb 0.00 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.35 2d86 s MET 95 CO 0.00 -0.21 1.82 1.03 -0.01 0.00 0.00 175.02 177.65 2d86 s ARG 96 N -3.79 3.72 0.48 2.03 0.52 -1.26 -4.71 118.95 115.93 2d86 s ARG 96 Ca 0.24 1.93 0.16 0.00 -0.52 0.00 0.00 55.73 57.54 2d86 s ARG 96 Cb 0.06 -4.14 1.15 0.00 0.52 0.00 0.00 34.95 32.55 2d86 s ARG 96 CO 0.12 -1.40 2.05 -0.22 0.02 0.00 0.00 175.30 175.86 2d86 h LYS 97 N 11.65 0.22 0.00 3.54 3.11 -1.96 0.45 116.57 133.58 2d86 h LYS 97 Ca -0.38 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.40 2d86 h LYS 97 Cb 1.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 2d86 h LYS 97 CO 0.98 0.14 -0.19 0.66 -2.81 0.00 0.00 179.45 178.23 2d86 h SER 98 N 0.22 0.00 -0.07 4.20 4.64 -2.01 -2.82 113.55 117.71 2d86 h SER 98 Ca 0.17 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 2d86 h SER 98 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2d86 h SER 98 CO -0.03 0.19 -0.75 -0.33 -0.87 0.00 0.00 176.83 175.04 2d86 h GLU 99 N 0.00 0.64 -6.49 4.77 4.39 -1.29 -3.46 114.58 113.14 2d86 h GLU 99 Ca -0.00 -0.59 -0.49 0.00 0.34 0.00 0.00 59.36 58.62 2d86 h GLU 99 Cb 0.47 0.14 0.24 0.00 -0.10 0.00 0.00 28.75 29.51 2d86 h GLU 99 CO 0.02 1.20 -1.37 1.28 -1.16 0.00 0.00 179.01 178.98 2d86 n LEU 100 N -4.04 -2.39 -5.01 1.33 4.77 -1.07 -4.75 117.00 105.84 2d86 n LEU 100 Ca -0.09 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 2d86 n LEU 100 Cb 0.74 -0.91 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2d86 n LEU 100 CO 0.51 -3.48 0.45 0.72 -1.33 0.00 0.00 177.39 174.25 2d86 s PHE 101 N -2.20 1.49 0.01 -1.77 -0.12 -1.26 -5.03 117.98 109.09 2d86 s PHE 101 Ca 0.50 -0.51 -0.12 0.00 -0.05 0.00 0.00 56.93 56.76 2d86 s PHE 101 Cb -0.11 -2.60 -0.05 0.00 -0.63 0.00 0.00 43.02 39.63 2d86 s PHE 101 CO 0.69 -1.43 0.37 -1.21 -0.05 0.00 0.00 175.22 173.58 2d86 s GLU 102 N -4.90 3.80 0.25 1.99 8.01 -1.26 -4.99 118.70 121.60 2d86 s GLU 102 Ca 0.64 0.26 -0.03 0.00 0.01 0.00 0.00 54.97 55.85 2d86 s GLU 102 Cb -0.05 -3.14 0.48 0.00 -4.31 0.00 0.00 34.13 27.11 2d86 s GLU 102 CO 0.42 0.66 1.73 0.00 0.01 0.00 0.00 175.26 178.07 2d86 h ALA 103 N 4.40 1.10 -0.04 5.21 0.00 -1.98 -2.14 119.26 125.82 2d86 h ALA 103 Ca -0.51 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2d86 h ALA 103 Cb 1.21 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2d86 h ALA 103 CO 0.63 -0.22 -0.11 0.35 0.00 0.00 0.00 179.25 179.90 2d86 h PHE 104 N 0.44 0.18 -1.38 0.00 3.57 -1.97 -2.14 116.94 115.64 2d86 h PHE 104 Ca 0.43 -0.07 0.46 0.00 3.53 0.00 0.00 57.97 62.32 2d86 h PHE 104 Cb 0.67 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.25 2d86 h PHE 104 CO -0.16 0.72 0.91 -0.25 -2.23 0.00 0.00 178.31 177.30 2d86 n ASP 105 N -4.66 0.17 -0.08 0.41 9.92 -0.82 -0.10 116.55 121.38 2d86 n ASP 105 Ca -0.08 1.24 -0.22 0.00 -0.53 0.00 0.00 54.79 55.20 2d86 n ASP 105 Cb 0.37 -0.61 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 2d86 n ASP 105 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2d86 n LEU 106 N -4.47 2.04 0.01 0.64 7.94 -1.09 -0.54 117.00 121.53 2d86 n LEU 106 Ca 0.39 0.37 -0.01 0.00 -1.11 0.00 0.00 56.01 55.65 2d86 n LEU 106 Cb 1.54 -0.99 -0.00 0.00 0.53 0.00 0.00 43.42 44.49 2d86 n LEU 106 CO 0.21 0.42 0.50 0.15 -1.11 0.00 0.00 177.39 177.56 2d86 h PHE 107 N -0.76 -0.07 0.00 1.96 3.57 0.19 -1.26 116.94 120.56 2d86 h PHE 107 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2d86 h PHE 107 Cb 1.48 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.25 2d86 h PHE 107 CO 0.08 -0.03 0.00 -3.47 -2.23 0.00 0.00 178.31 172.67 2d86 n ASP 108 N -2.58 0.00 -2.25 0.41 -0.08 -0.07 -4.85 116.55 107.13 2d86 n ASP 108 Ca -0.00 0.43 -0.15 0.00 -1.51 0.00 0.00 54.79 53.55 2d86 n ASP 108 Cb 0.02 -0.46 0.04 0.00 2.34 0.00 0.00 41.12 43.06 2d86 n ASP 108 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2d86 n VAL 109 N -1.46 -1.58 0.23 5.18 0.31 -0.48 -4.96 118.33 115.58 2d86 n VAL 109 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 2d86 n VAL 109 Cb 0.13 -2.85 -0.04 0.00 -0.91 0.00 0.00 33.84 30.17 2d86 n VAL 109 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2d86 h ARG 110 N -1.26 -0.57 -3.38 5.55 2.47 -1.01 -3.41 114.38 112.77 2d86 h ARG 110 Ca -0.36 0.04 -0.60 0.00 -1.26 0.00 0.00 59.98 57.80 2d86 h ARG 110 Cb 1.24 0.13 -0.40 0.00 -1.65 0.00 0.00 29.97 29.29 2d86 h ARG 110 CO 0.37 -0.38 -0.75 0.34 0.56 0.00 0.00 179.97 180.11 2d86 s ASP 111 N -3.01 3.89 0.20 7.04 -1.08 -1.11 -4.97 116.67 117.63 2d86 s ASP 111 Ca -0.09 -2.01 -0.03 0.00 -0.52 0.00 0.00 52.55 49.90 2d86 s ASP 111 Cb 0.01 -0.93 0.13 0.00 -1.46 0.00 0.00 42.92 40.67 2d86 s ASP 111 CO 0.26 -0.36 1.53 0.15 0.52 0.00 0.00 175.17 177.27 2d86 h PHE 112 N 7.57 0.72 -0.92 -5.34 3.57 -1.80 -3.05 116.94 117.69 2d86 h PHE 112 Ca -0.08 -0.24 0.27 0.00 3.53 0.00 0.00 57.97 61.45 2d86 h PHE 112 Cb 0.98 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2d86 h PHE 112 CO 0.41 0.96 0.68 0.78 -2.23 0.00 0.00 178.31 178.91 2d86 h GLY 113 N 1.04 0.00 1.45 2.40 0.00 -1.96 0.31 103.07 106.31 2d86 h GLY 113 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2d86 h GLY 113 CO 0.10 0.00 -0.33 0.50 0.00 0.00 0.00 176.54 176.81 2d86 h LYS 114 N 0.00 0.62 -0.10 4.80 1.57 -1.96 -2.58 116.57 118.93 2d86 h LYS 114 Ca 0.44 -0.28 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 2d86 h LYS 114 Cb 1.79 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.09 2d86 h LYS 114 CO -0.00 0.87 -0.81 0.28 -0.57 0.00 0.00 179.45 179.22 2d86 h VAL 115 N 0.52 1.32 -0.20 0.50 2.07 -0.55 -3.24 116.25 116.67 2d86 h VAL 115 Ca 0.06 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.47 2d86 h VAL 115 Cb 0.82 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2d86 h VAL 115 CO 0.07 0.65 0.12 0.40 0.02 0.00 0.00 177.57 178.82 2d86 h ILE 116 N 0.41 1.10 -0.43 4.57 2.04 -1.28 -2.99 117.51 120.93 2d86 h ILE 116 Ca -0.06 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.65 2d86 h ILE 116 Cb 1.42 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 38.30 2d86 h ILE 116 CO 0.15 0.09 -0.20 -0.08 0.00 0.00 0.00 178.15 178.11 2d86 h GLU 117 N 0.23 -0.11 -0.92 2.37 4.57 -1.52 -0.32 114.58 118.88 2d86 h GLU 117 Ca 0.07 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.53 2d86 h GLU 117 Cb 0.04 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 28.51 2d86 h GLU 117 CO -0.01 -0.07 0.26 1.15 -1.18 0.00 0.00 179.01 179.15 2d86 h THR 118 N -0.12 0.22 -0.03 0.32 2.02 -1.55 0.93 112.91 114.70 2d86 h THR 118 Ca 0.21 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 67.19 2d86 h THR 118 Cb 0.44 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2d86 h THR 118 CO -0.50 0.03 -0.65 -0.07 0.37 0.00 0.00 175.52 174.70 2d86 h LEU 119 N 0.16 0.13 -1.12 2.58 3.38 -1.11 -0.01 115.31 119.31 2d86 h LEU 119 Ca 0.61 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2d86 h LEU 119 Cb 1.31 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2d86 h LEU 119 CO -0.72 0.74 0.55 -1.28 0.09 0.00 0.00 178.44 177.82 2d86 h SER 120 N 0.08 1.00 0.35 -0.43 0.87 0.19 -2.57 113.55 113.03 2d86 h SER 120 Ca -0.01 -0.04 -0.32 0.00 -1.23 0.00 0.00 61.79 60.19 2d86 h SER 120 Cb 1.16 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 2d86 h SER 120 CO 0.09 0.74 -1.80 0.08 -0.53 0.00 0.00 176.83 175.41 2d86 h ARG 121 N 1.17 0.13 -0.52 2.24 0.11 -1.27 -3.38 114.38 112.86 2d86 h ARG 121 Ca 0.31 -0.22 0.10 0.00 0.10 0.00 0.00 59.98 60.27 2d86 h ARG 121 Cb -0.11 0.08 -0.09 0.00 1.11 0.00 0.00 29.97 30.96 2d86 h ARG 121 CO -0.06 0.84 -0.06 1.25 0.10 0.00 0.00 179.97 182.04 2d86 h LEU 122 N 0.04 -0.34 -1.60 0.08 5.85 -0.80 0.80 115.31 119.33 2d86 h LEU 122 Ca -0.33 0.14 0.43 0.00 0.84 0.00 0.00 57.88 58.96 2d86 h LEU 122 Cb 2.02 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 43.22 2d86 h LEU 122 CO 0.09 -0.12 0.95 0.77 -0.34 0.00 0.00 178.44 179.78 2d86 h SER 123 N 0.06 0.18 -0.84 1.25 4.64 -1.64 0.60 113.55 117.80 2d86 h SER 123 Ca 0.26 0.08 0.14 0.00 -0.47 0.00 0.00 61.79 61.80 2d86 h SER 123 Cb 0.40 0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 62.47 2d86 h SER 123 CO -0.48 -0.09 0.44 0.03 -0.87 0.00 0.00 176.83 175.86 2d86 h ARG 124 N 0.09 0.63 -6.01 4.77 3.08 -1.06 -3.27 114.38 112.61 2d86 h ARG 124 Ca 0.78 -0.04 -0.60 0.00 0.07 0.00 0.00 59.98 60.20 2d86 h ARG 124 Cb 2.65 -0.14 0.18 0.00 0.08 0.00 0.00 29.97 32.74 2d86 h ARG 124 CO -0.27 0.42 -1.13 0.25 -1.07 0.00 0.00 179.97 178.17 2d86 n THR 125 N -4.85 0.07 0.71 2.04 -2.24 0.21 -4.73 114.28 105.49 2d86 n THR 125 Ca 0.16 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.52 2d86 n THR 125 Cb 0.41 -0.02 0.38 0.00 -2.10 0.00 0.00 70.33 69.00 2d86 n THR 125 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2d86 n PRO 126 N 1.46 0.22 -0.00 -0.78 -0.04 -1.26 -2.69 135.00 131.91 2d86 n PRO 126 Ca 0.08 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 2d86 n PRO 126 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2d86 n PRO 126 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2d86 n ILE 127 N -1.28 1.76 -0.07 0.52 -0.00 -1.26 -2.99 119.36 116.03 2d86 n ILE 127 Ca 0.07 -0.67 -0.14 0.00 -0.00 0.00 0.00 62.75 62.01 2d86 n ILE 127 Cb 0.12 -1.65 -0.06 0.00 -0.00 0.00 0.00 39.64 38.06 2d86 n ILE 127 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2d86 h ALA 128 N 0.17 0.34 -0.36 -1.39 0.00 -1.70 -3.23 119.26 113.09 2d86 h ALA 128 Ca -0.41 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 53.93 2d86 h ALA 128 Cb 2.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2d86 h ALA 128 CO 0.08 0.37 -0.40 -0.07 0.00 0.00 0.00 179.25 179.23 2d86 h LEU 129 N 0.30 0.94 -0.98 0.00 3.38 -1.58 -3.22 115.31 114.15 2d86 h LEU 129 Ca 0.03 -0.44 0.20 0.00 0.09 0.00 0.00 57.88 57.76 2d86 h LEU 129 Cb 0.88 -0.27 -0.19 0.00 0.09 0.00 0.00 40.66 41.18 2d86 h LEU 129 CO 0.07 1.22 -0.22 0.00 0.09 0.00 0.00 178.44 179.60 2d86 n ALA 130 N -2.54 0.26 -0.25 1.53 0.00 -1.16 0.17 120.51 118.52 2d86 n ALA 130 Ca -0.02 1.08 0.10 0.00 0.00 0.00 0.00 53.44 54.60 2d86 n ALA 130 Cb 0.55 -0.66 0.37 0.00 0.00 0.00 0.00 19.45 19.71 2d86 n ALA 130 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2d86 h THR 131 N 0.00 0.89 0.00 0.00 1.35 -1.65 -3.46 112.91 110.04 2d86 h THR 131 Ca 0.48 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2d86 h THR 131 Cb 0.76 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 2d86 h THR 131 CO -1.01 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.00 2d86 n GLY 132 N -1.44 1.05 3.73 5.82 0.00 0.45 -5.08 105.19 109.73 2d86 n GLY 132 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2d86 n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d86 s ILE 133 N -2.00 4.40 0.11 -0.61 1.01 -1.26 -4.97 121.20 117.88 2d86 s ILE 133 Ca 0.00 2.05 -0.35 0.00 0.00 0.00 0.00 60.65 62.35 2d86 s ILE 133 Cb 0.00 -4.31 -0.17 0.00 0.01 0.00 0.00 42.46 37.99 2d86 s ILE 133 CO 0.00 0.34 1.16 -2.11 0.00 0.00 0.00 174.94 174.33 2d86 n ARG 134 N 2.57 0.82 -2.26 2.79 1.85 -1.26 -4.85 116.66 116.32 2d86 n ARG 134 Ca 0.02 0.29 -0.38 0.00 -1.00 0.00 0.00 57.85 56.78 2d86 n ARG 134 Cb 0.49 -1.81 -0.01 0.00 -1.05 0.00 0.00 32.46 30.07 2d86 n ARG 134 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2d86 s PRO 135 N -0.04 3.94 0.35 2.89 0.04 -1.26 -4.92 135.00 136.00 2d86 s PRO 135 Ca 0.80 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 2d86 s PRO 135 Cb -0.98 -2.58 -0.13 0.00 0.04 0.00 0.00 34.50 30.84 2d86 s PRO 135 CO 0.52 -0.42 0.68 1.19 0.04 0.00 0.00 177.00 179.01 2d86 n PHE 136 N -0.13 0.04 0.26 0.56 3.72 -1.26 -4.85 117.46 115.80 2d86 n PHE 136 Ca 0.05 0.68 0.15 0.00 -0.05 0.00 0.00 57.45 58.28 2d86 n PHE 136 Cb 0.47 -2.06 0.64 0.00 -0.94 0.00 0.00 39.48 37.59 2d86 n PHE 136 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2d86 h PRO 137 N 1.17 0.00 -6.13 -1.08 0.13 -1.96 -3.43 132.00 120.70 2d86 h PRO 137 Ca -0.38 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.15 2d86 h PRO 137 Cb 1.39 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.25 2d86 h PRO 137 CO 0.55 0.08 -0.85 0.45 -0.23 0.00 0.00 178.00 178.00 2d86 s SER 138 N -5.86 2.53 0.03 1.44 0.15 -1.26 -5.15 113.70 105.58 2d86 s SER 138 Ca 0.00 -0.51 -0.05 0.00 0.70 0.00 0.00 55.95 56.09 2d86 s SER 138 Cb 0.10 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2d86 s SER 138 CO 0.57 0.18 0.09 -0.83 1.20 0.00 0.00 173.24 174.45 2d86 s GLY 139 N -1.12 0.16 -0.53 9.45 0.00 -1.26 -4.86 107.32 109.16 2d86 s GLY 139 Ca 0.08 -0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.05 2d86 s GLY 139 CO 0.02 -0.61 1.81 2.56 0.00 0.00 0.00 173.10 176.88 2d86 s PRO 140 N -2.26 2.86 0.35 2.90 0.04 -1.26 -4.98 135.00 132.64 2d86 s PRO 140 Ca -0.08 0.81 0.07 0.00 0.04 0.00 0.00 61.00 61.84 2d86 s PRO 140 Cb -0.03 -4.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.18 2d86 s PRO 140 CO -0.03 -2.45 0.45 -1.12 0.04 0.00 0.00 177.00 173.89 2d86 s SER 141 N 7.33 5.78 -0.53 6.66 0.01 -1.26 -5.09 113.70 126.61 2d86 s SER 141 Ca 0.69 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.70 2d86 s SER 141 Cb -0.15 -1.10 0.15 0.00 0.21 0.00 0.00 66.02 65.14 2d86 s SER 141 CO 0.24 -0.46 0.35 -0.94 0.41 0.00 0.00 173.24 172.84 2d86 s SER 142 N -4.16 3.57 0.00 2.44 1.04 -1.26 -5.34 113.70 109.99 2d86 s SER 142 Ca 0.46 -3.16 0.00 0.00 0.48 0.00 0.00 55.95 53.73 2d86 s SER 142 Cb -0.09 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2d86 s SER 142 CO 0.30 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.95