#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 -0.67 -0.12 1.61 0.15 -1.26 -5.12 113.70 108.29 2d86 s SER 2 Ca 0.00 1.01 -0.38 0.00 0.70 0.00 0.00 55.95 57.29 2d86 s SER 2 Cb 0.00 0.93 -0.15 0.00 -1.71 0.00 0.00 66.02 65.09 2d86 s SER 2 CO 0.00 -0.42 1.66 -1.20 1.20 0.00 0.00 173.24 174.48 2d86 n SER 3 N 1.72 2.45 0.00 5.45 7.64 -1.26 -4.59 113.62 125.03 2d86 n SER 3 Ca -0.16 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2d86 n SER 3 Cb 0.56 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2d86 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d86 n GLY 4 N 3.76 -0.61 3.56 0.23 0.00 -1.26 -4.78 105.19 106.08 2d86 n GLY 4 Ca 0.23 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 2d86 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d86 s SER 5 N -1.43 4.53 0.34 1.61 0.15 -1.26 -4.93 113.70 112.71 2d86 s SER 5 Ca 0.00 0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.46 2d86 s SER 5 Cb 0.00 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 2d86 s SER 5 CO 0.00 -3.17 1.04 -0.44 1.20 0.00 0.00 173.24 171.86 2d86 s SER 6 N 9.94 7.06 0.00 5.45 0.01 -1.26 -5.00 113.70 129.90 2d86 s SER 6 Ca 0.84 2.06 0.00 0.00 1.31 0.00 0.00 55.95 60.15 2d86 s SER 6 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2d86 s SER 6 CO 0.10 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2d86 n GLY 7 N 0.68 -1.28 3.33 3.44 0.00 -1.26 -5.09 105.19 105.01 2d86 n GLY 7 Ca 0.02 -0.91 -0.47 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.51 3.37 0.65 1.61 -2.45 -1.26 -5.05 119.30 115.66 2d86 s MET 8 Ca 0.00 -2.16 -0.17 0.00 -1.25 0.00 0.00 55.69 52.11 2d86 s MET 8 Cb 0.00 -4.39 -0.10 0.00 1.25 0.00 0.00 34.83 31.59 2d86 s MET 8 CO 0.00 -1.32 0.10 0.39 1.05 0.00 0.00 175.02 175.24 2d86 n GLU 9 N 4.53 0.18 0.00 4.11 4.71 -1.26 -4.80 120.64 128.12 2d86 n GLU 9 Ca 0.04 0.08 0.07 0.00 -0.01 0.00 0.00 57.16 57.34 2d86 n GLU 9 Cb 0.44 -1.38 0.41 0.00 -1.01 0.00 0.00 31.44 29.90 2d86 n GLU 9 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2d86 n PRO 10 N 0.67 0.32 -0.07 3.49 -0.04 -1.26 -2.30 135.00 135.80 2d86 n PRO 10 Ca 0.08 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2d86 n PRO 10 Cb 0.49 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.17 0.13 0.15 0.54 4.27 -1.26 -3.80 117.44 116.29 2d86 n TRP 11 Ca 0.09 0.04 -0.14 0.00 -3.89 0.00 0.00 57.50 53.61 2d86 n TRP 11 Cb 0.09 -0.95 -0.07 0.00 -1.36 0.00 0.00 31.31 29.02 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 0.00 -0.35 -0.41 -2.67 1.79 -1.79 -2.54 116.57 110.60 2d86 h LYS 12 Ca -0.43 0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 57.94 2d86 h LYS 12 Cb 2.02 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.74 2d86 h LYS 12 CO 0.03 -0.23 -0.24 -0.56 -1.08 0.00 0.00 179.45 177.37 2d86 h GLN 13 N -0.36 0.85 -0.60 3.15 3.07 -1.78 -3.14 115.11 116.28 2d86 h GLN 13 Ca -0.01 -0.36 0.12 0.00 0.09 0.00 0.00 58.65 58.49 2d86 h GLN 13 Cb 0.32 -0.03 -0.11 0.00 0.08 0.00 0.00 27.48 27.74 2d86 h GLN 13 CO 0.00 1.00 -0.07 0.00 0.09 0.00 0.00 178.83 179.85 2d86 h ALA 15 N 1.57 0.72 0.09 0.00 0.00 -1.41 -0.86 119.26 119.38 2d86 h ALA 15 Ca 0.30 0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2d86 h ALA 15 Cb 0.48 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2d86 h ALA 15 CO -0.56 -0.41 -0.23 1.96 0.00 0.00 0.00 179.25 180.01 2d86 h GLN 16 N 0.00 -0.34 -0.95 0.00 1.08 -1.35 -1.16 115.11 112.39 2d86 h GLN 16 Ca 0.50 0.02 0.27 0.00 -1.45 0.00 0.00 58.65 57.99 2d86 h GLN 16 Cb 0.79 0.08 -0.17 0.00 -0.05 0.00 0.00 27.48 28.13 2d86 h GLN 16 CO -1.02 -0.23 0.12 2.35 -0.95 0.00 0.00 178.83 179.10 2d86 h TRP 17 N -0.35 0.12 -0.06 2.96 7.01 -1.21 0.35 115.95 124.77 2d86 h TRP 17 Ca -0.01 0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.07 2d86 h TRP 17 Cb 0.34 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 2d86 h TRP 17 CO -0.32 -0.38 -0.05 -0.07 -2.79 0.00 0.00 178.44 174.83 2d86 h LEU 18 N 0.05 -0.16 -0.72 0.65 3.38 -0.71 0.48 115.31 118.29 2d86 h LEU 18 Ca 0.60 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.68 2d86 h LEU 18 Cb 1.27 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 2d86 h LEU 18 CO -0.84 -0.08 0.40 0.40 0.09 0.00 0.00 178.44 178.42 2d86 h ILE 19 N -0.07 0.95 -0.02 1.22 2.04 0.86 -1.30 117.51 121.19 2d86 h ILE 19 Ca 0.04 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2d86 h ILE 19 Cb 0.13 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2d86 h ILE 19 CO -0.10 0.13 -0.62 0.45 0.00 0.00 0.00 178.15 178.01 2d86 h HIS 20 N 0.72 0.09 0.00 1.37 3.86 -0.77 -2.74 115.15 117.68 2d86 h HIS 20 Ca 0.33 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2d86 h HIS 20 Cb 0.24 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2d86 h HIS 20 CO -0.07 0.67 0.00 0.00 0.86 0.00 0.00 177.93 179.38 2d86 n LYS 22 N -1.05 -4.10 0.00 0.00 4.76 -1.03 -4.75 118.16 111.99 2d86 n LYS 22 Ca 0.13 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 2d86 n LYS 22 Cb 0.08 -4.56 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 -2.99 0.00 -4.12 -0.18 0.24 -0.98 -4.89 118.33 105.42 2d86 n VAL 23 Ca -0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2d86 n VAL 23 Cb 0.60 -0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.10 2.30 0.61 1.34 1.43 -1.24 -4.99 118.68 115.03 2d86 s LEU 24 Ca 0.00 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 2d86 s LEU 24 Cb 0.00 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 2d86 s LEU 24 CO 0.00 -0.18 1.12 -2.16 0.23 0.00 0.00 176.35 175.36 2d86 s PRO 25 N -1.91 3.04 0.47 1.29 0.04 -1.26 -4.29 135.00 132.38 2d86 s PRO 25 Ca -0.04 1.48 0.17 0.00 0.04 0.00 0.00 61.00 62.65 2d86 s PRO 25 Cb -0.08 -1.97 1.14 0.00 0.04 0.00 0.00 34.50 33.62 2d86 s PRO 25 CO 0.01 -1.08 2.04 1.79 0.04 0.00 0.00 177.00 179.80 2d86 h THR 26 N 0.52 1.01 -0.50 1.26 1.35 -2.01 -1.80 112.91 112.75 2d86 h THR 26 Ca -0.48 -0.48 -0.14 0.00 -0.55 0.00 0.00 66.41 64.75 2d86 h THR 26 Cb 1.25 1.27 -0.08 0.00 -1.73 0.00 0.00 68.15 68.85 2d86 h THR 26 CO 0.55 0.13 0.11 -3.20 -0.25 0.00 0.00 175.52 172.87 2d86 n ASN 27 N -4.25 4.00 -4.21 5.36 2.85 -1.26 -4.93 115.26 112.82 2d86 n ASN 27 Ca -0.03 -3.28 -0.33 0.00 -0.11 0.00 0.00 54.58 50.84 2d86 n ASN 27 Cb 0.21 -0.66 0.16 0.00 1.24 0.00 0.00 39.78 40.73 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2d86 n HIS 28 N -0.50 -1.44 0.13 1.20 -0.00 -0.68 -4.89 115.22 109.05 2d86 n HIS 28 Ca 0.33 0.20 0.01 0.00 0.46 0.00 0.00 57.72 58.72 2d86 n HIS 28 Cb 1.15 -1.53 0.06 0.00 -0.12 0.00 0.00 29.99 29.56 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 -1.98 0.00 0.00 1.57 0.11 -1.96 -3.17 114.38 108.96 2d86 h ARG 29 Ca -0.51 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.52 2d86 h ARG 29 Cb 1.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.41 2d86 h ARG 29 CO 0.35 0.57 -0.24 -0.39 0.10 0.00 0.00 179.97 180.36 2d86 h VAL 30 N 0.00 0.68 -0.42 0.08 -1.51 -1.95 -2.96 116.25 110.18 2d86 h VAL 30 Ca -0.01 -1.07 -0.13 0.00 -1.23 0.00 0.00 66.70 64.27 2d86 h VAL 30 Cb 1.35 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.19 2d86 h VAL 30 CO 0.07 0.24 -0.26 0.71 -1.23 0.00 0.00 177.57 177.10 2d86 h THR 31 N 0.00 1.27 -3.35 7.19 1.35 -1.89 -3.45 112.91 114.03 2d86 h THR 31 Ca -0.00 -1.41 -0.57 0.00 -0.55 0.00 0.00 66.41 63.87 2d86 h THR 31 Cb 0.66 1.23 0.16 0.00 -1.73 0.00 0.00 68.15 68.47 2d86 h THR 31 CO 0.03 0.48 -0.00 0.79 -0.25 0.00 0.00 175.52 176.57 2d86 n TRP 32 N -4.09 0.48 -0.04 4.73 7.02 -1.12 -4.91 117.44 119.51 2d86 n TRP 32 Ca -0.00 0.45 -0.11 0.00 -1.02 0.00 0.00 57.50 56.82 2d86 n TRP 32 Cb 0.47 -2.10 -0.05 0.00 -2.42 0.00 0.00 31.31 27.20 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 0.56 0.23 -0.24 -0.99 2.03 -1.88 -2.39 116.42 113.74 2d86 h ASP 33 Ca -0.47 -0.20 0.07 0.00 -0.73 0.00 0.00 57.03 55.69 2d86 h ASP 33 Cb 1.37 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 2d86 h ASP 33 CO 0.51 0.37 0.54 -1.28 -1.03 0.00 0.00 179.24 178.34 2d86 h SER 34 N 0.08 0.00 -4.25 4.15 0.87 -1.92 -3.41 113.55 109.06 2d86 h SER 34 Ca 0.05 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.10 2d86 h SER 34 Cb 0.23 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 62.35 2d86 h SER 34 CO -0.00 0.00 0.26 0.00 -0.53 0.00 0.00 176.83 176.56 2d86 s ALA 35 N -4.30 1.75 0.23 6.23 0.00 -0.90 -5.06 121.76 119.72 2d86 s ALA 35 Ca -0.03 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 2d86 s ALA 35 Cb 0.10 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2d86 s ALA 35 CO 0.35 -2.35 0.36 -0.65 0.00 0.00 0.00 175.76 173.47 2d86 s GLN 36 N -4.77 1.44 0.26 0.00 -0.21 -1.26 -5.02 119.66 110.09 2d86 s GLN 36 Ca 0.64 -1.40 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 2d86 s GLN 36 Cb -0.20 0.40 0.36 0.00 1.00 0.00 0.00 33.01 34.57 2d86 s GLN 36 CO 0.57 -0.56 1.56 -0.39 -2.12 0.00 0.00 175.29 174.36 2d86 h VAL 37 N 2.38 0.03 -0.34 1.09 -1.51 -1.97 -0.38 116.25 115.55 2d86 h VAL 37 Ca -0.30 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.22 2d86 h VAL 37 Cb 1.25 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 30.37 2d86 h VAL 37 CO 0.42 0.00 -0.48 0.15 -1.23 0.00 0.00 177.57 176.42 2d86 h PHE 38 N -0.01 -1.47 -0.94 5.19 3.04 -1.96 0.30 116.94 121.08 2d86 h PHE 38 Ca 0.42 0.07 0.09 0.00 3.98 0.00 0.00 57.97 62.53 2d86 h PHE 38 Cb 0.66 0.69 -0.12 0.00 2.56 0.00 0.00 35.95 39.75 2d86 h PHE 38 CO -0.78 -0.43 -0.55 -0.25 -2.02 0.00 0.00 178.31 174.29 2d86 n ASP 39 N -5.00 -0.98 0.27 0.41 9.92 -0.16 0.21 116.55 121.22 2d86 n ASP 39 Ca -0.03 1.67 0.13 0.00 -0.53 0.00 0.00 54.79 56.03 2d86 n ASP 39 Cb 0.29 -0.23 0.77 0.00 -0.64 0.00 0.00 41.12 41.32 2d86 n ASP 39 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2d86 h LEU 40 N 0.00 0.00 -0.16 0.64 5.85 -1.23 -1.27 115.31 119.13 2d86 h LEU 40 Ca 0.16 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 2d86 h LEU 40 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2d86 h LEU 40 CO -0.89 0.09 -0.35 0.00 -0.34 0.00 0.00 178.44 176.95 2d86 h ALA 41 N 1.91 0.80 0.00 1.25 0.00 0.62 -3.30 119.26 120.53 2d86 h ALA 41 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2d86 h ALA 41 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2d86 h ALA 41 CO 0.01 0.44 -0.00 1.96 0.00 0.00 0.00 179.25 181.66 2d86 h GLN 42 N 0.00 -0.00 -0.51 0.00 4.20 0.15 -0.08 115.11 118.86 2d86 h GLN 42 Ca -0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.85 2d86 h GLN 42 Cb 1.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 2d86 h GLN 42 CO 0.05 0.63 0.72 0.00 -0.67 0.00 0.00 178.83 179.55 2d86 h THR 43 N -1.00 0.17 0.00 -0.54 1.03 -1.56 0.53 112.91 111.54 2d86 h THR 43 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.29 2d86 h THR 43 Cb 0.64 0.40 -0.02 0.00 -1.07 0.00 0.00 68.15 68.09 2d86 h THR 43 CO 0.00 0.00 -1.88 0.18 -0.01 0.00 0.00 175.52 173.81 2d86 n LEU 44 N -3.34 0.00 -0.30 0.00 4.77 -1.24 -4.43 117.00 112.46 2d86 n LEU 44 Ca 0.10 0.00 0.35 0.00 -0.03 0.00 0.00 56.01 56.43 2d86 n LEU 44 Cb 0.90 0.14 0.72 0.00 -2.33 0.00 0.00 43.42 42.85 2d86 n LEU 44 CO 0.22 0.14 1.32 -0.09 -1.33 0.00 0.00 177.39 177.65 2d86 h ARG 45 N 0.00 0.00 -0.36 3.23 2.43 0.21 0.54 114.38 120.43 2d86 h ARG 45 Ca -0.16 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 2d86 h ARG 45 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2d86 h ARG 45 CO 0.01 0.00 -0.05 0.38 -1.51 0.00 0.00 179.97 178.80 2d86 h ASP 46 N 0.00 0.67 0.00 -3.80 2.03 -1.77 -3.42 116.42 110.13 2d86 h ASP 46 Ca 0.56 -0.34 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 2d86 h ASP 46 Cb 2.43 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 40.75 2d86 h ASP 46 CO -0.01 0.85 0.00 0.61 -1.03 0.00 0.00 179.24 179.67 2d86 n GLY 47 N -0.24 1.06 0.09 7.15 0.00 0.19 -4.53 105.19 108.90 2d86 n GLY 47 Ca -0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.23 1.09 -0.04 1.61 0.31 -1.26 -4.20 118.33 113.61 2d86 n VAL 48 Ca 0.00 -0.54 -0.15 0.00 -0.01 0.00 0.00 64.34 63.65 2d86 n VAL 48 Cb 0.08 -0.90 -0.12 0.00 -0.91 0.00 0.00 33.84 31.98 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 0.00 0.11 -0.95 7.52 5.85 -1.88 -3.31 115.31 122.65 2d86 h LEU 49 Ca -0.43 -0.87 0.12 0.00 0.84 0.00 0.00 57.88 57.55 2d86 h LEU 49 Cb 1.81 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.66 2d86 h LEU 49 CO -0.02 0.97 -0.45 0.18 -0.34 0.00 0.00 178.44 178.77 2d86 n LEU 50 N -4.56 -0.78 -0.27 2.25 4.77 -1.26 0.89 117.00 118.03 2d86 n LEU 50 Ca -0.10 1.68 0.06 0.00 -0.03 0.00 0.00 56.01 57.62 2d86 n LEU 50 Cb 0.49 -0.31 0.20 0.00 -2.33 0.00 0.00 43.42 41.47 2d86 n LEU 50 CO 0.37 -1.45 1.04 0.00 -1.33 0.00 0.00 177.39 176.02 2d86 h GLN 52 N 0.48 -0.38 -0.82 0.00 4.20 0.41 -2.69 115.11 116.32 2d86 h GLN 52 Ca 0.44 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.29 2d86 h GLN 52 Cb 0.67 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.41 2d86 h GLN 52 CO -0.40 -0.25 -0.35 -0.11 -0.67 0.00 0.00 178.83 177.04 2d86 n LEU 53 N -5.34 -0.59 -0.17 1.46 7.94 -0.69 0.12 117.00 119.72 2d86 n LEU 53 Ca -0.06 1.43 -0.05 0.00 -1.11 0.00 0.00 56.01 56.21 2d86 n LEU 53 Cb 0.26 -0.30 0.04 0.00 0.53 0.00 0.00 43.42 43.95 2d86 n LEU 53 CO 0.25 -1.26 1.06 -0.07 -1.11 0.00 0.00 177.39 176.27 2d86 h LEU 54 N 0.00 0.49 -1.76 -1.96 3.38 -1.49 -1.48 115.31 112.49 2d86 h LEU 54 Ca 0.25 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.29 2d86 h LEU 54 Cb 0.46 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2d86 h LEU 54 CO -0.80 0.35 0.27 0.78 0.09 0.00 0.00 178.44 179.13 2d86 h ASN 55 N 0.61 0.26 0.05 -0.43 2.35 0.12 0.15 115.58 118.68 2d86 h ASN 55 Ca 0.21 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2d86 h ASN 55 Cb 0.03 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2d86 h ASN 55 CO -0.10 0.17 -0.02 0.78 -1.65 0.00 0.00 177.43 176.61 2d86 h ASN 56 N 0.29 -0.05 0.48 5.81 2.35 0.21 -3.34 115.58 121.34 2d86 h ASN 56 Ca 0.18 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 2d86 h ASN 56 Cb 0.33 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2d86 h ASN 56 CO -0.04 0.39 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.84 2d86 h LEU 57 N -0.51 -0.55 -9.74 1.61 3.38 -0.93 -3.45 115.31 105.12 2d86 h LEU 57 Ca -0.01 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 2d86 h LEU 57 Cb 0.46 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 2d86 h LEU 57 CO 0.01 -0.20 -0.58 -0.60 0.09 0.00 0.00 178.44 177.16 2d86 s ARG 58 N -4.81 2.60 0.03 1.13 3.52 0.46 -4.76 118.95 117.12 2d86 s ARG 58 Ca -0.14 -1.25 -0.09 0.00 -0.13 0.00 0.00 55.73 54.12 2d86 s ARG 58 Cb 0.02 -2.36 -0.05 0.00 -1.56 0.00 0.00 34.95 31.00 2d86 s ARG 58 CO 0.51 0.37 0.33 0.00 -0.81 0.00 0.00 175.30 175.69 2d86 s ALA 59 N -2.24 3.78 -1.83 6.12 0.00 -1.26 -4.04 121.76 122.30 2d86 s ALA 59 Ca 0.32 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2d86 s ALA 59 Cb -0.07 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2d86 s ALA 59 CO 0.22 0.59 0.00 0.72 0.00 0.00 0.00 175.76 177.30 2d86 n HIS 60 N 1.19 -0.72 -0.19 0.00 8.25 -1.26 -4.86 115.22 117.62 2d86 n HIS 60 Ca -0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 2d86 n HIS 60 Cb 0.53 -3.66 0.01 0.00 1.12 0.00 0.00 29.99 27.99 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 0.00 0.93 -3.68 0.41 0.02 -1.86 -3.44 113.55 105.93 2d86 h SER 61 Ca -0.45 -0.30 -0.15 0.00 -0.84 0.00 0.00 61.79 60.05 2d86 h SER 61 Cb 1.33 -0.25 -0.26 0.00 0.14 0.00 0.00 62.40 63.36 2d86 h SER 61 CO 0.57 1.01 -0.37 -0.63 -1.14 0.00 0.00 176.83 176.26 2d86 s ILE 62 N -5.03 -0.01 -0.57 3.27 1.01 -1.26 -4.80 121.20 113.81 2d86 s ILE 62 Ca -0.12 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 2d86 s ILE 62 Cb 0.12 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 42.18 2d86 s ILE 62 CO 0.84 0.02 1.05 0.21 0.00 0.00 0.00 174.94 177.05 2d86 s ASN 63 N 0.51 6.38 0.50 3.58 2.47 -1.26 -4.89 114.94 122.23 2d86 s ASN 63 Ca -0.03 -0.18 0.34 0.00 0.42 0.00 0.00 52.86 53.41 2d86 s ASN 63 Cb -0.04 -2.49 1.47 0.00 -1.45 0.00 0.00 41.25 38.74 2d86 s ASN 63 CO -0.03 -1.35 1.75 -0.07 -3.72 0.00 0.00 177.10 173.68 2d86 h LEU 64 N 11.42 0.12 -0.80 3.21 3.38 -1.99 0.99 115.31 131.63 2d86 h LEU 64 Ca -0.26 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2d86 h LEU 64 Cb 1.07 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2d86 h LEU 64 CO 1.13 -0.00 -0.40 0.11 0.09 0.00 0.00 178.44 179.37 2d86 h LYS 65 N 0.09 0.42 0.00 1.13 1.79 -2.04 -2.64 116.57 115.32 2d86 h LYS 65 Ca 0.64 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.90 2d86 h LYS 65 Cb 2.32 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.97 2d86 h LYS 65 CO -0.11 0.75 -0.06 0.93 -1.08 0.00 0.00 179.45 179.88 2d86 h GLU 66 N 0.35 0.00 -5.94 3.15 4.39 0.62 -3.42 114.58 113.73 2d86 h GLU 66 Ca 0.03 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.06 2d86 h GLU 66 Cb 0.85 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.34 2d86 h GLU 66 CO 0.07 0.06 -0.65 0.96 -1.16 0.00 0.00 179.01 178.30 2d86 s ILE 67 N -3.93 4.09 -1.07 3.13 -4.36 -1.00 -5.01 121.20 113.05 2d86 s ILE 67 Ca -0.01 -0.33 -0.22 0.00 -0.26 0.00 0.00 60.65 59.83 2d86 s ILE 67 Cb 0.11 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 41.12 2d86 s ILE 67 CO 0.54 0.59 1.69 0.20 0.24 0.00 0.00 174.94 178.20 2d86 s ASN 68 N -0.71 6.07 0.52 4.36 0.01 -1.26 -4.80 114.94 119.12 2d86 s ASN 68 Ca 0.11 -1.50 0.36 0.00 -0.71 0.00 0.00 52.86 51.12 2d86 s ASN 68 Cb -0.12 -2.57 1.51 0.00 0.41 0.00 0.00 41.25 40.48 2d86 s ASN 68 CO 0.02 -1.93 1.75 -0.07 -1.51 0.00 0.00 177.10 175.36 2d86 h LEU 69 N 14.57 0.09 -7.24 0.60 3.38 -1.93 -2.92 115.31 121.85 2d86 h LEU 69 Ca 0.23 0.02 -0.65 0.00 0.09 0.00 0.00 57.88 57.57 2d86 h LEU 69 Cb 0.97 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.34 2d86 h LEU 69 CO 1.36 -0.00 -0.45 -0.60 0.09 0.00 0.00 178.44 178.83 2d86 s ARG 70 N -5.04 2.56 0.47 1.13 3.52 -1.26 -4.90 118.95 115.43 2d86 s ARG 70 Ca -0.06 -3.11 0.31 0.00 -0.13 0.00 0.00 55.73 52.74 2d86 s ARG 70 Cb 0.24 -3.56 1.29 0.00 -1.56 0.00 0.00 34.95 31.37 2d86 s ARG 70 CO 0.82 -1.24 1.92 -1.00 -0.81 0.00 0.00 175.30 174.99 2d86 h PRO 71 N 5.92 0.00 -5.77 5.12 0.13 -1.91 -3.47 132.00 132.01 2d86 h PRO 71 Ca 0.09 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.78 2d86 h PRO 71 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 2d86 h PRO 71 CO 0.74 0.00 -0.67 1.04 -0.23 0.00 0.00 178.00 178.88 2d86 n GLN 72 N -2.84 -4.53 -3.56 0.86 6.02 -1.26 -1.48 117.38 110.59 2d86 n GLN 72 Ca 0.01 0.58 -0.20 0.00 -0.01 0.00 0.00 57.00 57.38 2d86 n GLN 72 Cb 0.27 -5.40 0.06 0.00 1.02 0.00 0.00 30.24 26.20 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 -4.23 -5.15 -3.71 -1.09 2.81 -1.26 -4.96 117.12 99.52 2d86 n MET 73 Ca 0.00 0.72 -0.38 0.00 -1.81 0.00 0.00 57.70 56.24 2d86 n MET 73 Cb 0.54 -5.44 -0.11 0.00 -0.71 0.00 0.00 33.22 27.51 2d86 n MET 73 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2d86 s SER 74 N -4.24 5.39 0.35 7.83 0.01 -0.55 -4.96 113.70 117.53 2d86 s SER 74 Ca 0.06 -2.00 0.21 0.00 1.31 0.00 0.00 55.95 55.53 2d86 s SER 74 Cb -0.01 -1.89 1.25 0.00 0.21 0.00 0.00 66.02 65.58 2d86 s SER 74 CO 0.78 -0.59 1.42 1.67 0.41 0.00 0.00 173.24 176.93 2d86 n GLN 75 N 4.68 -0.05 0.10 12.44 7.27 -1.26 0.11 117.38 140.66 2d86 n GLN 75 Ca -0.04 1.22 -0.13 0.00 0.07 0.00 0.00 57.00 58.12 2d86 n GLN 75 Cb 0.41 -2.24 -0.07 0.00 2.41 0.00 0.00 30.24 30.75 2d86 n GLN 75 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 2d86 h PHE 76 N 0.00 -0.15 0.40 3.69 3.57 -1.96 -1.68 116.94 120.82 2d86 h PHE 76 Ca 0.77 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.25 2d86 h PHE 76 Cb 2.16 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.95 2d86 h PHE 76 CO -0.01 -0.09 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.72 2d86 h LEU 77 N -0.16 -0.46 -0.98 0.59 3.38 0.41 -2.63 115.31 115.46 2d86 h LEU 77 Ca -0.01 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2d86 h LEU 77 Cb 0.12 0.12 -0.18 0.00 0.09 0.00 0.00 40.66 40.81 2d86 h LEU 77 CO 0.02 -0.02 -0.28 0.00 0.09 0.00 0.00 178.44 178.25 2d86 h LEU 79 N 0.00 0.35 0.47 0.00 3.38 -1.38 -2.64 115.31 115.48 2d86 h LEU 79 Ca 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2d86 h LEU 79 Cb 0.68 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2d86 h LEU 79 CO -1.00 0.31 -0.32 0.50 0.09 0.00 0.00 178.44 178.02 2d86 h LYS 80 N 0.35 -0.74 -0.32 1.13 3.11 0.35 -2.93 116.57 117.52 2d86 h LYS 80 Ca 0.10 0.05 0.03 0.00 -2.81 0.00 0.00 60.65 58.02 2d86 h LYS 80 Cb 0.04 0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 31.38 2d86 h LYS 80 CO -0.02 -0.49 -0.34 -0.91 -2.81 0.00 0.00 179.45 174.89 2d86 h ASN 81 N -0.76 -1.15 -0.89 4.20 4.21 -0.46 -1.52 115.58 119.21 2d86 h ASN 81 Ca -0.05 0.16 0.11 0.00 1.21 0.00 0.00 56.30 57.72 2d86 h ASN 81 Cb 0.64 0.48 -0.12 0.00 -1.12 0.00 0.00 38.32 38.19 2d86 h ASN 81 CO 0.03 -0.22 -0.44 -0.38 -1.29 0.00 0.00 177.43 175.13 2d86 n ILE 82 N -4.30 -0.54 -0.29 2.81 5.41 -1.00 0.12 119.36 121.57 2d86 n ILE 82 Ca -0.01 2.11 0.11 0.00 1.00 0.00 0.00 62.75 65.96 2d86 n ILE 82 Cb 0.19 -2.70 0.27 0.00 -0.71 0.00 0.00 39.64 36.69 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 0.43 -0.79 0.38 3.08 -1.11 0.60 114.38 116.97 2d86 h ARG 83 Ca 0.22 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.39 2d86 h ARG 83 Cb 0.44 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 2d86 h ARG 83 CO -0.86 0.28 0.35 1.15 -1.07 0.00 0.00 179.97 179.83 2d86 h THR 84 N 0.44 0.68 0.66 2.04 2.02 0.16 0.18 112.91 119.10 2d86 h THR 84 Ca 0.51 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 2d86 h THR 84 Cb 0.91 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2d86 h THR 84 CO -0.48 0.09 -0.32 0.15 0.37 0.00 0.00 175.52 175.33 2d86 h PHE 85 N 0.51 -0.82 -1.08 3.16 3.57 -0.60 -2.81 116.94 118.87 2d86 h PHE 85 Ca 0.43 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 62.21 2d86 h PHE 85 Cb 0.64 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.57 2d86 h PHE 85 CO -0.14 -0.51 0.71 -0.07 -2.23 0.00 0.00 178.31 176.07 2d86 h LEU 86 N -1.03 0.36 -1.21 0.59 3.38 -1.18 0.51 115.31 116.72 2d86 h LEU 86 Ca -0.09 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2d86 h LEU 86 Cb 0.68 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2d86 h LEU 86 CO 0.15 0.05 0.24 0.74 0.09 0.00 0.00 178.44 179.71 2d86 h THR 87 N 0.30 1.19 -0.08 0.22 2.02 -0.81 -2.32 112.91 113.43 2d86 h THR 87 Ca 0.61 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 67.06 2d86 h THR 87 Cb 1.71 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2d86 h THR 87 CO -0.26 0.23 -0.60 0.00 0.37 0.00 0.00 175.52 175.26 2d86 h ALA 88 N 1.48 0.82 0.00 6.16 0.00 0.26 -1.60 119.26 126.39 2d86 h ALA 88 Ca 0.19 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2d86 h ALA 88 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2d86 h ALA 88 CO -0.02 0.72 0.03 0.00 0.00 0.00 0.00 179.25 179.98 2d86 n GLU 91 N -2.04 0.48 0.19 0.00 -0.58 -0.62 -3.35 120.64 114.71 2d86 n GLU 91 Ca -0.06 0.54 -0.13 0.00 -0.42 0.00 0.00 57.16 57.08 2d86 n GLU 91 Cb 0.51 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 2d86 n GLU 91 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2d86 h THR 92 N -1.00 0.52 0.00 2.62 2.02 -0.23 -3.40 112.91 113.44 2d86 h THR 92 Ca -0.09 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2d86 h THR 92 Cb 0.71 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2d86 h THR 92 CO -0.05 0.09 -0.12 -0.26 0.37 0.00 0.00 175.52 175.55 2d86 h PHE 93 N -0.89 0.00 0.00 3.16 -1.00 -1.63 -3.50 116.94 113.08 2d86 h PHE 93 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2d86 h PHE 93 Cb 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2d86 h PHE 93 CO 0.02 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.13 2d86 n GLY 94 N 1.76 0.81 3.69 -1.45 0.00 -0.44 -4.92 105.19 104.64 2d86 n GLY 94 Ca -0.02 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 2d86 n GLY 94 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d86 s MET 95 N -1.82 2.11 -0.02 1.61 0.23 -0.32 -4.95 119.30 116.15 2d86 s MET 95 Ca 0.00 -1.99 -0.30 0.00 -1.03 0.00 0.00 55.69 52.37 2d86 s MET 95 Cb 0.00 -1.81 -0.08 0.00 -1.53 0.00 0.00 34.83 31.40 2d86 s MET 95 CO 0.00 -0.12 2.02 0.54 -2.03 0.00 0.00 175.02 175.44 2d86 n ARG 96 N -1.14 2.67 -0.13 3.16 1.74 -1.26 -4.71 116.66 116.98 2d86 n ARG 96 Ca -0.04 0.94 -0.03 0.00 -0.77 0.00 0.00 57.85 57.95 2d86 n ARG 96 Cb 0.66 -3.04 0.19 0.00 -1.02 0.00 0.00 32.46 29.25 2d86 n ARG 96 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2d86 h LYS 97 N 11.44 0.83 -0.17 5.56 1.63 -1.96 -2.08 116.57 131.81 2d86 h LYS 97 Ca -0.48 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.20 2d86 h LYS 97 Cb 1.24 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2d86 h LYS 97 CO 0.94 0.75 0.20 1.03 -3.45 0.00 0.00 179.45 178.93 2d86 h SER 98 N 0.80 0.00 0.38 4.20 0.87 -2.01 -0.36 113.55 117.43 2d86 h SER 98 Ca 0.17 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.45 2d86 h SER 98 Cb 0.30 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2d86 h SER 98 CO -0.00 0.00 -1.24 -0.33 -0.53 0.00 0.00 176.83 174.73 2d86 h GLU 99 N 0.00 0.44 -6.77 2.24 4.39 -1.76 -3.46 114.58 109.65 2d86 h GLU 99 Ca 0.08 -0.65 -0.53 0.00 0.34 0.00 0.00 59.36 58.60 2d86 h GLU 99 Cb 0.49 0.23 0.22 0.00 -0.10 0.00 0.00 28.75 29.58 2d86 h GLU 99 CO -0.00 1.29 -0.62 1.28 -1.16 0.00 0.00 179.01 179.80 2d86 n LEU 100 N -3.67 -0.42 -4.99 1.33 4.77 -0.15 -4.66 117.00 109.21 2d86 n LEU 100 Ca -0.11 0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 2d86 n LEU 100 Cb 1.00 -1.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2d86 n LEU 100 CO 0.56 -3.63 0.57 0.72 -1.33 0.00 0.00 177.39 174.28 2d86 s PHE 101 N -2.38 1.52 -0.27 -1.77 -0.71 -1.26 -5.04 117.98 108.06 2d86 s PHE 101 Ca 0.57 -0.27 -0.11 0.00 -1.04 0.00 0.00 56.93 56.08 2d86 s PHE 101 Cb -0.21 -3.04 -0.05 0.00 -1.21 0.00 0.00 43.02 38.51 2d86 s PHE 101 CO 0.68 -1.78 0.18 -1.21 -1.34 0.00 0.00 175.22 171.74 2d86 s GLU 102 N -5.19 3.94 0.25 1.99 0.41 -1.26 -4.96 118.70 113.88 2d86 s GLU 102 Ca 0.67 -0.33 0.08 0.00 -0.41 0.00 0.00 54.97 54.98 2d86 s GLU 102 Cb -0.05 -3.61 0.76 0.00 -1.78 0.00 0.00 34.13 29.44 2d86 s GLU 102 CO 0.45 -0.15 1.15 0.00 -0.49 0.00 0.00 175.26 176.22 2d86 n ALA 103 N 4.95 0.55 0.50 5.21 0.00 -1.26 0.28 120.51 130.74 2d86 n ALA 103 Ca -0.14 0.77 -0.20 0.00 0.00 0.00 0.00 53.44 53.87 2d86 n ALA 103 Cb 0.52 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 2d86 n ALA 103 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2d86 h PHE 104 N 0.00 -1.18 -0.98 0.00 3.57 -1.96 -1.72 116.94 114.66 2d86 h PHE 104 Ca 0.53 -0.03 0.38 0.00 3.53 0.00 0.00 57.97 62.37 2d86 h PHE 104 Cb 1.25 0.39 -0.14 0.00 2.79 0.00 0.00 35.95 40.25 2d86 h PHE 104 CO -0.20 -0.74 0.58 -0.25 -2.23 0.00 0.00 178.31 175.47 2d86 n ASP 105 N -5.54 0.24 0.09 0.41 8.00 0.14 -0.23 116.55 119.66 2d86 n ASP 105 Ca -0.16 1.30 -0.06 0.00 0.71 0.00 0.00 54.79 56.58 2d86 n ASP 105 Cb 0.50 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 2d86 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d86 h LEU 106 N 0.00 -0.27 -0.24 0.64 5.85 -1.24 0.44 115.31 120.49 2d86 h LEU 106 Ca 0.73 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.45 2d86 h LEU 106 Cb 2.11 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 43.14 2d86 h LEU 106 CO -0.54 0.21 -0.53 0.15 -0.34 0.00 0.00 178.44 177.39 2d86 h PHE 107 N -1.07 -1.61 0.00 1.25 3.57 0.32 0.42 116.94 119.81 2d86 h PHE 107 Ca -0.03 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2d86 h PHE 107 Cb 0.29 0.73 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2d86 h PHE 107 CO 0.01 -0.51 0.00 -3.47 -2.23 0.00 0.00 178.31 172.11 2d86 n ASP 108 N -5.32 0.00 -3.29 0.41 2.03 0.15 -4.87 116.55 105.67 2d86 n ASP 108 Ca -0.05 -0.26 -0.23 0.00 0.52 0.00 0.00 54.79 54.77 2d86 n ASP 108 Cb 0.35 -0.19 0.01 0.00 -0.72 0.00 0.00 41.12 40.58 2d86 n ASP 108 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2d86 n VAL 109 N -1.19 -1.42 0.19 5.18 0.31 0.15 -4.90 118.33 116.65 2d86 n VAL 109 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2d86 n VAL 109 Cb 0.14 -2.46 -0.04 0.00 -0.91 0.00 0.00 33.84 30.57 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 -1.21 -0.48 -3.57 5.55 3.08 -0.44 -3.41 114.38 113.91 2d86 h ARG 110 Ca -0.47 0.03 -0.61 0.00 0.07 0.00 0.00 59.98 59.00 2d86 h ARG 110 Cb 1.32 0.11 -0.40 0.00 0.08 0.00 0.00 29.97 31.08 2d86 h ARG 110 CO 0.55 -0.32 -0.73 -0.51 -1.07 0.00 0.00 179.97 177.89 2d86 s ASP 111 N -2.79 4.07 0.30 7.04 1.11 -1.24 -4.97 116.67 120.18 2d86 s ASP 111 Ca -0.07 -2.16 0.05 0.00 0.18 0.00 0.00 52.55 50.55 2d86 s ASP 111 Cb 0.01 -1.12 0.46 0.00 1.07 0.00 0.00 42.92 43.34 2d86 s ASP 111 CO 0.23 -0.35 1.72 0.15 1.18 0.00 0.00 175.17 178.10 2d86 h PHE 112 N 7.44 0.38 -0.92 4.23 3.57 -1.83 -2.93 116.94 126.89 2d86 h PHE 112 Ca -0.07 -0.09 0.25 0.00 3.53 0.00 0.00 57.97 61.58 2d86 h PHE 112 Cb 0.98 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2d86 h PHE 112 CO 0.43 0.63 0.64 0.78 -2.23 0.00 0.00 178.31 178.56 2d86 h GLY 113 N 1.09 0.38 1.10 2.40 0.00 -1.98 0.14 103.07 106.19 2d86 h GLY 113 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2d86 h GLY 113 CO 0.06 -0.02 -0.12 0.50 0.00 0.00 0.00 176.54 176.96 2d86 h LYS 114 N 0.16 1.04 -0.39 4.80 1.57 -1.95 -2.62 116.57 119.17 2d86 h LYS 114 Ca 0.46 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 2d86 h LYS 114 Cb 1.54 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 2d86 h LYS 114 CO -0.08 1.08 -0.25 0.28 -0.57 0.00 0.00 179.45 179.91 2d86 h VAL 115 N 0.91 1.28 -0.21 0.50 2.07 -0.90 -3.12 116.25 116.78 2d86 h VAL 115 Ca 0.14 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.28 2d86 h VAL 115 Cb 0.70 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2d86 h VAL 115 CO 0.05 0.47 0.04 0.40 0.02 0.00 0.00 177.57 178.55 2d86 h ILE 116 N 0.67 0.90 -0.39 4.57 2.04 -1.25 -2.75 117.51 121.30 2d86 h ILE 116 Ca 0.08 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2d86 h ILE 116 Cb 0.82 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 2d86 h ILE 116 CO 0.07 0.02 -0.15 -0.08 0.00 0.00 0.00 178.15 178.01 2d86 h GLU 117 N 0.12 -0.07 -0.97 2.37 4.81 -1.46 -1.54 114.58 117.84 2d86 h GLU 117 Ca 0.09 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.55 2d86 h GLU 117 Cb 0.09 0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.30 2d86 h GLU 117 CO -0.13 -0.05 -0.12 1.15 -0.73 0.00 0.00 179.01 179.14 2d86 h THR 118 N -0.08 0.04 -0.42 0.32 2.02 -1.43 0.53 112.91 113.90 2d86 h THR 118 Ca 0.19 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2d86 h THR 118 Cb 0.37 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2d86 h THR 118 CO -0.45 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 175.58 2d86 h LEU 119 N 0.01 0.54 -1.30 2.58 3.38 -1.30 -1.51 115.31 117.71 2d86 h LEU 119 Ca 0.52 -0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.71 2d86 h LEU 119 Cb 0.93 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 2d86 h LEU 119 CO -0.95 0.51 0.72 -1.28 0.09 0.00 0.00 178.44 177.52 2d86 h SER 120 N 0.53 0.39 0.00 -0.43 0.87 0.36 -0.88 113.55 114.39 2d86 h SER 120 Ca 0.14 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2d86 h SER 120 Cb 0.11 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2d86 h SER 120 CO -0.02 -0.06 -0.31 0.03 -0.53 0.00 0.00 176.83 175.94 2d86 h ARG 121 N 0.27 0.00 -0.99 2.24 3.08 -1.13 -3.35 114.38 114.49 2d86 h ARG 121 Ca 0.71 0.00 0.36 0.00 0.07 0.00 0.00 59.98 61.12 2d86 h ARG 121 Cb 1.94 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.81 2d86 h ARG 121 CO -0.41 0.62 0.39 1.25 -1.07 0.00 0.00 179.97 180.75 2d86 h LEU 122 N -1.00 0.10 -0.66 3.04 5.85 -0.24 0.61 115.31 123.01 2d86 h LEU 122 Ca -0.07 0.26 0.14 0.00 0.84 0.00 0.00 57.88 59.04 2d86 h LEU 122 Cb 0.74 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 2d86 h LEU 122 CO -0.04 -0.38 0.09 0.77 -0.34 0.00 0.00 178.44 178.54 2d86 h SER 123 N 0.04 -0.12 -1.42 1.25 4.64 -1.34 0.15 113.55 116.75 2d86 h SER 123 Ca 0.76 0.14 0.43 0.00 -0.47 0.00 0.00 61.79 62.65 2d86 h SER 123 Cb 1.86 0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 64.08 2d86 h SER 123 CO -0.79 -0.06 0.97 0.03 -0.87 0.00 0.00 176.83 176.11 2d86 h ARG 124 N 0.20 0.08 -6.29 4.77 2.47 0.07 -3.31 114.38 112.37 2d86 h ARG 124 Ca 0.35 -0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.47 2d86 h ARG 124 Cb 0.58 -0.02 0.16 0.00 -1.65 0.00 0.00 29.97 29.04 2d86 h ARG 124 CO -0.50 0.05 -0.55 0.25 0.56 0.00 0.00 179.97 179.79 2d86 n THR 125 N -4.38 1.54 0.85 2.04 -2.24 0.52 -4.79 114.28 107.82 2d86 n THR 125 Ca 0.35 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2d86 n THR 125 Cb 1.47 -0.44 0.42 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.65 0.36 -0.06 -0.78 -0.04 -1.26 -2.58 135.00 131.29 2d86 n PRO 126 Ca 0.11 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 2d86 n PRO 126 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.13 1.60 -0.00 0.52 -0.00 -1.26 -3.27 119.36 115.82 2d86 n ILE 127 Ca 0.10 -0.69 -0.18 0.00 -0.00 0.00 0.00 62.75 61.97 2d86 n ILE 127 Cb 0.08 -1.31 -0.08 0.00 -0.00 0.00 0.00 39.64 38.33 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 0.36 0.23 -0.23 -1.39 0.00 -1.67 -3.29 119.26 113.28 2d86 h ALA 128 Ca -0.47 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 53.62 2d86 h ALA 128 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2d86 h ALA 128 CO 0.02 0.66 -0.62 -0.07 0.00 0.00 0.00 179.25 179.24 2d86 h LEU 129 N 0.46 0.94 -0.98 0.00 3.38 -1.60 -3.27 115.31 114.24 2d86 h LEU 129 Ca -0.08 -0.57 0.19 0.00 0.09 0.00 0.00 57.88 57.50 2d86 h LEU 129 Cb 1.49 -0.27 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 2d86 h LEU 129 CO 0.17 1.34 -0.27 0.00 0.09 0.00 0.00 178.44 179.77 2d86 h ALA 130 N 0.62 0.55 -0.51 1.53 0.00 -1.62 1.41 119.26 121.24 2d86 h ALA 130 Ca -0.01 0.36 0.08 0.00 0.00 0.00 0.00 54.91 55.33 2d86 h ALA 130 Cb 1.24 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 2d86 h ALA 130 CO 0.13 -0.43 0.34 1.79 0.00 0.00 0.00 179.25 181.09 2d86 h THR 131 N -0.00 0.93 0.00 0.00 1.35 -1.67 -3.46 112.91 110.06 2d86 h THR 131 Ca 0.44 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2d86 h THR 131 Cb 0.69 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2d86 h THR 131 CO -1.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 174.95 2d86 n GLY 132 N -1.52 0.93 3.76 5.82 0.00 0.48 -5.06 105.19 109.59 2d86 n GLY 132 Ca 0.08 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 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 4.09 -0.81 -0.61 1.01 -1.26 -4.86 121.20 116.77 2d86 s ILE 133 Ca 0.00 2.01 -0.23 0.00 0.00 0.00 0.00 60.65 62.43 2d86 s ILE 133 Cb 0.00 -4.24 -0.19 0.00 0.01 0.00 0.00 42.46 38.04 2d86 s ILE 133 CO 0.00 0.41 2.14 0.54 0.00 0.00 0.00 174.94 178.02 2d86 n ARG 134 N 1.25 0.00 -2.26 2.79 5.12 -1.26 -4.82 116.66 117.48 2d86 n ARG 134 Ca -0.01 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2d86 n ARG 134 Cb 0.48 -1.17 -0.01 0.00 -1.16 0.00 0.00 32.46 30.60 2d86 n ARG 134 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2d86 s PRO 135 N 7.11 3.86 0.44 5.56 0.04 -1.26 -4.82 135.00 145.92 2d86 s PRO 135 Ca 1.10 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.71 2d86 s PRO 135 Cb -0.98 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 2d86 s PRO 135 CO 0.41 -0.48 1.13 1.19 0.04 0.00 0.00 177.00 179.29 2d86 n PHE 136 N -0.29 1.61 -1.24 0.56 3.01 -1.26 -4.96 117.46 114.89 2d86 n PHE 136 Ca 0.06 0.52 -0.31 0.00 1.01 0.00 0.00 57.45 58.74 2d86 n PHE 136 Cb 0.47 -2.29 0.10 0.00 -0.01 0.00 0.00 39.48 37.75 2d86 n PHE 136 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2d86 s PRO 137 N -2.18 2.07 -0.26 -1.08 0.04 -1.26 -5.06 135.00 127.27 2d86 s PRO 137 Ca 0.63 1.11 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 2d86 s PRO 137 Cb -0.52 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.28 2d86 s PRO 137 CO 0.56 -1.76 1.14 0.45 0.04 0.00 0.00 177.00 177.43 2d86 s SER 138 N -3.39 -0.31 0.25 6.66 0.15 -1.26 -5.13 113.70 110.66 2d86 s SER 138 Ca 0.62 0.52 -0.19 0.00 0.70 0.00 0.00 55.95 57.60 2d86 s SER 138 Cb -0.17 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2d86 s SER 138 CO 0.56 -0.16 0.62 -0.83 1.20 0.00 0.00 173.24 174.63 2d86 s GLY 139 N -0.25 0.01 -0.76 9.45 0.00 -1.26 -5.10 107.32 109.42 2d86 s GLY 139 Ca 0.03 -0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 2d86 s GLY 139 CO -0.06 -0.23 1.90 2.56 0.00 0.00 0.00 173.10 177.27 2d86 s PRO 140 N -3.92 2.59 0.34 2.90 0.04 -1.26 -4.97 135.00 130.72 2d86 s PRO 140 Ca 0.12 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 2d86 s PRO 140 Cb -0.03 -4.72 -0.05 0.00 0.04 0.00 0.00 34.50 29.74 2d86 s PRO 140 CO 0.04 -3.05 0.60 -1.12 0.04 0.00 0.00 177.00 173.51 2d86 s SER 141 N 8.06 6.39 -0.12 6.66 0.01 -1.26 -5.09 113.70 128.35 2d86 s SER 141 Ca 0.69 0.70 -0.01 0.00 1.31 0.00 0.00 55.95 58.64 2d86 s SER 141 Cb -0.10 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 2d86 s SER 141 CO 0.10 -0.28 -0.09 -0.94 0.41 0.00 0.00 173.24 172.44 2d86 s SER 142 N -3.51 4.39 0.00 2.44 1.04 -1.26 -5.34 113.70 111.46 2d86 s SER 142 Ca 0.44 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2d86 s SER 142 Cb -0.10 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2d86 s SER 142 CO 0.34 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.38