#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 5.00 0.00 1.61 1.04 -1.26 -4.95 113.70 115.14 2d86 s SER 2 Ca 0.00 0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.97 2d86 s SER 2 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2d86 s SER 2 CO 0.00 -2.57 -0.06 -0.55 0.98 0.00 0.00 173.24 171.04 2d86 s SER 3 N 9.35 4.68 0.16 7.02 0.15 -1.26 -5.07 113.70 128.73 2d86 s SER 3 Ca 0.76 -0.13 -0.34 0.00 0.70 0.00 0.00 55.95 56.94 2d86 s SER 3 Cb -0.14 -1.11 -0.14 0.00 -1.71 0.00 0.00 66.02 62.92 2d86 s SER 3 CO 0.21 0.28 1.49 0.61 1.20 0.00 0.00 173.24 177.03 2d86 n GLY 4 N 1.52 0.91 3.43 9.45 0.00 -1.26 -4.99 105.19 114.25 2d86 n GLY 4 Ca -0.15 0.63 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 2d86 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d86 s SER 5 N 0.70 3.04 -0.06 1.61 0.01 -1.26 -5.15 113.70 112.59 2d86 s SER 5 Ca 0.78 -1.10 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 2d86 s SER 5 Cb -0.73 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.31 2d86 s SER 5 CO 0.42 -0.17 -0.01 -0.94 0.41 0.00 0.00 173.24 172.95 2d86 s SER 6 N -3.44 1.33 0.00 2.44 1.04 -1.26 -5.10 113.70 108.71 2d86 s SER 6 Ca 0.28 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2d86 s SER 6 Cb -0.00 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2d86 s SER 6 CO 0.12 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2d86 n GLY 7 N 4.83 1.45 3.77 7.32 0.00 -1.26 -5.05 105.19 116.25 2d86 n GLY 7 Ca -0.12 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.31 4.11 0.34 1.61 -2.45 -1.26 -5.08 119.30 115.26 2d86 s MET 8 Ca 0.00 0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 54.63 2d86 s MET 8 Cb 0.00 -3.34 -0.07 0.00 1.25 0.00 0.00 34.83 32.67 2d86 s MET 8 CO 0.00 0.41 0.70 -1.21 1.05 0.00 0.00 175.02 175.97 2d86 s GLU 9 N -0.14 3.84 0.00 4.11 2.02 -1.26 -4.96 118.70 122.31 2d86 s GLU 9 Ca 0.22 0.46 0.14 0.00 0.02 0.00 0.00 54.97 55.81 2d86 s GLU 9 Cb -0.15 -2.47 0.61 0.00 0.10 0.00 0.00 34.13 32.22 2d86 s GLU 9 CO 0.09 0.11 1.45 -0.35 0.02 0.00 0.00 175.26 176.58 2d86 n PRO 10 N -0.77 0.00 0.09 0.39 -0.04 -1.26 -2.25 135.00 131.17 2d86 n PRO 10 Ca 0.02 0.25 0.04 0.00 -0.04 0.00 0.00 63.50 63.77 2d86 n PRO 10 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2d86 n PRO 10 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2d86 h TRP 11 N 0.00 0.00 0.26 0.54 5.08 -1.99 -3.12 115.95 116.73 2d86 h TRP 11 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 2d86 h TRP 11 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 2d86 h TRP 11 CO 0.00 0.40 -0.13 0.87 -1.28 0.00 0.00 178.44 178.30 2d86 h LYS 12 N 0.00 -0.34 -0.17 0.12 1.79 -1.85 -2.85 116.57 113.27 2d86 h LYS 12 Ca -0.07 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 2d86 h LYS 12 Cb 1.36 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 2d86 h LYS 12 CO 0.04 0.00 -0.23 1.96 -1.08 0.00 0.00 179.45 180.14 2d86 h GLN 13 N -0.75 0.30 -0.53 3.15 4.20 -1.72 -2.95 115.11 116.81 2d86 h GLN 13 Ca -0.04 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.62 2d86 h GLN 13 Cb 0.50 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 2d86 h GLN 13 CO 0.06 0.53 0.27 0.00 -0.67 0.00 0.00 178.83 179.02 2d86 h ALA 15 N 1.29 0.72 0.07 0.00 0.00 -1.32 -1.83 119.26 118.20 2d86 h ALA 15 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2d86 h ALA 15 Cb 0.14 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2d86 h ALA 15 CO -0.16 -0.43 -0.16 1.96 0.00 0.00 0.00 179.25 180.45 2d86 h GLN 16 N 0.02 -0.24 -0.88 0.00 1.08 -1.58 -2.10 115.11 111.41 2d86 h GLN 16 Ca 0.45 0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.88 2d86 h GLN 16 Cb 0.76 0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 28.08 2d86 h GLN 16 CO -0.85 -0.16 -0.06 1.87 -0.95 0.00 0.00 178.83 178.67 2d86 n TRP 17 N -3.34 0.48 0.09 2.96 -0.00 -0.73 0.47 117.44 117.37 2d86 n TRP 17 Ca -0.03 1.06 -0.12 0.00 -0.00 0.00 0.00 57.50 58.41 2d86 n TRP 17 Cb 0.13 -1.11 -0.05 0.00 -0.00 0.00 0.00 31.31 30.28 2d86 n TRP 17 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2d86 h LEU 18 N 0.00 -0.73 -0.51 5.87 3.38 -0.94 0.40 115.31 122.78 2d86 h LEU 18 Ca 0.49 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.64 2d86 h LEU 18 Cb 0.94 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 2d86 h LEU 18 CO -0.85 -0.33 0.12 0.40 0.09 0.00 0.00 178.44 177.87 2d86 h ILE 19 N -0.42 0.74 -0.14 1.22 2.04 0.66 -0.61 117.51 121.00 2d86 h ILE 19 Ca 0.05 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2d86 h ILE 19 Cb 0.48 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2d86 h ILE 19 CO -0.18 0.05 -0.26 0.45 0.00 0.00 0.00 178.15 178.21 2d86 h HIS 20 N 0.27 0.28 0.00 1.37 3.86 -0.77 -1.89 115.15 118.26 2d86 h HIS 20 Ca 0.26 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2d86 h HIS 20 Cb 0.33 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2d86 h HIS 20 CO -0.21 0.50 0.00 0.00 0.86 0.00 0.00 177.93 179.07 2d86 n LYS 22 N -1.03 -3.67 0.00 0.00 4.76 -0.71 -4.77 118.16 112.74 2d86 n LYS 22 Ca 0.12 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 2d86 n LYS 22 Cb 0.07 -4.28 0.00 0.00 -1.84 0.00 0.00 35.03 28.98 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 -2.94 0.00 -4.34 -0.18 0.24 -0.99 -4.90 118.33 105.21 2d86 n VAL 23 Ca -0.11 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.99 2d86 n VAL 23 Cb 0.57 -0.56 -0.13 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.91 2.18 0.49 1.34 1.43 -1.24 -4.96 118.68 115.02 2d86 s LEU 24 Ca 0.00 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2d86 s LEU 24 Cb 0.00 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.55 2d86 s LEU 24 CO 0.00 0.02 1.15 -2.16 0.23 0.00 0.00 176.35 175.60 2d86 s PRO 25 N -1.21 3.60 0.63 1.29 0.04 -1.26 -4.22 135.00 133.87 2d86 s PRO 25 Ca 0.01 1.71 0.40 0.00 0.04 0.00 0.00 61.00 63.16 2d86 s PRO 25 Cb -0.08 -2.25 2.15 0.00 0.04 0.00 0.00 34.50 34.37 2d86 s PRO 25 CO 0.01 -0.67 2.29 1.79 0.04 0.00 0.00 177.00 180.47 2d86 h THR 26 N 1.60 0.13 -0.27 1.26 1.35 -2.01 -0.56 112.91 114.41 2d86 h THR 26 Ca -0.50 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 2d86 h THR 26 Cb 1.25 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 2d86 h THR 26 CO 0.59 0.01 0.00 0.59 -0.25 0.00 0.00 175.52 176.46 2d86 n ASN 27 N -3.25 3.72 -4.27 5.36 4.13 -1.26 -4.97 115.26 114.73 2d86 n ASN 27 Ca -0.03 -3.09 -0.33 0.00 1.68 0.00 0.00 54.58 52.81 2d86 n ASN 27 Cb 0.11 -0.55 0.16 0.00 -1.54 0.00 0.00 39.78 37.96 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 -0.60 -1.43 0.32 3.10 -0.00 -0.22 -4.89 115.22 111.50 2d86 n HIS 28 Ca 0.23 0.17 0.12 0.00 0.46 0.00 0.00 57.72 58.70 2d86 n HIS 28 Cb 0.91 -1.56 0.20 0.00 -0.12 0.00 0.00 29.99 29.41 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 -3.20 114.38 108.92 2d86 h ARG 29 Ca -0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2d86 h ARG 29 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2d86 h ARG 29 CO 0.37 0.00 0.00 -0.39 0.10 0.00 0.00 179.97 180.05 2d86 h VAL 30 N 0.00 0.00 -0.00 0.08 -1.51 -1.94 -2.89 116.25 109.98 2d86 h VAL 30 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2d86 h VAL 30 Cb 0.92 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2d86 h VAL 30 CO 0.00 0.00 -0.09 0.35 -1.23 0.00 0.00 177.57 176.60 2d86 n THR 31 N -2.58 0.00 -2.75 7.19 -2.24 -1.21 -4.84 114.28 107.85 2d86 n THR 31 Ca 0.04 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 2d86 n THR 31 Cb 0.39 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 2d86 n THR 31 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2d86 s TRP 32 N -2.84 3.98 0.24 4.78 0.52 -1.09 -4.96 118.94 119.57 2d86 s TRP 32 Ca 0.18 1.91 -0.05 0.00 0.02 0.00 0.00 56.10 58.16 2d86 s TRP 32 Cb 0.19 -2.98 0.35 0.00 -1.15 0.00 0.00 33.47 29.88 2d86 s TRP 32 CO 0.54 0.45 1.85 0.38 0.02 0.00 0.00 176.95 180.18 2d86 h ASP 33 N 4.23 0.84 -0.04 2.95 3.04 -1.89 0.17 116.42 125.72 2d86 h ASP 33 Ca -0.45 0.02 0.01 0.00 -3.24 0.00 0.00 57.03 53.37 2d86 h ASP 33 Cb 1.20 -0.16 -0.00 0.00 -1.04 0.00 0.00 39.33 39.33 2d86 h ASP 33 CO 0.68 0.53 0.09 0.28 -2.04 0.00 0.00 179.24 178.78 2d86 h SER 34 N 0.97 0.00 -3.57 4.15 0.02 -1.93 -3.42 113.55 109.77 2d86 h SER 34 Ca 0.38 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.88 2d86 h SER 34 Cb 0.19 0.00 0.19 0.00 0.14 0.00 0.00 62.40 62.92 2d86 h SER 34 CO -0.18 0.00 0.10 0.00 -1.14 0.00 0.00 176.83 175.60 2d86 s ALA 35 N -4.34 0.21 0.18 3.77 0.00 0.05 -5.07 121.76 116.55 2d86 s ALA 35 Ca -0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 2d86 s ALA 35 Cb 0.13 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2d86 s ALA 35 CO 0.45 -3.38 0.48 -0.65 0.00 0.00 0.00 175.76 172.65 2d86 s GLN 36 N -4.65 1.30 0.29 0.00 -0.21 -1.26 -5.01 119.66 110.12 2d86 s GLN 36 Ca 0.67 -0.86 0.16 0.00 0.02 0.00 0.00 55.36 55.35 2d86 s GLN 36 Cb -0.22 0.50 1.05 0.00 1.00 0.00 0.00 33.01 35.33 2d86 s GLN 36 CO 0.62 -0.54 1.26 1.33 -2.12 0.00 0.00 175.29 175.84 2d86 n VAL 37 N -0.31 -0.34 0.25 1.09 0.24 -1.26 -0.01 118.33 117.99 2d86 n VAL 37 Ca -0.11 1.63 -0.14 0.00 -2.04 0.00 0.00 64.34 63.68 2d86 n VAL 37 Cb 0.63 -2.64 -0.08 0.00 -1.47 0.00 0.00 33.84 30.29 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 -1.07 -0.92 6.34 3.04 -1.95 0.41 116.94 122.80 2d86 h PHE 38 Ca 0.67 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.75 2d86 h PHE 38 Cb 1.75 0.41 -0.14 0.00 2.56 0.00 0.00 35.95 40.53 2d86 h PHE 38 CO -0.03 -0.53 -0.44 -0.44 -2.02 0.00 0.00 178.31 174.84 2d86 h ASP 39 N -0.81 -1.62 0.43 0.41 5.19 -0.83 1.34 116.42 120.53 2d86 h ASP 39 Ca -0.06 0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2d86 h ASP 39 Cb 0.69 0.79 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 2d86 h ASP 39 CO -0.02 -0.28 -0.20 0.25 -3.12 0.00 0.00 179.24 175.87 2d86 h LEU 40 N -0.04 0.00 0.00 1.55 5.85 -1.36 -1.59 115.31 119.72 2d86 h LEU 40 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2d86 h LEU 40 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2d86 h LEU 40 CO -0.92 0.20 -0.04 0.00 -0.34 0.00 0.00 178.44 177.34 2d86 n ALA 41 N -2.34 2.37 -0.09 1.25 0.00 0.41 -3.84 120.51 118.27 2d86 n ALA 41 Ca -0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 2d86 n ALA 41 Cb 0.31 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 2d86 n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d86 h GLN 42 N 0.00 0.00 -0.04 0.00 4.20 1.00 -1.82 115.11 118.45 2d86 h GLN 42 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2d86 h GLN 42 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2d86 h GLN 42 CO 0.00 0.97 0.45 0.00 -0.67 0.00 0.00 178.83 179.58 2d86 h THR 43 N -1.00 0.02 0.00 -0.54 1.03 -1.61 0.23 112.91 111.05 2d86 h THR 43 Ca -0.23 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.07 2d86 h THR 43 Cb 1.18 0.56 -0.02 0.00 -1.07 0.00 0.00 68.15 68.81 2d86 h THR 43 CO -0.14 0.00 -1.72 0.18 -0.01 0.00 0.00 175.52 173.83 2d86 n LEU 44 N -2.89 0.00 -0.58 0.00 4.77 -1.25 -4.50 117.00 112.55 2d86 n LEU 44 Ca -0.01 0.00 0.46 0.00 -0.03 0.00 0.00 56.01 56.44 2d86 n LEU 44 Cb 0.50 0.14 0.76 0.00 -2.33 0.00 0.00 43.42 42.48 2d86 n LEU 44 CO 0.12 0.14 1.38 -0.09 -1.33 0.00 0.00 177.39 177.61 2d86 h ARG 45 N 0.00 0.02 -0.04 3.23 2.43 0.37 1.73 114.38 122.12 2d86 h ARG 45 Ca -0.15 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.78 2d86 h ARG 45 Cb 1.12 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2d86 h ARG 45 CO 0.01 0.01 -0.93 -0.44 -1.51 0.00 0.00 179.97 177.11 2d86 h ASP 46 N 0.02 0.75 0.00 -3.80 3.32 -1.79 -3.41 116.42 111.50 2d86 h ASP 46 Ca 0.88 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2d86 h ASP 46 Cb 3.26 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 42.58 2d86 h ASP 46 CO -0.18 1.36 0.00 0.61 -1.72 0.00 0.00 179.24 179.31 2d86 n GLY 47 N 0.91 0.70 0.09 2.75 0.00 0.59 -4.30 105.19 105.92 2d86 n GLY 47 Ca -0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 2d86 n GLY 47 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2d86 h VAL 48 N 0.00 0.78 0.00 1.61 2.07 -1.85 -3.37 116.25 115.49 2d86 h VAL 48 Ca 0.00 -2.45 -0.08 0.00 0.82 0.00 0.00 66.70 64.99 2d86 h VAL 48 Cb 0.00 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2d86 h VAL 48 CO 0.00 0.45 -0.47 0.25 0.02 0.00 0.00 177.57 177.82 2d86 h LEU 49 N 0.00 0.00 -0.86 2.57 5.85 -1.88 -3.35 115.31 117.64 2d86 h LEU 49 Ca -0.20 -0.69 0.13 0.00 0.84 0.00 0.00 57.88 57.96 2d86 h LEU 49 Cb 1.78 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.68 2d86 h LEU 49 CO 0.07 1.12 -0.34 0.18 -0.34 0.00 0.00 178.44 179.12 2d86 n LEU 50 N -4.56 -0.58 -0.34 2.25 4.77 -1.26 0.19 117.00 117.47 2d86 n LEU 50 Ca -0.17 1.50 0.10 0.00 -0.03 0.00 0.00 56.01 57.41 2d86 n LEU 50 Cb 0.50 -0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.52 2d86 n LEU 50 CO 0.25 -1.35 1.17 0.00 -1.33 0.00 0.00 177.39 176.13 2d86 h GLN 52 N 0.77 -0.23 -0.95 0.00 4.20 0.19 -2.45 115.11 116.64 2d86 h GLN 52 Ca 0.52 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.37 2d86 h GLN 52 Cb 0.73 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 28.42 2d86 h GLN 52 CO -0.35 -0.12 -0.44 -0.11 -0.67 0.00 0.00 178.83 177.13 2d86 n LEU 53 N -5.18 -0.77 -0.33 1.46 7.94 -0.69 0.82 117.00 120.26 2d86 n LEU 53 Ca -0.09 1.66 -0.04 0.00 -1.11 0.00 0.00 56.01 56.44 2d86 n LEU 53 Cb 0.13 -0.31 0.09 0.00 0.53 0.00 0.00 43.42 43.85 2d86 n LEU 53 CO 0.34 -1.44 1.21 -0.07 -1.11 0.00 0.00 177.39 176.32 2d86 h LEU 54 N 0.00 1.06 -2.30 -1.96 3.38 -1.49 -1.06 115.31 112.94 2d86 h LEU 54 Ca 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2d86 h LEU 54 Cb 0.49 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2d86 h LEU 54 CO -0.92 0.81 -0.03 0.78 0.09 0.00 0.00 178.44 179.17 2d86 h ASN 55 N 1.22 0.00 0.07 -0.43 2.35 0.91 -0.84 115.58 118.86 2d86 h ASN 55 Ca 0.32 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.96 2d86 h ASN 55 Cb -0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.32 2d86 h ASN 55 CO -0.06 0.03 -0.51 0.78 -1.65 0.00 0.00 177.43 176.03 2d86 h ASN 56 N 0.00 0.24 0.32 5.81 2.35 0.75 -3.38 115.58 121.66 2d86 h ASN 56 Ca -0.00 -0.95 -0.02 0.00 -0.55 0.00 0.00 56.30 54.78 2d86 h ASN 56 Cb 0.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2d86 h ASN 56 CO 0.00 1.24 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.80 2d86 h LEU 57 N -0.67 -0.36 -9.46 1.61 3.38 -1.12 -3.45 115.31 105.23 2d86 h LEU 57 Ca -0.10 -0.16 -0.57 0.00 0.09 0.00 0.00 57.88 57.15 2d86 h LEU 57 Cb 1.35 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 42.09 2d86 h LEU 57 CO 0.07 -0.02 -0.67 -0.60 0.09 0.00 0.00 178.44 177.30 2d86 s ARG 58 N -4.81 2.13 0.05 1.13 3.52 -0.35 -4.89 118.95 115.73 2d86 s ARG 58 Ca -0.14 -1.51 -0.11 0.00 -0.13 0.00 0.00 55.73 53.84 2d86 s ARG 58 Cb 0.02 -2.06 -0.06 0.00 -1.56 0.00 0.00 34.95 31.30 2d86 s ARG 58 CO 0.55 0.36 0.39 0.00 -0.81 0.00 0.00 175.30 175.79 2d86 s ALA 59 N -2.37 3.73 -1.49 6.12 0.00 -1.26 -4.16 121.76 122.32 2d86 s ALA 59 Ca 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 2d86 s ALA 59 Cb -0.06 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2d86 s ALA 59 CO 0.19 0.55 0.63 0.72 0.00 0.00 0.00 175.76 177.84 2d86 n HIS 60 N 1.16 -1.96 0.05 0.00 8.25 -1.26 -4.91 115.22 116.55 2d86 n HIS 60 Ca -0.10 0.54 -0.20 0.00 -0.26 0.00 0.00 57.72 57.70 2d86 n HIS 60 Cb 0.52 -4.43 -0.14 0.00 1.12 0.00 0.00 29.99 27.06 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 -1.44 0.51 -3.26 0.41 0.02 -1.85 -3.46 113.55 104.48 2d86 h SER 61 Ca -0.52 -0.93 -0.22 0.00 -0.84 0.00 0.00 61.79 59.29 2d86 h SER 61 Cb 1.35 -0.16 -0.31 0.00 0.14 0.00 0.00 62.40 63.42 2d86 h SER 61 CO 0.55 1.40 -0.53 -0.63 -1.14 0.00 0.00 176.83 176.48 2d86 s ILE 62 N -2.53 -0.13 -0.47 3.27 1.01 -1.26 -4.77 121.20 116.32 2d86 s ILE 62 Ca -0.13 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.43 2d86 s ILE 62 Cb 0.01 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.14 2d86 s ILE 62 CO 0.84 0.08 1.44 0.21 0.00 0.00 0.00 174.94 177.51 2d86 s ASN 63 N 1.53 6.21 0.45 3.58 3.84 -1.26 -4.87 114.94 124.43 2d86 s ASN 63 Ca -0.06 0.62 0.26 0.00 0.21 0.00 0.00 52.86 53.89 2d86 s ASN 63 Cb -0.11 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.34 2d86 s ASN 63 CO -0.08 -1.57 1.77 -0.07 -2.79 0.00 0.00 177.10 174.36 2d86 h LEU 64 N 12.70 0.27 -0.95 3.21 3.38 -1.98 0.65 115.31 132.59 2d86 h LEU 64 Ca -0.27 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2d86 h LEU 64 Cb 1.10 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2d86 h LEU 64 CO 1.12 0.03 -0.16 0.11 0.09 0.00 0.00 178.44 179.63 2d86 h LYS 65 N 0.23 0.58 0.00 1.13 1.79 -2.03 -2.39 116.57 115.87 2d86 h LYS 65 Ca 0.60 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.85 2d86 h LYS 65 Cb 1.86 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.46 2d86 h LYS 65 CO -0.20 0.72 -0.13 0.93 -1.08 0.00 0.00 179.45 179.68 2d86 h GLU 66 N 0.52 0.00 -5.97 3.15 4.39 -0.07 -3.42 114.58 113.18 2d86 h GLU 66 Ca 0.09 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.12 2d86 h GLU 66 Cb 0.58 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.11 2d86 h GLU 66 CO 0.04 0.13 -0.59 0.96 -1.16 0.00 0.00 179.01 178.39 2d86 s ILE 67 N -4.09 4.58 -0.99 3.13 -4.36 -0.90 -5.00 121.20 113.57 2d86 s ILE 67 Ca -0.02 -0.29 -0.23 0.00 -0.26 0.00 0.00 60.65 59.85 2d86 s ILE 67 Cb 0.13 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.86 2d86 s ILE 67 CO 0.59 0.50 1.55 0.20 0.24 0.00 0.00 174.94 178.01 2d86 s ASN 68 N -1.26 6.23 0.46 4.36 0.01 -1.26 -4.82 114.94 118.65 2d86 s ASN 68 Ca 0.17 -1.28 0.22 0.00 -0.71 0.00 0.00 52.86 51.27 2d86 s ASN 68 Cb -0.12 -2.57 1.22 0.00 0.41 0.00 0.00 41.25 40.20 2d86 s ASN 68 CO 0.07 -1.76 1.88 -0.07 -1.51 0.00 0.00 177.10 175.72 2d86 h LEU 69 N 13.80 0.25 -7.20 0.60 3.38 -1.93 -3.12 115.31 121.10 2d86 h LEU 69 Ca 0.17 0.03 -0.65 0.00 0.09 0.00 0.00 57.88 57.51 2d86 h LEU 69 Cb 1.01 -0.02 -0.39 0.00 0.09 0.00 0.00 40.66 41.35 2d86 h LEU 69 CO 1.38 0.10 -0.40 -0.60 0.09 0.00 0.00 178.44 179.02 2d86 s ARG 70 N -5.26 2.72 0.50 1.13 6.06 -1.26 -4.90 118.95 117.94 2d86 s ARG 70 Ca -0.07 -3.25 0.28 0.00 -2.50 0.00 0.00 55.73 50.19 2d86 s ARG 70 Cb 0.22 -3.62 1.19 0.00 0.06 0.00 0.00 34.95 32.80 2d86 s ARG 70 CO 0.77 -1.26 1.93 -1.00 -2.50 0.00 0.00 175.30 173.24 2d86 h PRO 71 N 5.74 0.00 -6.34 5.12 0.13 -1.94 -3.47 132.00 131.24 2d86 h PRO 71 Ca 0.13 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.78 2d86 h PRO 71 Cb 0.79 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2d86 h PRO 71 CO 0.76 0.13 -0.80 1.04 -0.23 0.00 0.00 178.00 178.90 2d86 n GLN 72 N -3.32 -4.80 -3.51 0.86 6.02 -1.26 -1.57 117.38 109.80 2d86 n GLN 72 Ca -0.00 0.55 -0.18 0.00 -0.01 0.00 0.00 57.00 57.35 2d86 n GLN 72 Cb 0.35 -5.25 0.07 0.00 1.02 0.00 0.00 30.24 26.43 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 -4.52 -6.11 -3.91 -1.09 2.81 -1.26 -4.98 117.12 98.05 2d86 n MET 73 Ca -0.07 0.78 -0.36 0.00 -1.81 0.00 0.00 57.70 56.24 2d86 n MET 73 Cb 0.57 -5.66 -0.12 0.00 -0.71 0.00 0.00 33.22 27.30 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 -4.36 5.18 0.04 7.83 0.01 -0.61 -5.00 113.70 116.79 2d86 s SER 74 Ca 0.00 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 2d86 s SER 74 Cb -0.00 -1.91 -0.17 0.00 0.21 0.00 0.00 66.02 64.15 2d86 s SER 74 CO 0.75 0.04 1.52 -0.61 0.41 0.00 0.00 173.24 175.36 2d86 h GLN 75 N 7.66 -0.15 -0.17 12.44 4.15 -1.94 0.30 115.11 137.40 2d86 h GLN 75 Ca -0.37 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.09 2d86 h GLN 75 Cb 1.18 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2d86 h GLN 75 CO 0.61 0.06 0.02 0.74 -1.93 0.00 0.00 178.83 178.33 2d86 h PHE 76 N -0.34 0.03 0.03 3.99 0.04 -1.98 -0.75 116.94 117.96 2d86 h PHE 76 Ca -0.02 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2d86 h PHE 76 Cb 0.28 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2d86 h PHE 76 CO -0.01 -0.00 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.61 2d86 h LEU 77 N 0.08 -0.04 0.07 1.54 3.38 -1.91 -2.58 115.31 115.86 2d86 h LEU 77 Ca 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2d86 h LEU 77 Cb 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2d86 h LEU 77 CO -0.12 0.16 -0.20 0.00 0.09 0.00 0.00 178.44 178.37 2d86 h LEU 79 N -0.30 0.11 0.23 0.00 3.38 -1.21 0.22 115.31 117.74 2d86 h LEU 79 Ca -0.01 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2d86 h LEU 79 Cb 0.29 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2d86 h LEU 79 CO -0.09 -0.26 -0.11 0.50 0.09 0.00 0.00 178.44 178.57 2d86 h LYS 80 N 0.15 -0.29 0.12 1.13 3.11 -0.95 -2.80 116.57 117.04 2d86 h LYS 80 Ca 0.68 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 58.55 2d86 h LYS 80 Cb 1.54 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 32.80 2d86 h LYS 80 CO -0.72 -0.17 -0.47 -0.91 -2.81 0.00 0.00 179.45 174.36 2d86 h ASN 81 N -0.33 -1.40 -0.98 4.20 2.35 0.11 -2.19 115.58 117.34 2d86 h ASN 81 Ca -0.03 0.15 0.17 0.00 -0.55 0.00 0.00 56.30 56.03 2d86 h ASN 81 Cb 0.26 0.51 -0.17 0.00 0.05 0.00 0.00 38.32 38.97 2d86 h ASN 81 CO 0.05 -0.50 -0.34 0.40 -1.65 0.00 0.00 177.43 175.40 2d86 h ILE 82 N -0.68 0.01 -0.55 2.81 2.04 -1.35 0.48 117.51 120.27 2d86 h ILE 82 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 2d86 h ILE 82 Cb 0.68 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 2d86 h ILE 82 CO -0.24 0.00 0.10 0.03 0.00 0.00 0.00 178.15 178.04 2d86 h ARG 83 N -0.01 0.22 -0.87 2.37 3.08 -1.15 -0.90 114.38 117.13 2d86 h ARG 83 Ca 0.39 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.62 2d86 h ARG 83 Cb 0.64 -0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.52 2d86 h ARG 83 CO -0.99 0.15 0.38 1.15 -1.07 0.00 0.00 179.97 179.60 2d86 h THR 84 N 0.23 0.54 -0.45 2.04 2.02 0.55 0.81 112.91 118.65 2d86 h THR 84 Ca 0.29 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 2d86 h THR 84 Cb 0.41 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2d86 h THR 84 CO -0.38 0.08 0.03 0.15 0.37 0.00 0.00 175.52 175.76 2d86 h PHE 85 N 0.44 0.84 -0.46 3.16 3.04 -0.85 -1.77 116.94 121.34 2d86 h PHE 85 Ca 0.53 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 62.32 2d86 h PHE 85 Cb 0.94 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 2d86 h PHE 85 CO -0.14 0.81 0.21 -0.07 -2.02 0.00 0.00 178.31 177.11 2d86 h LEU 86 N 0.63 0.57 -0.05 0.59 3.38 -0.40 -2.24 115.31 117.79 2d86 h LEU 86 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2d86 h LEU 86 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2d86 h LEU 86 CO 0.02 0.49 -0.10 0.74 0.09 0.00 0.00 178.44 179.68 2d86 h THR 87 N 0.64 1.42 -0.02 0.22 2.02 -0.81 -3.06 112.91 113.32 2d86 h THR 87 Ca 0.16 -1.40 0.01 0.00 0.77 0.00 0.00 66.41 65.94 2d86 h THR 87 Cb 0.08 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2d86 h THR 87 CO -0.02 0.39 0.05 0.00 0.37 0.00 0.00 175.52 176.30 2d86 h ALA 88 N 0.48 1.32 0.00 6.16 0.00 -1.10 0.25 119.26 126.38 2d86 h ALA 88 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2d86 h ALA 88 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2d86 h ALA 88 CO 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 2d86 n GLU 91 N -1.64 0.59 -0.01 0.00 -0.58 0.65 -3.23 120.64 116.42 2d86 n GLU 91 Ca -0.01 0.50 -0.17 0.00 -0.42 0.00 0.00 57.16 57.06 2d86 n GLU 91 Cb 0.16 -1.71 -0.14 0.00 -0.57 0.00 0.00 31.44 29.19 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 -0.87 1.61 0.00 2.62 2.02 -1.04 -3.42 112.91 113.83 2d86 h THR 92 Ca -0.40 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.34 2d86 h THR 92 Cb 1.43 3.25 0.00 0.00 -1.74 0.00 0.00 68.15 71.08 2d86 h THR 92 CO -0.21 0.65 -0.61 0.49 0.37 0.00 0.00 175.52 176.21 2d86 n PHE 93 N -4.36 0.54 0.00 3.16 3.01 -1.08 -5.06 117.46 113.67 2d86 n PHE 93 Ca -0.13 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2d86 n PHE 93 Cb 0.66 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 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 1.57 0.75 3.64 1.37 0.00 -0.32 -4.93 105.19 107.26 2d86 n GLY 94 Ca -0.09 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 2d86 n GLY 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d86 n MET 95 N 0.00 0.63 -1.66 1.61 2.81 -0.37 -4.93 117.12 115.21 2d86 n MET 95 Ca 0.00 -2.92 -0.34 0.00 -1.81 0.00 0.00 57.70 52.63 2d86 n MET 95 Cb 0.00 -0.21 0.06 0.00 -0.71 0.00 0.00 33.22 32.36 2d86 n MET 95 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2d86 s ARG 96 N -4.44 2.56 0.05 0.03 0.52 -1.26 -4.69 118.95 111.72 2d86 s ARG 96 Ca 0.56 1.56 0.22 0.00 -0.52 0.00 0.00 55.73 57.56 2d86 s ARG 96 Cb -0.04 -1.91 -0.14 0.00 0.52 0.00 0.00 34.95 33.38 2d86 s ARG 96 CO 0.36 -1.47 0.80 1.17 0.02 0.00 0.00 175.30 176.18 2d86 n LYS 97 N -2.46 0.50 0.11 3.54 4.81 -1.26 -4.12 118.16 119.29 2d86 n LYS 97 Ca 0.12 -0.05 -0.21 0.00 -0.87 0.00 0.00 58.31 57.30 2d86 n LYS 97 Cb 0.51 -1.62 -0.15 0.00 0.02 0.00 0.00 35.03 33.80 2d86 n LYS 97 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2d86 h SER 98 N 0.00 0.62 -0.33 3.14 0.87 -2.02 -3.33 113.55 112.49 2d86 h SER 98 Ca 0.00 -0.71 -0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2d86 h SER 98 Cb 0.89 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2d86 h SER 98 CO 0.00 1.57 0.20 -0.33 -0.53 0.00 0.00 176.83 177.74 2d86 h GLU 99 N 0.11 0.46 -5.53 2.24 3.07 -1.98 -3.44 114.58 109.50 2d86 h GLU 99 Ca -0.23 -0.04 -0.52 0.00 -0.50 0.00 0.00 59.36 58.07 2d86 h GLU 99 Cb 2.08 -0.09 0.21 0.00 -0.84 0.00 0.00 28.75 30.10 2d86 h GLU 99 CO 0.23 0.35 -1.54 1.28 -1.40 0.00 0.00 179.01 177.92 2d86 n LEU 100 N -4.81 -4.99 -4.96 1.33 4.77 -1.25 -4.77 117.00 102.32 2d86 n LEU 100 Ca -0.01 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2d86 n LEU 100 Cb 0.05 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2d86 n LEU 100 CO 0.35 -5.27 0.21 0.72 -1.33 0.00 0.00 177.39 172.07 2d86 s PHE 101 N -1.84 3.22 -0.21 -1.77 -0.12 -1.26 -5.05 117.98 110.95 2d86 s PHE 101 Ca 0.41 0.12 -0.28 0.00 -0.05 0.00 0.00 56.93 57.13 2d86 s PHE 101 Cb -0.25 -2.18 0.00 0.00 -0.63 0.00 0.00 43.02 39.97 2d86 s PHE 101 CO 0.72 -0.21 0.99 -1.21 -0.05 0.00 0.00 175.22 175.45 2d86 s GLU 102 N -4.43 4.28 0.30 1.99 2.02 -1.26 -4.93 118.70 116.68 2d86 s GLU 102 Ca 0.46 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.73 2d86 s GLU 102 Cb -0.10 -3.62 0.71 0.00 0.10 0.00 0.00 34.13 31.22 2d86 s GLU 102 CO 0.36 -0.54 1.54 0.00 0.02 0.00 0.00 175.26 176.64 2d86 n ALA 103 N 5.96 0.47 0.33 5.21 0.00 -1.26 -0.36 120.51 130.86 2d86 n ALA 103 Ca 0.10 1.06 -0.17 0.00 0.00 0.00 0.00 53.44 54.42 2d86 n ALA 103 Cb 0.47 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.89 -0.91 0.00 3.57 -1.97 -0.95 116.94 115.79 2d86 h PHE 104 Ca 0.58 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 62.41 2d86 h PHE 104 Cb 1.16 0.31 -0.17 0.00 2.79 0.00 0.00 35.95 40.04 2d86 h PHE 104 CO -0.54 -0.52 0.35 -0.25 -2.23 0.00 0.00 178.31 175.13 2d86 n ASP 105 N -5.48 0.20 -0.01 0.41 9.92 0.51 -0.13 116.55 121.97 2d86 n ASP 105 Ca -0.13 1.52 -0.11 0.00 -0.53 0.00 0.00 54.79 55.55 2d86 n ASP 105 Cb 0.37 -0.69 -0.09 0.00 -0.64 0.00 0.00 41.12 40.08 2d86 n ASP 105 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2d86 h LEU 106 N 0.00 -0.08 0.02 0.64 5.85 -1.17 0.41 115.31 120.99 2d86 h LEU 106 Ca 0.71 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2d86 h LEU 106 Cb 1.78 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 2d86 h LEU 106 CO -0.75 0.60 -0.24 0.15 -0.34 0.00 0.00 178.44 177.86 2d86 h PHE 107 N -0.88 -0.71 0.00 1.25 3.57 0.86 -0.04 116.94 120.99 2d86 h PHE 107 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2d86 h PHE 107 Cb 0.61 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2d86 h PHE 107 CO 0.14 -0.27 0.00 -3.47 -2.23 0.00 0.00 178.31 172.48 2d86 n ASP 108 N -3.84 0.00 -3.40 0.41 -0.08 0.41 -4.86 116.55 105.19 2d86 n ASP 108 Ca -0.04 0.11 -0.24 0.00 -1.51 0.00 0.00 54.79 53.11 2d86 n ASP 108 Cb 0.18 -0.31 0.05 0.00 2.34 0.00 0.00 41.12 43.38 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 -1.31 -2.28 0.15 5.18 0.31 -0.03 -4.93 118.33 115.41 2d86 n VAL 109 Ca 0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.34 2d86 n VAL 109 Cb 0.14 -3.43 -0.03 0.00 -0.91 0.00 0.00 33.84 29.61 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 -1.95 -0.39 -3.24 5.55 3.08 -0.47 -3.41 114.38 113.55 2d86 h ARG 110 Ca -0.54 0.03 -0.63 0.00 0.07 0.00 0.00 59.98 58.90 2d86 h ARG 110 Cb 1.36 0.09 -0.41 0.00 0.08 0.00 0.00 29.97 31.09 2d86 h ARG 110 CO 0.58 -0.26 -0.62 -0.51 -1.07 0.00 0.00 179.97 178.09 2d86 s ASP 111 N -3.69 4.44 0.16 7.04 1.01 -1.22 -4.93 116.67 119.47 2d86 s ASP 111 Ca -0.06 -3.31 -0.10 0.00 0.71 0.00 0.00 52.55 49.79 2d86 s ASP 111 Cb 0.01 -1.60 0.01 0.00 1.01 0.00 0.00 42.92 42.35 2d86 s ASP 111 CO 0.18 -0.18 1.55 0.15 0.21 0.00 0.00 175.17 177.08 2d86 h PHE 112 N 6.09 1.15 -1.33 4.23 3.57 -1.80 -2.97 116.94 125.88 2d86 h PHE 112 Ca 0.01 -0.28 0.38 0.00 3.53 0.00 0.00 57.97 61.62 2d86 h PHE 112 Cb 0.84 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 2d86 h PHE 112 CO 0.58 1.11 0.94 0.78 -2.23 0.00 0.00 178.31 179.49 2d86 h GLY 113 N 0.87 0.15 1.61 2.40 0.00 -1.98 0.80 103.07 106.92 2d86 h GLY 113 Ca 0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2d86 h GLY 113 CO 0.07 -0.03 -0.29 0.50 0.00 0.00 0.00 176.54 176.79 2d86 h LYS 114 N 0.03 0.45 -0.21 4.80 1.57 -1.95 -2.91 116.57 118.36 2d86 h LYS 114 Ca 0.65 -0.18 -0.20 0.00 -1.87 0.00 0.00 60.65 59.04 2d86 h LYS 114 Cb 2.50 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.79 2d86 h LYS 114 CO -0.05 0.70 -0.66 0.28 -0.57 0.00 0.00 179.45 179.16 2d86 h VAL 115 N 0.40 1.28 -0.61 0.50 2.07 0.47 -3.08 116.25 117.28 2d86 h VAL 115 Ca 0.05 -1.85 0.06 0.00 0.82 0.00 0.00 66.70 65.78 2d86 h VAL 115 Cb 0.71 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 2d86 h VAL 115 CO 0.05 0.59 0.33 0.40 0.02 0.00 0.00 177.57 178.96 2d86 h ILE 116 N 0.57 0.95 -0.66 4.57 2.04 -1.33 -2.18 117.51 121.47 2d86 h ILE 116 Ca -0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2d86 h ILE 116 Cb 1.28 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2d86 h ILE 116 CO 0.14 0.11 0.42 -0.08 0.00 0.00 0.00 178.15 178.74 2d86 h GLU 117 N 0.61 0.88 -1.14 2.37 4.57 -1.54 -2.12 114.58 118.21 2d86 h GLU 117 Ca 0.27 -0.06 0.32 0.00 -1.18 0.00 0.00 59.36 58.71 2d86 h GLU 117 Cb 0.18 -0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 28.49 2d86 h GLU 117 CO -0.18 0.60 0.76 1.15 -1.18 0.00 0.00 179.01 180.16 2d86 h THR 118 N 0.90 0.42 0.10 0.32 2.02 -1.30 0.50 112.91 115.86 2d86 h THR 118 Ca 0.24 -0.08 -0.26 0.00 0.77 0.00 0.00 66.41 67.08 2d86 h THR 118 Cb -0.07 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2d86 h THR 118 CO -0.05 0.04 -1.22 -0.07 0.37 0.00 0.00 175.52 174.60 2d86 h LEU 119 N 0.23 0.32 -1.30 2.58 3.38 -1.35 -3.14 115.31 116.03 2d86 h LEU 119 Ca 0.63 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2d86 h LEU 119 Cb 1.92 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.50 2d86 h LEU 119 CO -0.24 1.28 0.57 0.28 0.09 0.00 0.00 178.44 180.42 2d86 h SER 120 N 0.06 0.64 0.02 -0.43 0.02 0.31 -1.98 113.55 112.19 2d86 h SER 120 Ca -0.12 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2d86 h SER 120 Cb 1.93 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.38 2d86 h SER 120 CO 0.18 0.33 -0.01 0.03 -1.14 0.00 0.00 176.83 176.22 2d86 h ARG 121 N 0.68 -0.02 -0.83 3.45 3.08 -1.54 -3.33 114.38 115.86 2d86 h ARG 121 Ca 0.44 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.68 2d86 h ARG 121 Cb 0.71 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 30.62 2d86 h ARG 121 CO -0.20 0.74 -0.09 1.25 -1.07 0.00 0.00 179.97 180.60 2d86 h LEU 122 N -0.88 -0.57 -1.26 3.04 5.85 -1.39 0.47 115.31 120.56 2d86 h LEU 122 Ca -0.00 0.24 0.42 0.00 0.84 0.00 0.00 57.88 59.37 2d86 h LEU 122 Cb 0.77 0.45 -0.14 0.00 0.37 0.00 0.00 40.66 42.11 2d86 h LEU 122 CO 0.00 -0.25 0.75 0.77 -0.34 0.00 0.00 178.44 179.37 2d86 h SER 123 N 0.04 0.30 -0.65 1.25 4.64 -1.48 0.78 113.55 118.43 2d86 h SER 123 Ca 0.44 0.17 0.07 0.00 -0.47 0.00 0.00 61.79 62.00 2d86 h SER 123 Cb 0.76 0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 2d86 h SER 123 CO -0.80 -0.23 0.33 0.08 -0.87 0.00 0.00 176.83 175.35 2d86 h ARG 124 N 0.10 0.58 -4.81 4.77 0.11 -0.22 -3.22 114.38 111.69 2d86 h ARG 124 Ca 0.81 -0.04 -0.50 0.00 0.10 0.00 0.00 59.98 60.36 2d86 h ARG 124 Cb 2.38 -0.13 0.12 0.00 1.11 0.00 0.00 29.97 33.45 2d86 h ARG 124 CO -0.52 0.39 -0.75 0.25 0.10 0.00 0.00 179.97 179.44 2d86 n THR 125 N -4.85 0.56 0.97 0.08 -2.24 0.27 -4.66 114.28 104.42 2d86 n THR 125 Ca 0.09 -0.40 0.06 0.00 -2.27 0.00 0.00 64.05 61.53 2d86 n THR 125 Cb 0.21 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.06 0.49 -0.11 -0.78 -0.04 -1.26 -2.38 135.00 131.98 2d86 n PRO 126 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2d86 n PRO 126 Cb 0.31 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.90 1.41 0.10 0.52 -0.00 -1.26 -3.71 119.36 115.53 2d86 n ILE 127 Ca 0.09 -0.79 -0.23 0.00 -0.00 0.00 0.00 62.75 61.82 2d86 n ILE 127 Cb 0.04 -0.68 -0.15 0.00 -0.00 0.00 0.00 39.64 38.86 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 0.77 -0.11 -0.40 -1.39 0.00 -1.67 -3.34 119.26 113.13 2d86 h ALA 128 Ca -0.56 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 53.42 2d86 h ALA 128 Cb 2.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 2d86 h ALA 128 CO 0.00 0.58 -0.36 -0.07 0.00 0.00 0.00 179.25 179.40 2d86 h LEU 129 N -0.00 0.99 -0.88 0.00 3.38 -1.53 -3.19 115.31 114.07 2d86 h LEU 129 Ca -0.21 -0.44 0.20 0.00 0.09 0.00 0.00 57.88 57.52 2d86 h LEU 129 Cb 1.94 -0.28 -0.16 0.00 0.09 0.00 0.00 40.66 42.25 2d86 h LEU 129 CO 0.23 1.24 -0.12 0.00 0.09 0.00 0.00 178.44 179.88 2d86 h ALA 130 N 0.81 0.76 -0.52 1.53 0.00 -1.67 1.07 119.26 121.24 2d86 h ALA 130 Ca 0.07 0.32 0.09 0.00 0.00 0.00 0.00 54.91 55.39 2d86 h ALA 130 Cb 0.95 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2d86 h ALA 130 CO 0.09 -0.44 0.35 1.79 0.00 0.00 0.00 179.25 181.04 2d86 h THR 131 N 0.02 0.89 0.00 0.00 1.35 -1.68 -3.46 112.91 110.03 2d86 h THR 131 Ca 0.46 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2d86 h THR 131 Cb 0.79 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2d86 h THR 131 CO -0.86 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.07 2d86 n GLY 132 N -1.54 0.80 3.74 5.82 0.00 0.37 -5.05 105.19 109.32 2d86 n GLY 132 Ca 0.08 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 4.53 -0.64 -0.61 1.01 -1.26 -4.86 121.20 117.38 2d86 s ILE 133 Ca 0.00 1.92 -0.14 0.00 0.00 0.00 0.00 60.65 62.42 2d86 s ILE 133 Cb 0.00 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 38.05 2d86 s ILE 133 CO 0.00 0.35 1.60 0.54 0.00 0.00 0.00 174.94 177.43 2d86 n ARG 134 N 2.64 0.00 -1.22 2.79 5.12 -1.26 -4.82 116.66 119.91 2d86 n ARG 134 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 2d86 n ARG 134 Cb 0.49 -0.84 0.12 0.00 -1.16 0.00 0.00 32.46 31.07 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 5.29 1.61 0.72 5.56 0.04 -1.26 -4.90 135.00 142.05 2d86 s PRO 135 Ca 0.86 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2d86 s PRO 135 Cb -0.71 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.02 2d86 s PRO 135 CO 0.33 -2.03 1.08 -0.06 0.04 0.00 0.00 177.00 176.36 2d86 s PHE 136 N -2.92 2.78 -0.20 0.56 0.40 -1.26 -4.95 117.98 112.38 2d86 s PHE 136 Ca 0.63 1.51 -0.29 0.00 -0.60 0.00 0.00 56.93 58.18 2d86 s PHE 136 Cb -0.18 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 2d86 s PHE 136 CO 0.57 -1.56 1.60 -1.25 0.70 0.00 0.00 175.22 175.27 2d86 s PRO 137 N -4.78 3.85 -0.09 0.24 0.04 -1.26 -4.99 135.00 128.01 2d86 s PRO 137 Ca 0.61 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2d86 s PRO 137 Cb -0.17 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 2d86 s PRO 137 CO 0.52 -1.22 0.72 -1.12 0.04 0.00 0.00 177.00 175.95 2d86 s SER 138 N 4.02 6.97 0.00 6.66 0.01 -1.26 -4.96 113.70 125.14 2d86 s SER 138 Ca 0.71 1.17 0.00 0.00 1.31 0.00 0.00 55.95 59.13 2d86 s SER 138 Cb -0.25 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2d86 s SER 138 CO 0.28 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2d86 n GLY 139 N 3.22 4.43 0.18 3.44 0.00 -1.26 -4.94 105.19 110.26 2d86 n GLY 139 Ca -0.00 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.69 2d86 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d86 h PRO 140 N 0.00 0.00 -6.32 1.61 0.13 -2.02 -3.45 132.00 121.95 2d86 h PRO 140 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2d86 h PRO 140 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2d86 h PRO 140 CO 0.00 0.40 0.48 0.45 -0.23 0.00 0.00 178.00 179.10 2d86 n SER 141 N -3.81 1.83 -4.62 1.44 2.88 -1.26 -4.90 113.62 105.18 2d86 n SER 141 Ca -0.01 1.12 -0.42 0.00 -1.33 0.00 0.00 58.87 58.23 2d86 n SER 141 Cb 0.47 -1.23 -0.05 0.00 -0.75 0.00 0.00 64.21 62.64 2d86 n SER 141 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d86 s SER 142 N 0.47 6.68 0.00 -3.46 1.04 -1.26 -5.08 113.70 112.09 2d86 s SER 142 Ca 0.82 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2d86 s SER 142 Cb -0.89 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 62.83 2d86 s SER 142 CO 0.46 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.74