#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 6.46 -0.07 1.61 0.01 -1.26 -5.00 113.70 115.46 2d86 s SER 2 Ca 0.00 0.54 -0.24 0.00 1.31 0.00 0.00 55.95 57.55 2d86 s SER 2 Cb 0.00 -2.17 -0.26 0.00 0.21 0.00 0.00 66.02 63.79 2d86 s SER 2 CO 0.00 0.15 0.93 0.28 0.41 0.00 0.00 173.24 175.02 2d86 h SER 3 N 6.32 0.27 0.00 2.44 0.02 -2.12 -3.47 113.55 117.00 2d86 h SER 3 Ca -0.43 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.64 2d86 h SER 3 Cb 1.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2d86 h SER 3 CO 0.73 1.12 0.00 0.61 -1.14 0.00 0.00 176.83 178.14 2d86 n GLY 4 N 1.36 1.71 2.68 -3.77 0.00 -1.26 -4.47 105.19 101.43 2d86 n GLY 4 Ca -0.11 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.36 3.57 -0.17 1.61 0.15 -1.26 -5.11 113.70 109.13 2d86 s SER 5 Ca 0.00 -1.31 0.01 0.00 0.70 0.00 0.00 55.95 55.34 2d86 s SER 5 Cb 0.00 -0.64 0.01 0.00 -1.71 0.00 0.00 66.02 63.68 2d86 s SER 5 CO 0.00 -0.39 -0.18 -0.55 1.20 0.00 0.00 173.24 173.32 2d86 s SER 6 N 1.82 3.37 0.02 5.45 0.15 -1.26 -4.99 113.70 118.26 2d86 s SER 6 Ca 0.07 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2d86 s SER 6 Cb -0.17 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2d86 s SER 6 CO -0.24 0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2d86 n GLY 7 N 4.42 -0.07 2.92 9.45 0.00 -1.26 -5.09 105.19 115.55 2d86 n GLY 7 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.10 1.43 0.83 1.61 -2.45 -1.26 -5.14 119.30 113.22 2d86 s MET 8 Ca 0.00 -0.24 -0.10 0.00 -1.25 0.00 0.00 55.69 54.09 2d86 s MET 8 Cb 0.00 -1.44 0.09 0.00 1.25 0.00 0.00 34.83 34.73 2d86 s MET 8 CO 0.00 -0.20 1.11 -1.21 1.05 0.00 0.00 175.02 175.77 2d86 s GLU 9 N 1.47 1.76 0.39 4.11 8.01 -1.26 -4.92 118.70 128.25 2d86 s GLU 9 Ca -0.00 1.25 0.28 0.00 0.01 0.00 0.00 54.97 56.51 2d86 s GLU 9 Cb -0.13 -1.83 1.17 0.00 -4.31 0.00 0.00 34.13 29.03 2d86 s GLU 9 CO -0.05 -2.02 1.84 -1.00 0.01 0.00 0.00 175.26 174.04 2d86 h PRO 10 N -1.41 0.00 0.15 0.39 0.13 -2.02 -2.94 132.00 126.31 2d86 h PRO 10 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 2d86 h PRO 10 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 2d86 h PRO 10 CO 0.49 0.00 -1.45 0.11 -0.23 0.00 0.00 178.00 176.92 2d86 h TRP 11 N 0.00 0.59 -0.41 1.56 5.08 -1.99 -3.03 115.95 117.74 2d86 h TRP 11 Ca 0.00 -0.43 0.08 0.00 1.08 0.00 0.00 58.89 59.62 2d86 h TRP 11 Cb 0.41 -0.02 -0.07 0.00 -3.00 0.00 0.00 29.16 26.47 2d86 h TRP 11 CO 0.00 1.41 -0.05 0.87 -1.28 0.00 0.00 178.44 179.39 2d86 h LYS 12 N 0.09 0.05 -0.26 0.12 1.57 -1.89 -1.87 116.57 114.38 2d86 h LYS 12 Ca -0.22 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 2d86 h LYS 12 Cb 2.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 2d86 h LYS 12 CO 0.20 0.03 -0.25 -0.56 -0.57 0.00 0.00 179.45 178.31 2d86 h GLN 13 N 0.05 0.62 -1.01 3.15 3.07 -1.69 -3.11 115.11 116.19 2d86 h GLN 13 Ca 0.20 -0.32 0.26 0.00 0.09 0.00 0.00 58.65 58.88 2d86 h GLN 13 Cb 0.30 0.01 -0.13 0.00 0.08 0.00 0.00 27.48 27.74 2d86 h GLN 13 CO -0.38 0.92 0.59 0.00 0.09 0.00 0.00 178.83 180.05 2d86 h ALA 15 N 1.75 0.95 0.28 0.00 0.00 -1.29 -2.32 119.26 118.64 2d86 h ALA 15 Ca 0.66 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.76 2d86 h ALA 15 Cb 1.33 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2d86 h ALA 15 CO -0.50 -0.39 -0.27 1.96 0.00 0.00 0.00 179.25 180.06 2d86 h GLN 16 N 0.21 -0.52 -0.96 0.00 1.08 -0.99 -2.31 115.11 111.60 2d86 h GLN 16 Ca 0.44 0.04 0.32 0.00 -1.45 0.00 0.00 58.65 57.99 2d86 h GLN 16 Cb 0.78 0.12 -0.18 0.00 -0.05 0.00 0.00 27.48 28.15 2d86 h GLN 16 CO -0.58 -0.35 0.21 1.87 -0.95 0.00 0.00 178.83 179.04 2d86 n TRP 17 N -3.97 0.81 -0.03 2.96 -0.00 -0.92 0.87 117.44 117.17 2d86 n TRP 17 Ca -0.07 1.15 -0.09 0.00 -0.00 0.00 0.00 57.50 58.49 2d86 n TRP 17 Cb 0.25 -1.35 -0.03 0.00 -0.00 0.00 0.00 31.31 30.18 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 0.05 -0.68 5.87 3.38 -1.00 0.33 115.31 123.26 2d86 h LEU 18 Ca 0.68 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.72 2d86 h LEU 18 Cb 1.58 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 2d86 h LEU 18 CO -0.84 0.06 0.39 0.40 0.09 0.00 0.00 178.44 178.53 2d86 h ILE 19 N 0.14 1.00 -0.04 1.22 2.04 0.10 -1.66 117.51 120.31 2d86 h ILE 19 Ca 0.08 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 2d86 h ILE 19 Cb 0.06 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2d86 h ILE 19 CO -0.09 0.13 -0.56 0.45 0.00 0.00 0.00 178.15 178.09 2d86 h HIS 20 N 0.73 0.16 0.00 1.37 3.86 -0.90 -2.63 115.15 117.74 2d86 h HIS 20 Ca 0.29 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2d86 h HIS 20 Cb 0.14 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2d86 h HIS 20 CO -0.07 0.66 0.00 0.00 0.86 0.00 0.00 177.93 179.38 2d86 n LYS 22 N -1.09 -3.73 0.00 0.00 4.76 -0.99 -4.79 118.16 112.31 2d86 n LYS 22 Ca 0.10 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 2d86 n LYS 22 Cb 0.07 -4.37 0.00 0.00 -1.84 0.00 0.00 35.03 28.89 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 -2.82 0.00 -4.17 -0.18 0.24 -1.02 -4.91 118.33 105.47 2d86 n VAL 23 Ca -0.15 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 2d86 n VAL 23 Cb 0.59 -0.61 -0.12 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.88 2.30 0.48 1.34 1.43 -1.23 -4.99 118.68 115.12 2d86 s LEU 24 Ca 0.00 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 2d86 s LEU 24 Cb 0.00 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.69 2d86 s LEU 24 CO 0.00 -0.11 1.16 -2.16 0.23 0.00 0.00 176.35 175.46 2d86 s PRO 25 N -1.91 3.68 0.59 1.29 0.04 -1.26 -4.30 135.00 133.12 2d86 s PRO 25 Ca -0.01 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.06 2d86 s PRO 25 Cb -0.09 -2.32 1.77 0.00 0.04 0.00 0.00 34.50 33.90 2d86 s PRO 25 CO 0.02 -0.61 2.23 1.79 0.04 0.00 0.00 177.00 180.47 2d86 h THR 26 N 1.74 0.55 -0.40 1.26 1.35 -2.00 -0.48 112.91 114.92 2d86 h THR 26 Ca -0.49 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.23 2d86 h THR 26 Cb 1.25 0.98 -0.08 0.00 -1.73 0.00 0.00 68.15 68.57 2d86 h THR 26 CO 0.60 0.00 0.04 0.59 -0.25 0.00 0.00 175.52 176.49 2d86 n ASN 27 N -3.88 3.31 -3.39 5.36 3.02 -1.26 -4.97 115.26 113.45 2d86 n ASN 27 Ca -0.02 -3.42 -0.18 0.00 -0.03 0.00 0.00 54.58 50.93 2d86 n ASN 27 Cb 0.11 -0.62 0.17 0.00 -0.61 0.00 0.00 39.78 38.83 2d86 n ASN 27 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2d86 n HIS 28 N -0.81 -2.73 0.09 3.10 -0.00 -0.19 -4.93 115.22 109.74 2d86 n HIS 28 Ca 0.31 -0.23 -0.23 0.00 0.46 0.00 0.00 57.72 58.03 2d86 n HIS 28 Cb 1.06 -1.21 -0.15 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 0.00 0.42 -0.31 1.57 0.11 -1.96 -3.31 114.38 110.90 2d86 h ARG 29 Ca -0.23 -0.72 0.09 0.00 0.10 0.00 0.00 59.98 59.22 2d86 h ARG 29 Cb 0.77 0.27 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 2d86 h ARG 29 CO 0.14 1.35 0.32 -0.39 0.10 0.00 0.00 179.97 181.48 2d86 h VAL 30 N 0.08 0.48 -0.03 0.08 -1.51 -1.95 0.15 116.25 113.55 2d86 h VAL 30 Ca -0.32 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.07 2d86 h VAL 30 Cb 2.09 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2d86 h VAL 30 CO 0.20 0.00 -0.39 0.71 -1.23 0.00 0.00 177.57 176.85 2d86 h THR 31 N 0.00 1.29 -2.64 7.19 1.35 -1.92 -3.43 112.91 114.75 2d86 h THR 31 Ca 0.15 -1.38 -0.53 0.00 -0.55 0.00 0.00 66.41 64.10 2d86 h THR 31 Cb 0.78 1.71 0.03 0.00 -1.73 0.00 0.00 68.15 68.94 2d86 h THR 31 CO -0.00 0.40 1.03 0.26 -0.25 0.00 0.00 175.52 176.96 2d86 s TRP 32 N -4.15 2.35 0.45 4.73 0.52 0.53 -4.84 118.94 118.52 2d86 s TRP 32 Ca -0.03 0.21 0.31 0.00 0.02 0.00 0.00 56.10 56.61 2d86 s TRP 32 Cb 0.14 -4.04 1.43 0.00 -1.15 0.00 0.00 33.47 29.86 2d86 s TRP 32 CO 0.74 -4.19 1.64 -0.44 0.02 0.00 0.00 176.95 174.71 2d86 h ASP 33 N 8.36 0.23 -0.97 2.95 5.19 -1.86 1.00 116.42 131.33 2d86 h ASP 33 Ca -0.44 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.10 2d86 h ASP 33 Cb 1.21 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.77 2d86 h ASP 33 CO 0.94 -0.14 0.63 -1.28 -3.12 0.00 0.00 179.24 176.27 2d86 h SER 34 N 0.10 1.12 -2.67 6.45 0.87 -1.90 -3.44 113.55 114.08 2d86 h SER 34 Ca 0.80 -0.04 -0.55 0.00 -1.23 0.00 0.00 61.79 60.77 2d86 h SER 34 Cb 2.58 -0.28 0.21 0.00 -0.44 0.00 0.00 62.40 64.47 2d86 h SER 34 CO -0.36 0.82 -1.09 0.00 -0.53 0.00 0.00 176.83 175.67 2d86 n ALA 35 N -2.37 -3.52 -2.45 6.23 0.00 0.35 -5.02 120.51 113.72 2d86 n ALA 35 Ca 0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 2d86 n ALA 35 Cb 0.02 -1.52 -0.08 0.00 0.00 0.00 0.00 19.45 17.87 2d86 n ALA 35 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2d86 s GLN 36 N -2.52 0.96 0.24 0.00 -0.21 -1.26 -5.00 119.66 111.88 2d86 s GLN 36 Ca 0.52 -1.20 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 2d86 s GLN 36 Cb -0.26 0.31 0.56 0.00 1.00 0.00 0.00 33.01 34.62 2d86 s GLN 36 CO 0.71 -0.31 1.26 1.33 -2.12 0.00 0.00 175.29 176.17 2d86 n VAL 37 N -0.11 -0.34 0.14 1.09 0.24 -1.26 -0.02 118.33 118.07 2d86 n VAL 37 Ca -0.09 1.79 -0.16 0.00 -2.04 0.00 0.00 64.34 63.84 2d86 n VAL 37 Cb 0.63 -2.59 -0.10 0.00 -1.47 0.00 0.00 33.84 30.32 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 -1.46 -0.78 6.34 3.04 -1.96 0.30 116.94 122.42 2d86 h PHE 38 Ca 0.46 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.54 2d86 h PHE 38 Cb 0.90 0.61 -0.11 0.00 2.56 0.00 0.00 35.95 39.91 2d86 h PHE 38 CO -0.46 -0.59 -0.53 -0.44 -2.02 0.00 0.00 178.31 174.27 2d86 h ASP 39 N -0.76 -1.90 0.44 0.41 3.32 -0.84 1.36 116.42 118.45 2d86 h ASP 39 Ca -0.01 0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2d86 h ASP 39 Cb 0.75 0.84 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 2d86 h ASP 39 CO -0.24 -0.30 -0.00 0.25 -1.72 0.00 0.00 179.24 177.23 2d86 h LEU 40 N -0.14 0.00 0.00 1.55 5.85 -1.21 -1.10 115.31 120.26 2d86 h LEU 40 Ca 0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2d86 h LEU 40 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2d86 h LEU 40 CO -0.82 0.00 -0.51 0.00 -0.34 0.00 0.00 178.44 176.78 2d86 h ALA 41 N 2.00 0.76 0.09 1.25 0.00 0.54 -3.34 119.26 120.55 2d86 h ALA 41 Ca -0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2d86 h ALA 41 Cb 0.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2d86 h ALA 41 CO 0.00 0.10 -0.67 1.96 0.00 0.00 0.00 179.25 180.63 2d86 h GLN 42 N 0.00 0.19 -0.04 0.00 4.20 0.13 0.10 115.11 119.70 2d86 h GLN 42 Ca -0.01 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.39 2d86 h GLN 42 Cb 1.06 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 2d86 h GLN 42 CO 0.01 1.16 0.27 0.00 -0.67 0.00 0.00 178.83 179.59 2d86 h THR 43 N -0.58 0.06 0.00 -0.54 1.03 -1.61 -1.41 112.91 109.85 2d86 h THR 43 Ca -0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.01 2d86 h THR 43 Cb 1.45 0.74 -0.05 0.00 -1.07 0.00 0.00 68.15 69.23 2d86 h THR 43 CO 0.08 0.00 -1.96 0.18 -0.01 0.00 0.00 175.52 173.81 2d86 n LEU 44 N -3.04 0.68 -0.28 0.00 4.77 -1.24 -4.52 117.00 113.38 2d86 n LEU 44 Ca -0.01 -0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 2d86 n LEU 44 Cb 0.33 0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 2d86 n LEU 44 CO 0.17 0.44 0.57 -1.14 -1.33 0.00 0.00 177.39 176.10 2d86 n ARG 45 N -2.62 -0.07 0.03 3.23 0.63 0.02 1.00 116.66 118.88 2d86 n ARG 45 Ca -0.24 1.19 -0.10 0.00 -0.92 0.00 0.00 57.85 57.78 2d86 n ARG 45 Cb 0.92 -1.84 -0.04 0.00 0.45 0.00 0.00 32.46 31.95 2d86 n ARG 45 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2d86 h ASP 46 N 0.00 -0.68 0.00 6.15 5.19 -1.81 -3.43 116.42 121.84 2d86 h ASP 46 Ca 0.43 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2d86 h ASP 46 Cb 0.79 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2d86 h ASP 46 CO -0.77 -0.28 0.00 0.61 -3.12 0.00 0.00 179.24 175.68 2d86 n GLY 47 N -1.35 1.24 0.09 2.75 0.00 0.28 -4.39 105.19 103.80 2d86 n GLY 47 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.56 1.35 -0.08 1.61 0.31 -1.26 -4.36 118.33 114.35 2d86 n VAL 48 Ca 0.00 -0.80 -0.11 0.00 -0.01 0.00 0.00 64.34 63.43 2d86 n VAL 48 Cb 0.00 -0.65 -0.07 0.00 -0.91 0.00 0.00 33.84 32.21 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 0.00 -0.73 7.52 5.85 -1.87 -3.36 115.31 122.72 2d86 h LEU 49 Ca -0.39 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.03 2d86 h LEU 49 Cb 2.02 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.96 2d86 h LEU 49 CO 0.05 0.96 -0.42 0.18 -0.34 0.00 0.00 178.44 178.87 2d86 n LEU 50 N -4.60 -0.74 -0.32 2.25 4.77 -1.26 0.21 117.00 117.31 2d86 n LEU 50 Ca -0.13 1.30 0.16 0.00 -0.03 0.00 0.00 56.01 57.30 2d86 n LEU 50 Cb 0.37 -0.18 0.35 0.00 -2.33 0.00 0.00 43.42 41.63 2d86 n LEU 50 CO 0.16 -1.07 1.07 0.00 -1.33 0.00 0.00 177.39 176.22 2d86 h GLN 52 N 0.40 -0.18 -0.78 0.00 4.20 0.23 -2.71 115.11 116.27 2d86 h GLN 52 Ca 0.61 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.42 2d86 h GLN 52 Cb 1.21 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.92 2d86 h GLN 52 CO -0.55 -0.12 -0.38 -0.11 -0.67 0.00 0.00 178.83 177.00 2d86 n LEU 53 N -5.23 -0.67 -0.23 1.46 7.94 -0.02 0.13 117.00 120.37 2d86 n LEU 53 Ca -0.06 1.38 -0.06 0.00 -1.11 0.00 0.00 56.01 56.17 2d86 n LEU 53 Cb 0.15 -0.25 0.05 0.00 0.53 0.00 0.00 43.42 43.90 2d86 n LEU 53 CO 0.28 -1.18 1.13 -0.07 -1.11 0.00 0.00 177.39 176.44 2d86 h LEU 54 N 0.00 0.77 -2.77 -1.96 3.38 -1.54 -1.13 115.31 112.06 2d86 h LEU 54 Ca 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2d86 h LEU 54 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2d86 h LEU 54 CO -0.76 0.58 -0.00 0.78 0.09 0.00 0.00 178.44 179.13 2d86 h ASN 55 N 0.89 0.00 0.20 -0.43 2.35 0.13 0.69 115.58 119.41 2d86 h ASN 55 Ca 0.24 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.70 2d86 h ASN 55 Cb -0.07 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.33 2d86 h ASN 55 CO -0.05 0.00 -1.31 0.78 -1.65 0.00 0.00 177.43 175.21 2d86 h ASN 56 N 0.00 0.66 0.15 5.81 2.35 0.58 -3.38 115.58 121.75 2d86 h ASN 56 Ca -0.00 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 54.82 2d86 h ASN 56 Cb 0.02 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2d86 h ASN 56 CO 0.00 1.62 -0.07 -0.07 -1.65 0.00 0.00 177.43 177.26 2d86 h LEU 57 N -0.06 -0.17 -9.16 1.61 3.38 -0.88 -3.46 115.31 106.57 2d86 h LEU 57 Ca -0.24 -0.38 -0.65 0.00 0.09 0.00 0.00 57.88 56.70 2d86 h LEU 57 Cb 1.97 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 42.59 2d86 h LEU 57 CO 0.21 0.40 -0.78 -0.60 0.09 0.00 0.00 178.44 177.76 2d86 s ARG 58 N -3.33 1.80 0.29 1.13 3.52 0.16 -4.85 118.95 117.67 2d86 s ARG 58 Ca -0.13 -1.31 -0.16 0.00 -0.13 0.00 0.00 55.73 54.01 2d86 s ARG 58 Cb 0.00 -2.05 -0.09 0.00 -1.56 0.00 0.00 34.95 31.25 2d86 s ARG 58 CO 0.48 0.44 0.72 0.00 -0.81 0.00 0.00 175.30 176.13 2d86 s ALA 59 N -1.49 3.36 -1.52 6.12 0.00 -1.26 -3.94 121.76 123.03 2d86 s ALA 59 Ca 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 2d86 s ALA 59 Cb -0.09 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.28 2d86 s ALA 59 CO 0.12 0.34 0.38 0.72 0.00 0.00 0.00 175.76 177.32 2d86 n HIS 60 N -0.07 -1.65 0.01 0.00 8.25 -1.26 -4.88 115.22 115.62 2d86 n HIS 60 Ca 0.02 0.33 -0.18 0.00 -0.26 0.00 0.00 57.72 57.62 2d86 n HIS 60 Cb 0.53 -3.96 -0.10 0.00 1.12 0.00 0.00 29.99 27.57 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 -0.84 0.76 -3.47 0.41 0.02 -1.86 -3.46 113.55 105.11 2d86 h SER 61 Ca -0.48 -0.71 -0.15 0.00 -0.84 0.00 0.00 61.79 59.60 2d86 h SER 61 Cb 1.34 -0.23 -0.27 0.00 0.14 0.00 0.00 62.40 63.38 2d86 h SER 61 CO 0.54 1.37 -0.38 -0.63 -1.14 0.00 0.00 176.83 176.60 2d86 s ILE 62 N -3.40 -0.02 -0.68 3.27 1.01 -1.26 -4.83 121.20 115.29 2d86 s ILE 62 Ca -0.11 0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.35 2d86 s ILE 62 Cb 0.06 -0.48 0.03 0.00 0.01 0.00 0.00 42.46 42.08 2d86 s ILE 62 CO 0.88 0.03 1.22 0.21 0.00 0.00 0.00 174.94 177.28 2d86 s ASN 63 N 0.95 6.25 0.47 3.58 2.47 -1.26 -4.87 114.94 122.53 2d86 s ASN 63 Ca -0.06 -0.33 0.34 0.00 0.42 0.00 0.00 52.86 53.23 2d86 s ASN 63 Cb -0.07 -2.54 1.49 0.00 -1.45 0.00 0.00 41.25 38.67 2d86 s ASN 63 CO -0.07 -1.69 1.63 -0.07 -3.72 0.00 0.00 177.10 173.18 2d86 h LEU 64 N 12.52 0.18 -0.69 3.21 3.38 -1.99 1.42 115.31 133.34 2d86 h LEU 64 Ca -0.27 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2d86 h LEU 64 Cb 1.05 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2d86 h LEU 64 CO 1.24 -0.12 -0.11 0.11 0.09 0.00 0.00 178.44 179.65 2d86 h LYS 65 N 0.07 0.89 0.00 1.13 1.79 -2.03 -2.33 116.57 116.09 2d86 h LYS 65 Ca 0.82 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2d86 h LYS 65 Cb 2.75 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 33.34 2d86 h LYS 65 CO -0.30 0.96 0.00 0.93 -1.08 0.00 0.00 179.45 179.96 2d86 h GLU 66 N 0.80 0.00 -6.39 3.15 5.08 0.16 -3.42 114.58 113.96 2d86 h GLU 66 Ca 0.13 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.80 2d86 h GLU 66 Cb 0.63 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.65 2d86 h GLU 66 CO 0.04 0.00 -0.78 0.96 -1.00 0.00 0.00 179.01 178.23 2d86 s ILE 67 N -3.59 2.99 -0.92 3.13 -4.36 -0.88 -5.03 121.20 112.54 2d86 s ILE 67 Ca 0.00 -0.84 -0.24 0.00 -0.26 0.00 0.00 60.65 59.31 2d86 s ILE 67 Cb 0.09 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.62 2d86 s ILE 67 CO 0.39 0.52 1.63 0.20 0.24 0.00 0.00 174.94 177.92 2d86 s ASN 68 N -0.92 5.92 0.40 4.36 0.01 -1.26 -4.82 114.94 118.62 2d86 s ASN 68 Ca 0.12 -0.95 0.14 0.00 -0.71 0.00 0.00 52.86 51.47 2d86 s ASN 68 Cb -0.11 -2.56 0.99 0.00 0.41 0.00 0.00 41.25 39.98 2d86 s ASN 68 CO 0.02 -2.02 1.86 -0.07 -1.51 0.00 0.00 177.10 175.38 2d86 h LEU 69 N 14.78 0.49 -7.04 0.60 3.38 -1.93 -3.19 115.31 122.40 2d86 h LEU 69 Ca 0.08 0.04 -0.62 0.00 0.09 0.00 0.00 57.88 57.47 2d86 h LEU 69 Cb 1.02 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 41.31 2d86 h LEU 69 CO 1.32 0.22 -0.63 -0.60 0.09 0.00 0.00 178.44 178.84 2d86 s ARG 70 N -5.51 2.16 0.15 1.13 6.06 -1.26 -4.87 118.95 116.81 2d86 s ARG 70 Ca -0.09 -3.05 0.20 0.00 -2.50 0.00 0.00 55.73 50.29 2d86 s ARG 70 Cb 0.22 -3.13 0.83 0.00 0.06 0.00 0.00 34.95 32.93 2d86 s ARG 70 CO 0.78 -1.27 1.60 -0.35 -2.50 0.00 0.00 175.30 173.57 2d86 n PRO 71 N 2.30 0.11 -3.76 5.12 -0.04 -1.21 -4.88 135.00 132.64 2d86 n PRO 71 Ca 0.18 0.35 -0.28 0.00 -0.04 0.00 0.00 63.50 63.71 2d86 n PRO 71 Cb 0.36 -1.72 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.93 -5.56 -3.28 0.54 6.02 -1.26 -1.79 117.38 110.12 2d86 n GLN 72 Ca 0.03 0.63 -0.15 0.00 -0.01 0.00 0.00 57.00 57.50 2d86 n GLN 72 Cb 0.20 -5.53 0.08 0.00 1.02 0.00 0.00 30.24 26.01 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 -4.59 -5.84 -4.02 -1.09 2.81 -1.26 -5.00 117.12 98.13 2d86 n MET 73 Ca 0.03 0.76 -0.35 0.00 -1.81 0.00 0.00 57.70 56.33 2d86 n MET 73 Cb 0.54 -5.52 -0.11 0.00 -0.71 0.00 0.00 33.22 27.41 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 -4.20 5.25 0.26 7.83 0.01 -0.74 -4.99 113.70 117.12 2d86 s SER 74 Ca 0.01 -0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.16 2d86 s SER 74 Cb -0.00 -1.91 0.31 0.00 0.21 0.00 0.00 66.02 64.63 2d86 s SER 74 CO 0.65 0.10 1.83 -0.61 0.41 0.00 0.00 173.24 175.63 2d86 h GLN 75 N 7.23 1.02 0.18 12.44 4.15 -1.94 0.30 115.11 138.49 2d86 h GLN 75 Ca -0.36 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 2d86 h GLN 75 Cb 1.18 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2d86 h GLN 75 CO 0.64 0.83 -0.09 0.74 -1.93 0.00 0.00 178.83 179.03 2d86 h PHE 76 N 1.00 -0.23 -0.42 3.99 0.04 -1.97 -1.17 116.94 118.19 2d86 h PHE 76 Ca 0.23 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 2d86 h PHE 76 Cb 0.19 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2d86 h PHE 76 CO 0.02 0.17 0.21 -0.07 -0.60 0.00 0.00 178.31 178.04 2d86 h LEU 77 N -0.72 0.53 0.64 1.54 3.38 -1.89 -2.21 115.31 116.59 2d86 h LEU 77 Ca -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2d86 h LEU 77 Cb 0.50 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2d86 h LEU 77 CO 0.04 0.49 -0.31 0.00 0.09 0.00 0.00 178.44 178.75 2d86 h LEU 79 N -0.87 -0.72 0.03 0.00 3.38 -1.24 0.12 115.31 116.00 2d86 h LEU 79 Ca -0.09 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2d86 h LEU 79 Cb 0.66 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2d86 h LEU 79 CO 0.14 -0.28 -0.08 0.50 0.09 0.00 0.00 178.44 178.82 2d86 h LYS 80 N 0.01 -0.14 -0.41 1.13 3.11 -1.31 -2.98 116.57 115.97 2d86 h LYS 80 Ca 0.42 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.32 2d86 h LYS 80 Cb 0.68 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.86 2d86 h LYS 80 CO -0.86 -0.10 -0.53 -0.91 -2.81 0.00 0.00 179.45 174.25 2d86 h ASN 81 N -0.15 -1.78 -0.89 4.20 2.35 0.70 -0.00 115.58 120.01 2d86 h ASN 81 Ca 0.02 0.23 0.21 0.00 -0.55 0.00 0.00 56.30 56.22 2d86 h ASN 81 Cb 0.17 0.73 -0.16 0.00 0.05 0.00 0.00 38.32 39.11 2d86 h ASN 81 CO -0.06 -0.37 -0.06 0.40 -1.65 0.00 0.00 177.43 175.69 2d86 h ILE 82 N -0.36 0.15 -0.64 2.81 2.04 -1.29 0.45 117.51 120.67 2d86 h ILE 82 Ca 0.07 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2d86 h ILE 82 Cb 0.55 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2d86 h ILE 82 CO -0.58 0.01 0.41 0.03 0.00 0.00 0.00 178.15 178.02 2d86 h ARG 83 N 0.04 0.80 -0.97 2.37 3.08 -0.90 -2.03 114.38 116.76 2d86 h ARG 83 Ca 0.49 -0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.68 2d86 h ARG 83 Cb 0.88 -0.18 -0.09 0.00 0.08 0.00 0.00 29.97 30.67 2d86 h ARG 83 CO -0.84 0.53 0.61 1.15 -1.07 0.00 0.00 179.97 180.35 2d86 h THR 84 N 0.82 0.72 0.10 2.04 2.02 0.11 -1.29 112.91 117.44 2d86 h THR 84 Ca 0.24 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2d86 h THR 84 Cb -0.04 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 2d86 h THR 84 CO -0.08 0.12 -0.05 0.15 0.37 0.00 0.00 175.52 176.03 2d86 h PHE 85 N 0.66 -0.13 -0.88 3.16 3.04 -0.96 -3.08 116.94 118.75 2d86 h PHE 85 Ca 0.53 -0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.73 2d86 h PHE 85 Cb 0.96 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.48 2d86 h PHE 85 CO -0.00 0.36 0.63 -0.07 -2.02 0.00 0.00 178.31 177.20 2d86 h LEU 86 N -0.71 0.02 0.15 0.59 3.38 -0.84 -0.87 115.31 117.02 2d86 h LEU 86 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2d86 h LEU 86 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2d86 h LEU 86 CO 0.02 0.01 -0.07 0.74 0.09 0.00 0.00 178.44 179.23 2d86 h THR 87 N 0.02 1.01 -0.62 0.22 2.02 -1.21 -3.10 112.91 111.24 2d86 h THR 87 Ca 0.42 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.90 2d86 h THR 87 Cb 1.66 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 69.52 2d86 h THR 87 CO -0.01 0.18 0.41 0.00 0.37 0.00 0.00 175.52 176.48 2d86 h ALA 88 N 0.18 1.98 0.00 6.16 0.00 -1.09 0.24 119.26 126.72 2d86 h ALA 88 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2d86 h ALA 88 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2d86 h ALA 88 CO 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2d86 n GLU 91 N -1.74 0.52 0.34 0.00 -0.58 0.55 -3.51 120.64 116.22 2d86 n GLU 91 Ca -0.01 0.43 -0.14 0.00 -0.42 0.00 0.00 57.16 57.02 2d86 n GLU 91 Cb 0.23 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 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 0.01 0.00 2.62 2.02 -0.32 -3.40 112.91 112.85 2d86 h THR 92 Ca -0.21 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2d86 h THR 92 Cb 1.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2d86 h THR 92 CO -0.12 0.00 -0.21 -0.26 0.37 0.00 0.00 175.52 175.30 2d86 h PHE 93 N -1.23 0.00 0.00 3.16 -1.00 -1.64 -3.50 116.94 112.72 2d86 h PHE 93 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 2d86 h PHE 93 Cb 0.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 2d86 h PHE 93 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 2d86 n GLY 94 N 1.73 0.76 3.94 -1.45 0.00 -0.97 -4.94 105.19 104.25 2d86 n GLY 94 Ca -0.03 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.42 2.29 -0.29 1.61 -1.94 0.83 -4.93 119.30 115.45 2d86 s MET 95 Ca 0.00 -1.87 -0.29 0.00 -1.71 0.00 0.00 55.69 51.82 2d86 s MET 95 Cb 0.00 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.57 2d86 s MET 95 CO 0.00 -0.65 1.18 1.03 -0.01 0.00 0.00 175.02 176.57 2d86 s ARG 96 N -4.37 4.03 0.48 2.03 1.81 -1.26 -4.68 118.95 116.98 2d86 s ARG 96 Ca 0.43 1.21 0.16 0.00 -1.72 0.00 0.00 55.73 55.80 2d86 s ARG 96 Cb -0.03 -3.79 1.16 0.00 -0.45 0.00 0.00 34.95 31.83 2d86 s ARG 96 CO 0.27 -0.96 2.05 -0.22 -0.68 0.00 0.00 175.30 175.76 2d86 h LYS 97 N 8.55 0.21 0.00 3.54 3.64 -1.96 0.13 116.57 130.68 2d86 h LYS 97 Ca -0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2d86 h LYS 97 Cb 1.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2d86 h LYS 97 CO 1.03 0.14 0.00 0.77 -2.27 0.00 0.00 179.45 179.11 2d86 h SER 98 N 0.21 0.00 0.29 4.20 0.02 -2.02 -2.68 113.55 113.57 2d86 h SER 98 Ca 0.16 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.78 2d86 h SER 98 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2d86 h SER 98 CO -0.03 0.00 -1.78 -0.33 -1.14 0.00 0.00 176.83 173.55 2d86 h GLU 99 N 0.00 0.24 -6.73 3.45 4.39 -1.15 -3.47 114.58 111.32 2d86 h GLU 99 Ca 0.00 -0.42 -0.54 0.00 0.34 0.00 0.00 59.36 58.74 2d86 h GLU 99 Cb 0.31 0.16 0.21 0.00 -0.10 0.00 0.00 28.75 29.33 2d86 h GLU 99 CO 0.00 1.09 -0.60 1.28 -1.16 0.00 0.00 179.01 179.63 2d86 n LEU 100 N -3.43 -0.27 -4.93 1.33 4.77 -1.01 -4.80 117.00 108.66 2d86 n LEU 100 Ca -0.24 0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 2d86 n LEU 100 Cb 1.05 -1.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2d86 n LEU 100 CO 0.47 -3.64 0.28 0.72 -1.33 0.00 0.00 177.39 173.88 2d86 s PHE 101 N -2.28 3.52 1.14 -1.77 -0.71 -1.26 -5.04 117.98 111.58 2d86 s PHE 101 Ca 0.58 0.54 -0.19 0.00 -1.04 0.00 0.00 56.93 56.81 2d86 s PHE 101 Cb -0.24 -2.06 0.29 0.00 -1.21 0.00 0.00 43.02 39.81 2d86 s PHE 101 CO 0.66 -0.03 0.87 0.39 -1.34 0.00 0.00 175.22 175.77 2d86 n GLU 102 N -1.93 -3.49 -0.06 1.99 -0.58 -1.26 -5.00 120.64 110.30 2d86 n GLU 102 Ca -0.03 -1.41 -0.19 0.00 -0.42 0.00 0.00 57.16 55.11 2d86 n GLU 102 Cb 0.56 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.79 2d86 n GLU 102 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d86 n ALA 103 N -4.94 1.18 -0.02 0.62 0.00 -1.26 -4.45 120.51 111.64 2d86 n ALA 103 Ca -0.17 -0.85 -0.16 0.00 0.00 0.00 0.00 53.44 52.26 2d86 n ALA 103 Cb 0.51 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 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 0.04 0.48 -0.87 0.00 3.57 -1.97 -2.73 116.94 115.45 2d86 h PHE 104 Ca -0.48 -0.23 0.34 0.00 3.53 0.00 0.00 57.97 61.12 2d86 h PHE 104 Cb 1.99 -0.07 -0.16 0.00 2.79 0.00 0.00 35.95 40.51 2d86 h PHE 104 CO 0.05 1.01 0.36 -0.40 -2.23 0.00 0.00 178.31 177.10 2d86 n ASP 105 N -4.37 0.21 -0.08 0.41 5.75 -1.26 -0.13 116.55 117.08 2d86 n ASP 105 Ca -0.09 1.45 -0.14 0.00 -0.01 0.00 0.00 54.79 56.00 2d86 n ASP 105 Cb 0.56 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.88 2d86 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2d86 h LEU 106 N 0.00 0.00 -0.39 -2.12 5.85 -1.77 0.19 115.31 117.06 2d86 h LEU 106 Ca 0.69 -0.64 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2d86 h LEU 106 Cb 1.75 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.70 2d86 h LEU 106 CO -0.71 1.08 -0.48 0.15 -0.34 0.00 0.00 178.44 178.14 2d86 h PHE 107 N -1.00 -1.44 -0.16 1.25 3.57 -0.48 0.48 116.94 119.15 2d86 h PHE 107 Ca -0.11 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2d86 h PHE 107 Cb 0.94 0.68 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2d86 h PHE 107 CO 0.15 -0.47 0.00 -0.25 -2.23 0.00 0.00 178.31 175.51 2d86 n ASP 108 N -5.40 2.02 -3.86 0.41 9.92 0.81 -4.87 116.55 115.58 2d86 n ASP 108 Ca -0.02 -2.20 -0.32 0.00 -0.53 0.00 0.00 54.79 51.72 2d86 n ASP 108 Cb 0.35 -0.47 -0.06 0.00 -0.64 0.00 0.00 41.12 40.30 2d86 n ASP 108 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2d86 n VAL 109 N 0.15 -0.09 0.03 2.53 0.31 0.17 -4.81 118.33 116.61 2d86 n VAL 109 Ca 0.07 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2d86 n VAL 109 Cb 0.44 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.73 -0.09 -3.24 5.55 2.47 -0.85 -3.41 114.38 114.08 2d86 h ARG 110 Ca -0.47 0.01 -0.64 0.00 -1.26 0.00 0.00 59.98 57.62 2d86 h ARG 110 Cb 1.07 0.02 -0.41 0.00 -1.65 0.00 0.00 29.97 29.00 2d86 h ARG 110 CO 0.68 -0.06 -0.56 0.34 0.56 0.00 0.00 179.97 180.92 2d86 s ASP 111 N -2.76 4.69 0.25 7.04 -1.08 -1.18 -4.92 116.67 118.71 2d86 s ASP 111 Ca -0.01 -3.46 -0.03 0.00 -0.52 0.00 0.00 52.55 48.53 2d86 s ASP 111 Cb 0.00 -1.66 0.32 0.00 -1.46 0.00 0.00 42.92 40.11 2d86 s ASP 111 CO 0.04 -0.16 1.76 0.15 0.52 0.00 0.00 175.17 177.48 2d86 h PHE 112 N 5.95 0.88 -1.03 -5.34 3.57 -1.80 -2.90 116.94 116.28 2d86 h PHE 112 Ca 0.04 -0.12 0.27 0.00 3.53 0.00 0.00 57.97 61.70 2d86 h PHE 112 Cb 0.82 -0.24 -0.12 0.00 2.79 0.00 0.00 35.95 39.20 2d86 h PHE 112 CO 0.62 0.80 0.62 0.78 -2.23 0.00 0.00 178.31 178.89 2d86 h GLY 113 N 0.98 1.75 1.44 2.40 0.00 -1.97 0.44 103.07 108.12 2d86 h GLY 113 Ca 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2d86 h GLY 113 CO 0.02 -0.26 0.24 0.50 0.00 0.00 0.00 176.54 177.04 2d86 h LYS 114 N 0.48 0.72 -0.21 4.80 1.57 -1.94 -2.40 116.57 119.59 2d86 h LYS 114 Ca 0.65 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 59.15 2d86 h LYS 114 Cb 1.41 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2d86 h LYS 114 CO -0.45 0.57 -0.66 0.28 -0.57 0.00 0.00 179.45 178.62 2d86 h VAL 115 N 0.73 1.28 0.02 0.50 2.07 -0.28 -3.02 116.25 117.56 2d86 h VAL 115 Ca 0.18 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.85 2d86 h VAL 115 Cb 0.08 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2d86 h VAL 115 CO -0.02 0.60 -0.08 0.40 0.02 0.00 0.00 177.57 178.48 2d86 h ILE 116 N 0.58 0.80 -0.94 4.57 2.04 -0.90 -2.51 117.51 121.16 2d86 h ILE 116 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2d86 h ILE 116 Cb 1.27 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 2d86 h ILE 116 CO 0.14 0.00 0.59 -0.08 0.00 0.00 0.00 178.15 178.80 2d86 h GLU 117 N -0.15 1.00 -1.11 2.37 4.57 -1.50 -1.55 114.58 118.20 2d86 h GLU 117 Ca 0.02 -0.06 0.33 0.00 -1.18 0.00 0.00 59.36 58.47 2d86 h GLU 117 Cb 0.18 -0.23 -0.12 0.00 -0.16 0.00 0.00 28.75 28.42 2d86 h GLU 117 CO -0.06 0.66 0.70 1.15 -1.18 0.00 0.00 179.01 180.27 2d86 h THR 118 N 1.03 0.34 -0.03 0.32 2.02 -1.31 0.95 112.91 116.24 2d86 h THR 118 Ca 0.43 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.46 2d86 h THR 118 Cb 0.27 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2d86 h THR 118 CO -0.20 0.05 -0.18 -0.07 0.37 0.00 0.00 175.52 175.49 2d86 h LEU 119 N 0.29 0.21 -0.74 2.58 3.38 -1.29 -3.12 115.31 116.61 2d86 h LEU 119 Ca 0.70 -0.69 0.21 0.00 0.09 0.00 0.00 57.88 58.19 2d86 h LEU 119 Cb 1.86 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.41 2d86 h LEU 119 CO -0.42 0.86 0.03 -0.24 0.09 0.00 0.00 178.44 178.77 2d86 n SER 120 N -4.57 -0.07 0.16 -0.43 2.88 0.32 -0.46 113.62 111.45 2d86 n SER 120 Ca -0.09 1.26 -0.08 0.00 -1.33 0.00 0.00 58.87 58.63 2d86 n SER 120 Cb 0.44 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 2d86 n SER 120 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2d86 h ARG 121 N 0.00 -0.47 -0.90 -1.46 3.08 -1.60 -3.18 114.38 109.85 2d86 h ARG 121 Ca 0.46 0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.80 2d86 h ARG 121 Cb 0.97 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 2d86 h ARG 121 CO -0.69 -0.29 1.10 1.25 -1.07 0.00 0.00 179.97 180.26 2d86 h LEU 122 N -1.12 0.00 -0.55 3.04 5.85 -0.70 1.89 115.31 123.72 2d86 h LEU 122 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2d86 h LEU 122 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2d86 h LEU 122 CO 0.08 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.64 2d86 n SER 123 N -3.28 0.54 -0.00 1.25 3.41 0.05 -2.82 113.62 112.77 2d86 n SER 123 Ca 0.20 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.90 2d86 n SER 123 Cb 1.38 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.98 2d86 n SER 123 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2d86 n ARG 124 N -0.22 1.04 -1.38 4.33 0.00 0.64 -4.61 116.66 116.46 2d86 n ARG 124 Ca 0.00 -0.08 -0.35 0.00 -0.00 0.00 0.00 57.85 57.43 2d86 n ARG 124 Cb 0.14 -1.19 0.10 0.00 -0.00 0.00 0.00 32.46 31.51 2d86 n ARG 124 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2d86 s THR 125 N -2.56 2.04 -2.00 8.89 -4.23 -1.13 -4.86 115.64 111.80 2d86 s THR 125 Ca -0.02 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 2d86 s THR 125 Cb 0.07 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.52 2d86 s THR 125 CO 0.43 -0.01 1.02 -0.81 -0.54 0.00 0.00 174.62 174.71 2d86 n PRO 126 N -2.72 0.48 -0.07 3.99 -0.04 -1.26 -2.34 135.00 133.05 2d86 n PRO 126 Ca 0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2d86 n PRO 126 Cb 0.49 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.81 0.90 0.08 0.52 -0.00 -1.26 -3.86 119.36 114.91 2d86 n ILE 127 Ca 0.07 -0.54 -0.17 0.00 -0.00 0.00 0.00 62.75 62.12 2d86 n ILE 127 Cb 0.03 -0.68 -0.09 0.00 -0.00 0.00 0.00 39.64 38.90 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 0.60 0.21 0.13 -1.39 0.00 -1.73 -3.33 119.26 113.75 2d86 h ALA 128 Ca -0.35 -0.75 -0.28 0.00 0.00 0.00 0.00 54.91 53.52 2d86 h ALA 128 Cb 1.79 0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.63 2d86 h ALA 128 CO 0.01 0.80 -1.17 -0.07 0.00 0.00 0.00 179.25 178.82 2d86 h LEU 129 N 0.24 0.81 -1.08 0.00 3.38 -1.77 -3.29 115.31 113.60 2d86 h LEU 129 Ca -0.12 -0.84 0.42 0.00 0.09 0.00 0.00 57.88 57.43 2d86 h LEU 129 Cb 1.73 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 42.07 2d86 h LEU 129 CO 0.19 1.57 0.63 0.00 0.09 0.00 0.00 178.44 180.92 2d86 n ALA 130 N -2.68 1.09 -0.22 1.53 0.00 -1.25 0.21 120.51 119.19 2d86 n ALA 130 Ca -0.14 0.93 -0.07 0.00 0.00 0.00 0.00 53.44 54.16 2d86 n ALA 130 Cb 0.96 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 19.49 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 1.26 0.00 0.00 1.35 -1.70 -3.47 112.91 110.35 2d86 h THR 131 Ca 0.82 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2d86 h THR 131 Cb 2.34 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2d86 h THR 131 CO -0.64 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 175.61 2d86 n GLY 132 N -0.65 1.57 3.80 5.82 0.00 0.57 -5.08 105.19 111.22 2d86 n GLY 132 Ca 0.05 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 4.64 -0.71 -0.61 1.01 -1.26 -4.89 121.20 117.38 2d86 s ILE 133 Ca 0.00 1.37 -0.17 0.00 0.00 0.00 0.00 60.65 61.84 2d86 s ILE 133 Cb 0.00 -3.97 -0.18 0.00 0.01 0.00 0.00 42.46 38.32 2d86 s ILE 133 CO 0.00 0.53 1.80 0.54 0.00 0.00 0.00 174.94 177.81 2d86 n ARG 134 N 1.77 0.00 -2.26 2.79 1.74 -1.26 -4.81 116.66 114.63 2d86 n ARG 134 Ca -0.09 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.63 2d86 n ARG 134 Cb 0.50 -0.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.98 2d86 n ARG 134 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d86 s PRO 135 N 5.95 3.70 0.60 5.56 0.04 -1.26 -4.89 135.00 144.70 2d86 s PRO 135 Ca 0.95 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 63.55 2d86 s PRO 135 Cb -0.81 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2d86 s PRO 135 CO 0.36 -0.60 1.28 1.19 0.04 0.00 0.00 177.00 179.28 2d86 n PHE 136 N -0.61 1.96 -1.12 0.56 3.01 -1.26 -5.00 117.46 115.01 2d86 n PHE 136 Ca 0.08 0.43 -0.29 0.00 1.01 0.00 0.00 57.45 58.67 2d86 n PHE 136 Cb 0.48 -2.29 0.22 0.00 -0.01 0.00 0.00 39.48 37.88 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 -3.07 -0.59 -1.01 -1.08 0.04 -1.26 -4.85 135.00 123.18 2d86 s PRO 137 Ca 0.77 0.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 2d86 s PRO 137 Cb -0.40 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2d86 s PRO 137 CO 0.45 -3.34 2.02 0.45 0.04 0.00 0.00 177.00 176.62 2d86 s SER 138 N -3.71 4.75 0.91 6.66 0.15 -1.26 -4.94 113.70 116.26 2d86 s SER 138 Ca 0.69 -0.97 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 2d86 s SER 138 Cb -0.13 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 61.74 2d86 s SER 138 CO 0.57 -3.24 1.14 -0.83 1.20 0.00 0.00 173.24 172.08 2d86 s GLY 139 N 7.90 1.58 -0.04 9.45 0.00 -1.26 -4.98 107.32 119.98 2d86 s GLY 139 Ca 0.74 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.61 2d86 s GLY 139 CO 0.07 0.01 1.48 2.56 0.00 0.00 0.00 173.10 177.22 2d86 s PRO 140 N -5.31 4.24 -0.30 2.90 0.04 -1.26 -4.99 135.00 130.32 2d86 s PRO 140 Ca 0.64 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.61 2d86 s PRO 140 Cb -0.14 -3.73 0.15 0.00 0.04 0.00 0.00 34.50 30.82 2d86 s PRO 140 CO 0.53 -0.69 0.67 0.45 0.04 0.00 0.00 177.00 178.00 2d86 s SER 141 N 2.37 -1.16 1.11 6.66 0.15 -1.26 -5.17 113.70 116.41 2d86 s SER 141 Ca 0.66 1.35 -0.15 0.00 0.70 0.00 0.00 55.95 58.51 2d86 s SER 141 Cb -0.31 2.22 0.24 0.00 -1.71 0.00 0.00 66.02 66.46 2d86 s SER 141 CO 0.26 -0.22 1.08 -0.44 1.20 0.00 0.00 173.24 175.12 2d86 s SER 142 N 2.86 1.66 0.00 5.45 0.01 -1.26 -5.28 113.70 117.15 2d86 s SER 142 Ca 0.00 1.04 0.27 0.00 1.31 0.00 0.00 55.95 58.57 2d86 s SER 142 Cb -0.12 -1.59 0.75 0.00 0.21 0.00 0.00 66.02 65.26 2d86 s SER 142 CO -0.19 -3.71 1.58 0.61 0.41 0.00 0.00 173.24 171.93